smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCc3c2cccc3F)cc1 ZINC000746492062 735487799 /nfs/dbraw/zinc/48/77/99/735487799.db2.gz NTNICKTWGRKZFJ-UHFFFAOYSA-N -1 1 363.370 2.504 20 30 FFEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC#Cc1ccccc1Cl ZINC000747031261 735526147 /nfs/dbraw/zinc/52/61/47/735526147.db2.gz YFPWHWWOMVDAFL-UHFFFAOYSA-N -1 1 369.851 2.982 20 30 FFEDMM N#C[C@@H](C(=O)[C@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000121890997 728641438 /nfs/dbraw/zinc/64/14/38/728641438.db2.gz SECKXTDFSYHDPL-NWDGAFQWSA-N -1 1 357.435 2.609 20 30 FFEDMM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000778829558 738415286 /nfs/dbraw/zinc/41/52/86/738415286.db2.gz XCADZJIPLMEITP-LLVKDONJSA-N -1 1 368.227 2.901 20 30 FFEDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1C ZINC000432955015 729869766 /nfs/dbraw/zinc/86/97/66/729869766.db2.gz KPUMWSGAGAOSEP-UHFFFAOYSA-N -1 1 369.244 2.716 20 30 FFEDMM C#CC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000859427381 730454462 /nfs/dbraw/zinc/45/44/62/730454462.db2.gz BIMLMGFBRKIYDG-VIFPVBQESA-N -1 1 355.765 2.675 20 30 FFEDMM Cc1c2c(nc(SCc3nc4c(c(=O)[n-]3)COCC4)c1C#N)CCC2 ZINC000865348585 730944939 /nfs/dbraw/zinc/94/49/39/730944939.db2.gz VZMMSKVEMXLUKS-UHFFFAOYSA-N -1 1 354.435 2.611 20 30 FFEDMM C=C(C)[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)c1ccc(F)c(F)c1 ZINC000867122864 731146503 /nfs/dbraw/zinc/14/65/03/731146503.db2.gz RXUOFRWUPNFMKX-YEJXKQKISA-N -1 1 352.428 2.534 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869736499 731434190 /nfs/dbraw/zinc/43/41/90/731434190.db2.gz IWMAAPNNWBRIDR-APPDUMDISA-N -1 1 352.818 2.574 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000872489389 731779400 /nfs/dbraw/zinc/77/94/00/731779400.db2.gz UCUVXQGSJVYWHS-YEJXKQKISA-N -1 1 362.904 2.745 20 30 FFEDMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000740811554 735089397 /nfs/dbraw/zinc/08/93/97/735089397.db2.gz NADSKSSJJCVHDH-UHFFFAOYSA-N -1 1 359.407 2.870 20 30 FFEDMM COc1ccccc1/C=C\C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748254556 735630703 /nfs/dbraw/zinc/63/07/03/735630703.db2.gz BOXNVQAOAKYWPE-UCBKFULHSA-N -1 1 361.379 2.581 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CSCc2ccccc21 ZINC000748254774 735630729 /nfs/dbraw/zinc/63/07/29/735630729.db2.gz GIKKTMFCPSSMIZ-UHFFFAOYSA-N -1 1 363.420 2.524 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCC(C)(C)O2)cc1 ZINC000901608184 735803105 /nfs/dbraw/zinc/80/31/05/735803105.db2.gz BNMSLWFOUZUPJF-MRXNPFEDSA-N -1 1 366.483 2.692 20 30 FFEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccc2c1OC(C)(C)C[C@H]2O ZINC000901961683 735879144 /nfs/dbraw/zinc/87/91/44/735879144.db2.gz GPOVQOAMOQXWMA-CQSZACIVSA-N -1 1 352.456 2.963 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC2(CCOCC2)CC1 ZINC000751528688 735890617 /nfs/dbraw/zinc/89/06/17/735890617.db2.gz HFWLIOSCNFTUHV-UHFFFAOYSA-N -1 1 367.427 2.600 20 30 FFEDMM CC1N=NC(=S)N1c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000753015330 736031198 /nfs/dbraw/zinc/03/11/98/736031198.db2.gz KTSLAIHCKJJIHG-UHFFFAOYSA-N -1 1 371.447 2.537 20 30 FFEDMM COCC(C)(C)C=Nn1c(SCC(=O)[O-])nnc1-c1ccoc1C ZINC000754917756 736215496 /nfs/dbraw/zinc/21/54/96/736215496.db2.gz LZSWEELVRHWYSJ-UHFFFAOYSA-N -1 1 352.416 2.530 20 30 FFEDMM CCN(C(C)=O)c1nc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cs1 ZINC000757471446 736406451 /nfs/dbraw/zinc/40/64/51/736406451.db2.gz CISKFPKQVKMOIG-ALCCZGGFSA-N -1 1 360.391 2.816 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2c(s1)CCC2 ZINC000764695805 737041842 /nfs/dbraw/zinc/04/18/42/737041842.db2.gz CQKFNCYNOUOTSV-UHFFFAOYSA-N -1 1 365.436 2.848 20 30 FFEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914371925 737567810 /nfs/dbraw/zinc/56/78/10/737567810.db2.gz IIPCNBINLVFQQO-MRVPVSSYSA-N -1 1 365.224 2.567 20 30 FFEDMM C#CCSCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000771182034 737703547 /nfs/dbraw/zinc/70/35/47/737703547.db2.gz LZKLKLBRCOFJLQ-UHFFFAOYSA-N -1 1 374.734 2.809 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2cnn(-c3ccc(Br)cc3)c2)n1 ZINC000917529581 737763043 /nfs/dbraw/zinc/76/30/43/737763043.db2.gz RUQGNMJZEBOQJG-UHFFFAOYSA-N -1 1 373.214 2.885 20 30 FFEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC#Cc1cccc(Cl)c1 ZINC000773141315 737875017 /nfs/dbraw/zinc/87/50/17/737875017.db2.gz UEOBGJOQEKSCAV-UHFFFAOYSA-N -1 1 369.851 2.982 20 30 FFEDMM N#CCCCOc1cccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000773830792 737937843 /nfs/dbraw/zinc/93/78/43/737937843.db2.gz MUSXQOHROYHOHS-UHFFFAOYSA-N -1 1 353.407 2.953 20 30 FFEDMM CC(C)(CNN=Cc1cc(Cl)c2ccccc2c1[O-])S(C)(=O)=O ZINC000774483208 737993516 /nfs/dbraw/zinc/99/35/16/737993516.db2.gz IQHVDNPZMVYDKJ-UHFFFAOYSA-N -1 1 354.859 2.946 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000775298506 738081862 /nfs/dbraw/zinc/08/18/62/738081862.db2.gz WGKPLLQJTALVAE-UHFFFAOYSA-N -1 1 359.403 2.814 20 30 FFEDMM C=CC[C@H](CO)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000775563659 738102028 /nfs/dbraw/zinc/10/20/28/738102028.db2.gz GQVUTHYMNJBUHZ-LBPRGKRZSA-N -1 1 350.415 2.654 20 30 FFEDMM N#CCOc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777990458 738339753 /nfs/dbraw/zinc/33/97/53/738339753.db2.gz KWEVCMFPAVFQSK-UHFFFAOYSA-N -1 1 372.233 2.769 20 30 FFEDMM CCNC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000794607188 739909660 /nfs/dbraw/zinc/90/96/60/739909660.db2.gz HOBOBUWOHNHNIO-UHFFFAOYSA-N -1 1 358.423 2.525 20 30 FFEDMM Cc1cc(S(=O)(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1C(=O)[O-] ZINC000795347105 740007567 /nfs/dbraw/zinc/00/75/67/740007567.db2.gz FPSWMTWPWYNNAN-LBPRGKRZSA-N -1 1 360.391 2.785 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000797842320 740279620 /nfs/dbraw/zinc/27/96/20/740279620.db2.gz YMUQOIGJGKHOAW-GXSJLCMTSA-N -1 1 351.255 2.648 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000800965079 740572363 /nfs/dbraw/zinc/57/23/63/740572363.db2.gz CAMXPXGHBSWRDE-UHFFFAOYSA-N -1 1 357.800 2.660 20 30 FFEDMM C=C(COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)OCC ZINC000801360667 740613416 /nfs/dbraw/zinc/61/34/16/740613416.db2.gz LHPVZZRDJXCLHK-UHFFFAOYSA-N -1 1 350.758 2.507 20 30 FFEDMM N#Cc1ccc(N2CC[C@@H](C(=O)Nc3nc(Cl)ccc3[O-])C2)c(F)c1 ZINC000804614027 740889098 /nfs/dbraw/zinc/88/90/98/740889098.db2.gz GFSDGVQBQPQIGQ-LLVKDONJSA-N -1 1 360.776 2.916 20 30 FFEDMM C#CCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829968 741016367 /nfs/dbraw/zinc/01/63/67/741016367.db2.gz SDINFQCHCZLVQF-HOCLYGCPSA-N -1 1 354.372 2.903 20 30 FFEDMM CCO[C@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)[C@H]1SC ZINC000807970979 741175127 /nfs/dbraw/zinc/17/51/27/741175127.db2.gz DLNAEWVDHYFMQO-NWDGAFQWSA-N -1 1 364.475 2.595 20 30 FFEDMM COc1cc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)ccc1C#N ZINC000810082748 741383330 /nfs/dbraw/zinc/38/33/30/741383330.db2.gz PDBQNETXRAQYPJ-UHFFFAOYSA-N -1 1 372.233 2.747 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cscc2C(F)(F)F)c2ccccc21 ZINC000811638692 741544923 /nfs/dbraw/zinc/54/49/23/741544923.db2.gz WSFULDXALBMMOM-UHFFFAOYSA-N -1 1 359.354 2.840 20 30 FFEDMM CC(=NNc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000812228687 741598396 /nfs/dbraw/zinc/59/83/96/741598396.db2.gz BVIYLALCCJMLDB-UHFFFAOYSA-N -1 1 351.403 2.618 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000819509843 742400058 /nfs/dbraw/zinc/40/00/58/742400058.db2.gz IRZKXLWCMGLNRA-SNVBAGLBSA-N -1 1 368.821 2.966 20 30 FFEDMM C=C(CC)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000832633444 745729837 /nfs/dbraw/zinc/72/98/37/745729837.db2.gz DJQVHYDUWFCMFY-UHFFFAOYSA-N -1 1 367.196 2.741 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CC[C@@](C)(C#N)CC2)o1 ZINC000836158518 746155584 /nfs/dbraw/zinc/15/55/84/746155584.db2.gz WCYZKDFDFBAELQ-LAUQKZGBSA-N -1 1 368.455 2.986 20 30 FFEDMM C#CC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)OC ZINC000843906659 747925766 /nfs/dbraw/zinc/92/57/66/747925766.db2.gz QGQADEAKFVRYKY-JTQLQIEISA-N -1 1 350.148 2.766 20 30 FFEDMM CCCCCCCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852735503 749939176 /nfs/dbraw/zinc/93/91/76/749939176.db2.gz ILOANMIPZCJQDZ-QWHCGFSZSA-N -1 1 352.397 2.943 20 30 FFEDMM CS(=O)(=O)Cc1cccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496104 845071916 /nfs/dbraw/zinc/07/19/16/845071916.db2.gz JHQMTYBOHAWUHB-AWEZNQCLSA-N -1 1 353.403 2.598 20 30 FFEDMM CS(=O)(=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496104 845071925 /nfs/dbraw/zinc/07/19/25/845071925.db2.gz JHQMTYBOHAWUHB-AWEZNQCLSA-N -1 1 353.403 2.598 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(CC2CCCCC2)c2ncccn2)o1 ZINC000737466751 945071612 /nfs/dbraw/zinc/07/16/12/945071612.db2.gz BYYGVLUYKNPBPW-UHFFFAOYSA-N -1 1 367.417 2.740 20 30 FFEDMM COc1ncc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cn1 ZINC001174034475 1013058622 /nfs/dbraw/zinc/05/86/22/1013058622.db2.gz WLGWJKNUXUZGRQ-REZTVBANSA-N -1 1 354.395 2.764 20 30 FFEDMM C#Cc1cncc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)c1 ZINC001573292050 946926416 /nfs/dbraw/zinc/92/64/16/946926416.db2.gz NHHOCXVCWFSTLH-UHFFFAOYSA-N -1 1 352.423 2.854 20 30 FFEDMM C#Cc1cncc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)c1 ZINC001573292050 946926424 /nfs/dbraw/zinc/92/64/24/946926424.db2.gz NHHOCXVCWFSTLH-UHFFFAOYSA-N -1 1 352.423 2.854 20 30 FFEDMM COc1cnc(F)c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)c1 ZINC001266467422 960525208 /nfs/dbraw/zinc/52/52/08/960525208.db2.gz RBSQKKJDXJZDIL-UHFFFAOYSA-N -1 1 350.693 2.915 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000185302983 967708337 /nfs/dbraw/zinc/70/83/37/967708337.db2.gz PRFSFPXEKZWUOC-AWEZNQCLSA-N -1 1 372.446 2.638 20 30 FFEDMM C[C@H](C#N)CNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875475370 1014031653 /nfs/dbraw/zinc/03/16/53/1014031653.db2.gz AYGNPHCYRHJREG-VXGBXAGGSA-N -1 1 368.359 2.528 20 30 FFEDMM COc1cnc([C@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)[n-]c1=O ZINC000897224284 973470686 /nfs/dbraw/zinc/47/06/86/973470686.db2.gz MMKYJLRXEKJEGE-SNVBAGLBSA-N -1 1 365.315 2.818 20 30 FFEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000897308286 974062015 /nfs/dbraw/zinc/06/20/15/974062015.db2.gz AQRWMDVHWHFYQD-GOSISDBHSA-N -1 1 353.422 2.557 20 30 FFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000899267874 977063772 /nfs/dbraw/zinc/06/37/72/977063772.db2.gz RCDNWZMMHNYZGS-HNNXBMFYSA-N -1 1 359.426 2.735 20 30 FFEDMM C=CCN1CC[C@@]2(CCN(C(=O)c3ccc4ccccc4c3[O-])C2)C1=O ZINC001272247482 977361762 /nfs/dbraw/zinc/36/17/62/977361762.db2.gz PYYAUPZZMNVHCQ-NRFANRHFSA-N -1 1 350.418 2.796 20 30 FFEDMM Cc1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc(C)c1C#N ZINC000907961160 981334039 /nfs/dbraw/zinc/33/40/39/981334039.db2.gz ZQDMFAUDFKDQFC-UHFFFAOYSA-N -1 1 367.371 2.706 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)o1 ZINC000764914573 984801399 /nfs/dbraw/zinc/80/13/99/984801399.db2.gz GBYASAVAZJVNSN-JEZWAEDTSA-N -1 1 356.374 2.870 20 30 FFEDMM C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001007357318 1015191811 /nfs/dbraw/zinc/19/18/11/1015191811.db2.gz OQRPITQUWNOFBY-KPOBHBOGSA-N -1 1 357.454 2.500 20 30 FFEDMM C#CCOCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000762718876 988605436 /nfs/dbraw/zinc/60/54/36/988605436.db2.gz RCZUPMXTFRIJHY-UHFFFAOYSA-N -1 1 373.430 2.602 20 30 FFEDMM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)cc1 ZINC000916130099 989743865 /nfs/dbraw/zinc/74/38/65/989743865.db2.gz HYCFSVZAPJEPOZ-XVNBXDOJSA-N -1 1 367.401 2.819 20 30 FFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(N2CCOCC2)cc1 ZINC000809627671 994560443 /nfs/dbraw/zinc/56/04/43/994560443.db2.gz ZMPOBYXRBSQORM-AWEZNQCLSA-N -1 1 351.406 2.591 20 30 FFEDMM COc1cc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)ccc1F ZINC001599427141 997695608 /nfs/dbraw/zinc/69/56/08/997695608.db2.gz CPFDKSSGIRKYIF-IBGZPJMESA-N -1 1 369.396 2.654 20 30 FFEDMM CN(c1ccccc1)c1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000731155680 997718351 /nfs/dbraw/zinc/71/83/51/997718351.db2.gz PGLBPFHAMZGUAP-UHFFFAOYSA-N -1 1 359.393 2.646 20 30 FFEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731546076 998016921 /nfs/dbraw/zinc/01/69/21/998016921.db2.gz IVINHHUQYYIMLP-CYBMUJFWSA-N -1 1 357.297 2.704 20 30 FFEDMM N#CC(C(=O)COc1cccc([N+](=O)[O-])c1)=C([O-])C1(c2ccccc2)CC1 ZINC000845843499 998672868 /nfs/dbraw/zinc/67/28/68/998672868.db2.gz YEFOFJIJJOPLET-QGZVFWFLSA-N -1 1 364.357 2.983 20 30 FFEDMM CSc1nc(C)c(CCC(=O)OCCOc2ccc(C#N)cc2)c(=O)[n-]1 ZINC000732515959 998691195 /nfs/dbraw/zinc/69/11/95/998691195.db2.gz OSXQCMDFOZJUMR-UHFFFAOYSA-N -1 1 373.434 2.639 20 30 FFEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnc3[nH]cccc2-3)C1=O ZINC000741285255 999718181 /nfs/dbraw/zinc/71/81/81/999718181.db2.gz YMVDIRLKKOGAMR-LJQANCHMSA-N -1 1 371.441 2.879 20 30 FFEDMM O=c1nc(NN=Cc2ccc(Oc3cccc(F)c3)cc2)nc2[nH][n-]cc1-2 ZINC000766451873 999995185 /nfs/dbraw/zinc/99/51/85/999995185.db2.gz ZNSFSJFXSBGRSG-UHFFFAOYSA-N -1 1 364.340 2.809 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(C#N)cc1OC ZINC000766883966 1000088011 /nfs/dbraw/zinc/08/80/11/1000088011.db2.gz NWJOMDBTWPNDJA-UHFFFAOYSA-N -1 1 374.418 2.685 20 30 FFEDMM CN(C)c1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000769808470 1000607918 /nfs/dbraw/zinc/60/79/18/1000607918.db2.gz IMJHTSFWOKKXSE-UHFFFAOYSA-N -1 1 353.430 2.799 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785540420 1001451240 /nfs/dbraw/zinc/45/12/40/1001451240.db2.gz JNGPXVSTXZRZDU-CYBMUJFWSA-N -1 1 359.426 2.641 20 30 FFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000785589826 1001455174 /nfs/dbraw/zinc/45/51/74/1001455174.db2.gz GXCQJDVWSDEJNR-BETUJISGSA-N -1 1 359.426 2.734 20 30 FFEDMM C[C@@H]1[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC000785625533 1001463930 /nfs/dbraw/zinc/46/39/30/1001463930.db2.gz QNAXVINBHQXOHU-QWHCGFSZSA-N -1 1 359.426 2.734 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000785638202 1001465643 /nfs/dbraw/zinc/46/56/43/1001465643.db2.gz QUUYXHKCETXGCU-OAHLLOKOSA-N -1 1 359.426 2.783 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(F)cc2)c([O-])c1 ZINC001182681708 1001997435 /nfs/dbraw/zinc/99/74/35/1001997435.db2.gz SXKRDSMNOOARSK-INIZCTEOSA-N -1 1 353.353 2.646 20 30 FFEDMM N#C[C@H](Cc1ccc(O)cc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC001183604895 1002328603 /nfs/dbraw/zinc/32/86/03/1002328603.db2.gz DBLDOISWKQCLOY-JTQLQIEISA-N -1 1 362.183 2.576 20 30 FFEDMM CSc1nc(NC(=O)Cc2c(C)[nH]c3ccc(C#N)cc32)cc(=O)[n-]1 ZINC001183888277 1002422189 /nfs/dbraw/zinc/42/21/89/1002422189.db2.gz XCEVATRXYGOLEB-UHFFFAOYSA-N -1 1 353.407 2.747 20 30 FFEDMM COC(=O)c1cc(NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)ccc1C ZINC000793097614 1003279792 /nfs/dbraw/zinc/27/97/92/1003279792.db2.gz KHSFIYQSHKEGBH-UHFFFAOYSA-N -1 1 352.350 2.802 20 30 FFEDMM CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000804679774 1003780493 /nfs/dbraw/zinc/78/04/93/1003780493.db2.gz RMNLWYGXECRXAD-INIZCTEOSA-N -1 1 359.426 2.737 20 30 FFEDMM C=C(CC)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC001191332745 1003787286 /nfs/dbraw/zinc/78/72/86/1003787286.db2.gz BPXMQIFCZLKUNO-UHFFFAOYSA-N -1 1 352.225 2.841 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc1[O-] ZINC000804877681 1003883565 /nfs/dbraw/zinc/88/35/65/1003883565.db2.gz UPZOXXJXFGSYFS-KRWDZBQOSA-N -1 1 371.437 2.927 20 30 FFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1ccc(CC#N)cc1 ZINC001191794118 1003957748 /nfs/dbraw/zinc/95/77/48/1003957748.db2.gz YVFRQJNCJWCPJH-UHFFFAOYSA-N -1 1 352.362 2.518 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(OC)c2)c1 ZINC001197110150 1004087915 /nfs/dbraw/zinc/08/79/15/1004087915.db2.gz LXXKBKGLNGNVDK-RMKNXTFCSA-N -1 1 372.402 2.554 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)ccc1C#N ZINC001192266944 1004111036 /nfs/dbraw/zinc/11/10/36/1004111036.db2.gz MMWFMZLFRSZTJM-UHFFFAOYSA-N -1 1 370.390 2.726 20 30 FFEDMM CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)cs1)C1CC1 ZINC000806560752 1004361547 /nfs/dbraw/zinc/36/15/47/1004361547.db2.gz OJJVRVZTEJGFIU-CLTKARDFSA-N -1 1 372.402 2.958 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001193146535 1004389837 /nfs/dbraw/zinc/38/98/37/1004389837.db2.gz OSGFTCVSBQZKPV-NSHDSACASA-N -1 1 351.428 2.638 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001193149126 1004390501 /nfs/dbraw/zinc/39/05/01/1004390501.db2.gz MCGGIBMAKDHKPN-NSHDSACASA-N -1 1 351.428 2.591 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(Br)c1 ZINC001193150355 1004390522 /nfs/dbraw/zinc/39/05/22/1004390522.db2.gz WXAQENSBIHPEKC-ZCFIWIBFSA-N -1 1 368.050 2.865 20 30 FFEDMM N#Cc1cc(C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)ccc1O ZINC001193504412 1004505768 /nfs/dbraw/zinc/50/57/68/1004505768.db2.gz DAQYAPOLVMPZAL-UHFFFAOYSA-N -1 1 368.370 2.916 20 30 FFEDMM Cc1cn(C)nc1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001194832270 1004825286 /nfs/dbraw/zinc/82/52/86/1004825286.db2.gz VNGVVLDJNYRKED-QGMBQPNBSA-N -1 1 368.422 2.516 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cnc2F)cc1C#N ZINC001201293551 1005195429 /nfs/dbraw/zinc/19/54/29/1005195429.db2.gz ZGAMFHFALZDCAZ-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM C#CCC[N@H+](CCOC)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000853620009 1006479353 /nfs/dbraw/zinc/47/93/53/1006479353.db2.gz QGVMJGOKKMHPKS-UHFFFAOYSA-N -1 1 353.418 2.801 20 30 FFEDMM C#CCC[N@@H+](CCOC)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000853620009 1006479355 /nfs/dbraw/zinc/47/93/55/1006479355.db2.gz QGVMJGOKKMHPKS-UHFFFAOYSA-N -1 1 353.418 2.801 20 30 FFEDMM C#CCC[N@H+](CCOC)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000853620009 1006479360 /nfs/dbraw/zinc/47/93/60/1006479360.db2.gz QGVMJGOKKMHPKS-UHFFFAOYSA-N -1 1 353.418 2.801 20 30 FFEDMM C#CCCCOc1cccnc1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000853986955 1006617250 /nfs/dbraw/zinc/61/72/50/1006617250.db2.gz WCDXCTMRQKVHLA-KGLIPLIRSA-N -1 1 369.387 2.767 20 30 FFEDMM C[Si](C)(C)C#Cc1ccc(C(=O)NCCCC[P@](=O)([O-])O)cc1 ZINC001189176721 1006954825 /nfs/dbraw/zinc/95/48/25/1006954825.db2.gz JIAIZNWBJSSFJW-UHFFFAOYSA-N -1 1 353.431 2.603 20 30 FFEDMM C=C(C)CN(CC)C(=O)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152603741 1032202300 /nfs/dbraw/zinc/20/23/00/1032202300.db2.gz NGKOTVAPEFYNIX-UHFFFAOYSA-N -1 1 365.385 2.911 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@@H]2C1 ZINC000884832370 1007567822 /nfs/dbraw/zinc/56/78/22/1007567822.db2.gz HMRAWLVHZIPXFB-CVEARBPZSA-N -1 1 371.437 2.593 20 30 FFEDMM N#Cc1cnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC001190338803 1007590354 /nfs/dbraw/zinc/59/03/54/1007590354.db2.gz QRVVXGMGWPAPQF-UHFFFAOYSA-N -1 1 365.333 2.651 20 30 FFEDMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C#N)c1F ZINC001190576921 1007702271 /nfs/dbraw/zinc/70/22/71/1007702271.db2.gz XZILIQXEQXJUQG-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(Cl)c1 ZINC001190655701 1007736343 /nfs/dbraw/zinc/73/63/43/1007736343.db2.gz KZVYDTBRJVLIAI-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM CCCCCCCCNC(=O)NCC[N-]C(=O)C(F)(F)Br ZINC001191081406 1007885062 /nfs/dbraw/zinc/88/50/62/1007885062.db2.gz OVTZVKGCYWMDLD-UHFFFAOYSA-N -1 1 372.254 2.750 20 30 FFEDMM CCC[C@H](NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)c1nn[n-]n1 ZINC000136718746 1008550189 /nfs/dbraw/zinc/55/01/89/1008550189.db2.gz LTVXVCCHJOYQQH-KRWDZBQOSA-N -1 1 363.425 2.750 20 30 FFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc(Oc2ccccc2)cn1 ZINC000773763046 1009074201 /nfs/dbraw/zinc/07/42/01/1009074201.db2.gz RRQIFRXJCRDHQQ-AWEZNQCLSA-N -1 1 359.345 2.625 20 30 FFEDMM COc1ccc(C2(C(=O)N([O-])C(=N)c3ccccc3N)CCOCC2)cc1 ZINC001180597304 1009766280 /nfs/dbraw/zinc/76/62/80/1009766280.db2.gz GOJJZNJSDCUIDX-UHFFFAOYSA-N -1 1 369.421 2.569 20 30 FFEDMM COc1c([O-])c(C=NNCCCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC000863177301 1010120491 /nfs/dbraw/zinc/12/04/91/1010120491.db2.gz JRMHBANERDNWDP-UHFFFAOYSA-N -1 1 359.382 2.839 20 30 FFEDMM C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)cc1 ZINC000889795308 1010128831 /nfs/dbraw/zinc/12/88/31/1010128831.db2.gz WRERFAYXSOLDPI-OAHLLOKOSA-N -1 1 355.394 2.733 20 30 FFEDMM CC(=O)Nc1ccc(C(=O)CCC(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001182075601 1010377320 /nfs/dbraw/zinc/37/73/20/1010377320.db2.gz SFMQVTCNGHCSDY-UHFFFAOYSA-N -1 1 351.362 2.824 20 30 FFEDMM C=CCN1CC[C@@H](OC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1=O ZINC000801409727 1018949124 /nfs/dbraw/zinc/94/91/24/1018949124.db2.gz BSXGXBXSHLJVAF-QGZVFWFLSA-N -1 1 369.421 2.645 20 30 FFEDMM N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cc3ccc([O-])c(Cl)c3)C2)nc1 ZINC000928716636 1019089866 /nfs/dbraw/zinc/08/98/66/1019089866.db2.gz NBPQRKNWUGLERJ-OAHLLOKOSA-N -1 1 370.840 2.958 20 30 FFEDMM N#CCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc1 ZINC000901741856 1019420361 /nfs/dbraw/zinc/42/03/61/1019420361.db2.gz SHVQINZYFPAHKL-UHFFFAOYSA-N -1 1 369.446 2.836 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2scnc2CC)cc1 ZINC000750311596 1021685936 /nfs/dbraw/zinc/68/59/36/1021685936.db2.gz OGVZRIWYUDGOLF-ZDUSSCGKSA-N -1 1 371.418 2.843 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cccc3)nc2)n1 ZINC000753395583 1023318408 /nfs/dbraw/zinc/31/84/08/1023318408.db2.gz HZLBAGQYPNJPSG-CYBMUJFWSA-N -1 1 366.402 2.996 20 30 FFEDMM N#Cc1ccnnc1N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001120868293 1023502434 /nfs/dbraw/zinc/50/24/34/1023502434.db2.gz ODBIQXXEQJNKIW-LBPRGKRZSA-N -1 1 361.327 2.652 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cc(OC)c2c(c1)OCCO2 ZINC000756901116 1023766393 /nfs/dbraw/zinc/76/63/93/1023766393.db2.gz KSCFJLFJQBBXCN-UHFFFAOYSA-N -1 1 358.350 2.619 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001121499001 1023812482 /nfs/dbraw/zinc/81/24/82/1023812482.db2.gz LYYWGJILVAYSSS-OKILXGFUSA-N -1 1 352.442 2.740 20 30 FFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000757472432 1023822762 /nfs/dbraw/zinc/82/27/62/1023822762.db2.gz HKXUGSKFVGGCEB-IWQZZHSRSA-N -1 1 371.301 2.666 20 30 FFEDMM COc1cc(/C=C\C(=O)c2ccccc2O)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000757476699 1023823232 /nfs/dbraw/zinc/82/32/32/1023823232.db2.gz YWQMOYUQIXQTEV-SREVYHEPSA-N -1 1 373.317 2.669 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1ccc(F)c(C#N)c1 ZINC000758936281 1024382041 /nfs/dbraw/zinc/38/20/41/1024382041.db2.gz NCBPAYMGTXHZKU-UHFFFAOYSA-N -1 1 368.368 2.739 20 30 FFEDMM C[C@@H]1COCC[C@H]1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000195266198 1024978639 /nfs/dbraw/zinc/97/86/39/1024978639.db2.gz NCAOCMMQGUQCDN-NQBHXWOUSA-N -1 1 371.462 2.712 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000779848315 1025173981 /nfs/dbraw/zinc/17/39/81/1025173981.db2.gz LUILDJYMHVMCRZ-CYBMUJFWSA-N -1 1 374.418 2.795 20 30 FFEDMM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2nc(OCC)[nH]c2c1 ZINC000838786338 1026505048 /nfs/dbraw/zinc/50/50/48/1026505048.db2.gz DQOZLOUEZMLRFD-CQSZACIVSA-N -1 1 356.426 2.981 20 30 FFEDMM N#Cc1cc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)cnc1Cl ZINC001159277309 1027333912 /nfs/dbraw/zinc/33/39/12/1027333912.db2.gz UIEQCXHGDWEYJP-UHFFFAOYSA-N -1 1 353.712 2.540 20 30 FFEDMM N#Cc1cnc(Cl)cc1C(F)(F)NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279563 1027336161 /nfs/dbraw/zinc/33/61/61/1027336161.db2.gz USXWFGXVUVYHDO-UHFFFAOYSA-N -1 1 353.712 2.540 20 30 FFEDMM N#CCc1cc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)ccc1F ZINC001155231871 1028638443 /nfs/dbraw/zinc/63/84/43/1028638443.db2.gz LHRHEWFEILJYHF-UHFFFAOYSA-N -1 1 354.293 2.662 20 30 FFEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3cc(C#N)cc(C)n3)c2)n1 ZINC001163197498 1028838820 /nfs/dbraw/zinc/83/88/20/1028838820.db2.gz IGYXBTFIGDWBLE-UHFFFAOYSA-N -1 1 362.393 2.836 20 30 FFEDMM Cc1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ncc1[N+](=O)[O-] ZINC001155913875 1028972749 /nfs/dbraw/zinc/97/27/49/1028972749.db2.gz AIWTVBQRFBCFPX-UHFFFAOYSA-N -1 1 357.248 2.840 20 30 FFEDMM COC(=O)c1cc(NC(=O)c2ccc(C#N)c(Cl)c2)c([O-])c(OC)c1 ZINC001158245276 1029769811 /nfs/dbraw/zinc/76/98/11/1029769811.db2.gz FFLNGLIJNJDBEK-UHFFFAOYSA-N -1 1 360.753 2.965 20 30 FFEDMM C=CCOc1cc(OC)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784740248 1030784119 /nfs/dbraw/zinc/78/41/19/1030784119.db2.gz DFWHLJUBDFLWKP-UHFFFAOYSA-N -1 1 358.346 2.711 20 30 FFEDMM COC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)[N-]C(=O)C(F)F)cc1 ZINC001142791597 1030883201 /nfs/dbraw/zinc/88/32/01/1030883201.db2.gz DSBRRRMSMNPKSB-UHFFFAOYSA-N -1 1 356.325 2.536 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cn2ccc(Br)cc2n1 ZINC001149964065 1031630036 /nfs/dbraw/zinc/63/00/36/1031630036.db2.gz ODMDOARQXRHBQC-UHFFFAOYSA-N -1 1 374.198 2.536 20 30 FFEDMM N#Cc1cccc(O[N-]C(=O)C2C=NC(=S)N2c2ccc(F)cc2)c1 ZINC001151431919 1031953192 /nfs/dbraw/zinc/95/31/92/1031953192.db2.gz KKRSTIPUTVHOPH-UHFFFAOYSA-N -1 1 354.366 2.896 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC001115866211 1031992125 /nfs/dbraw/zinc/99/21/25/1031992125.db2.gz XJJSDAKSJYTYCQ-UHFFFAOYSA-N -1 1 354.309 2.584 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](O/C(=N\[O-])c2cc(F)ccc2F)CC1=O ZINC001223890126 1033628574 /nfs/dbraw/zinc/62/85/74/1033628574.db2.gz PFERAFZSAVXHCR-OIURLTOFSA-N -1 1 356.325 2.653 20 30 FFEDMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000830800849 1033791439 /nfs/dbraw/zinc/79/14/39/1033791439.db2.gz AXRPAXPVVJNDCG-WMLDXEAASA-N -1 1 367.371 2.743 20 30 FFEDMM C=C[C@@H]1O[C@H](Oc2cc(C(F)(F)F)nc(=S)[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001225850251 1034426580 /nfs/dbraw/zinc/42/65/80/1034426580.db2.gz HWYVONRYANQESH-WBAWJMECSA-N -1 1 364.345 2.594 20 30 FFEDMM CCOC(=O)C(F)(F)[C@H](Oc1nccc(/C=N/[O-])n1)c1ccc(F)cc1 ZINC001226257161 1034596168 /nfs/dbraw/zinc/59/61/68/1034596168.db2.gz LKXOEYUXOXMPQV-FCQRQVBFSA-N -1 1 369.299 2.742 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)cc1C ZINC000832934754 1035031469 /nfs/dbraw/zinc/03/14/69/1035031469.db2.gz IEAJIIRDSXMTPE-MRXNPFEDSA-N -1 1 357.454 2.735 20 30 FFEDMM C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001140494914 1035502021 /nfs/dbraw/zinc/50/20/21/1035502021.db2.gz NWEZJNGRGHEGBP-FXAWDEMLSA-N -1 1 362.470 2.903 20 30 FFEDMM N#CCN1CCC(OC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)CC1 ZINC000835231623 1035635698 /nfs/dbraw/zinc/63/56/98/1035635698.db2.gz LZFANXZIKCBPKB-UHFFFAOYSA-N -1 1 367.405 2.516 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](Oc2[n-]c(=S)nc3cnccc32)[C@H](C#N)C1 ZINC001227882177 1035785985 /nfs/dbraw/zinc/78/59/85/1035785985.db2.gz UDNYMFPWEKOPOD-MFKMUULPSA-N -1 1 373.438 2.825 20 30 FFEDMM C=C(C)CN1C[C@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387108 1036671692 /nfs/dbraw/zinc/67/16/92/1036671692.db2.gz FYWGSCCJLCLUBJ-GOSISDBHSA-N -1 1 368.836 2.564 20 30 FFEDMM C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1cc([O-])ccc1C(=O)CC ZINC001229474999 1036694089 /nfs/dbraw/zinc/69/40/89/1036694089.db2.gz OSBQUDKVZWJCMO-CQSZACIVSA-N -1 1 362.378 2.581 20 30 FFEDMM O=C(/C=C/c1ccc(O)c(O)c1)c1ccc([O-])cc1O[C@@H]1CCCOC1=O ZINC001229586764 1036763733 /nfs/dbraw/zinc/76/37/33/1036763733.db2.gz LJPJFEZKNKDQDW-NTSMAEHXSA-N -1 1 370.357 2.784 20 30 FFEDMM N#C[C@H]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001229785663 1036893879 /nfs/dbraw/zinc/89/38/79/1036893879.db2.gz INEVRJRWDBRDOA-GXSJLCMTSA-N -1 1 371.345 2.517 20 30 FFEDMM COc1cc([O-])cc(O[C@@H]2CCOC2=O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234774994 1037176865 /nfs/dbraw/zinc/17/68/65/1037176865.db2.gz QABIGGKOIHPPTJ-IEXSPKMKSA-N -1 1 370.357 2.697 20 30 FFEDMM COC(=O)C1=C[C@@H](Oc2ccccc2C=NO)C[N@@H+](Cc2ccccc2)C1 ZINC001234824452 1037192996 /nfs/dbraw/zinc/19/29/96/1037192996.db2.gz HSQKIXGVWCQUQF-LJQANCHMSA-N -1 1 366.417 2.857 20 30 FFEDMM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001276558884 1038086714 /nfs/dbraw/zinc/08/67/14/1038086714.db2.gz WRLMQVWIHWDSTO-HNNXBMFYSA-N -1 1 363.408 2.692 20 30 FFEDMM O=c1[n-]c(=S)[nH]c(NC[C@@H](O)C(F)(F)F)c1N=Cc1ccccc1 ZINC001250963940 1038854272 /nfs/dbraw/zinc/85/42/72/1038854272.db2.gz VEHINJGASYXHDY-GIGVHJDUSA-N -1 1 358.345 2.557 20 30 FFEDMM C[C@@](O)(CNC1=CC=C[CH]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252343640 1039504359 /nfs/dbraw/zinc/50/43/59/1039504359.db2.gz VTAUJFSBAMOXPU-MRXNPFEDSA-N -1 1 350.320 2.514 20 30 FFEDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(C#N)c(F)c1)C(=O)C2 ZINC001258985853 1039639784 /nfs/dbraw/zinc/63/97/84/1039639784.db2.gz KDUSKBDYDSZKMP-SJKOYZFVSA-N -1 1 350.415 2.834 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCOc2ncc(Cl)cc2Cl)c2ccccc21 ZINC001253001756 1039906747 /nfs/dbraw/zinc/90/67/47/1039906747.db2.gz VKXFKDPJUJMRSG-UHFFFAOYSA-N -1 1 372.233 2.506 20 30 FFEDMM COc1c(Nc2ccc(N3CCN(C)CC3)c(C#N)c2)cccc1C(=O)[O-] ZINC001211037197 1039918137 /nfs/dbraw/zinc/91/81/37/1039918137.db2.gz JFBANQWDOBRILT-UHFFFAOYSA-N -1 1 366.421 2.760 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(-c2ccoc2)c1 ZINC001253744048 1040350286 /nfs/dbraw/zinc/35/02/86/1040350286.db2.gz MONGGGHHKKXQMK-UHFFFAOYSA-N -1 1 352.371 2.826 20 30 FFEDMM COC(=O)c1cc(F)cc(F)c1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260045500 1040377063 /nfs/dbraw/zinc/37/70/63/1040377063.db2.gz VEVKMNGTXMQBQH-UHFFFAOYSA-N -1 1 366.345 2.565 20 30 FFEDMM Cc1ccccc1S(=O)(=O)[N-]c1ncc(C#N)cc1Br ZINC001254514298 1040761011 /nfs/dbraw/zinc/76/10/11/1040761011.db2.gz WBNWUCHACKUUTO-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC001261058870 1040965865 /nfs/dbraw/zinc/96/58/65/1040965865.db2.gz OCTSDUXNVUGKRH-UHFFFAOYSA-N -1 1 374.802 3.000 20 30 FFEDMM C=C[C@@H](COC)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001261205892 1041066396 /nfs/dbraw/zinc/06/63/96/1041066396.db2.gz SKRVDLZDZFFESM-VIFPVBQESA-N -1 1 351.200 2.634 20 30 FFEDMM O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001261740164 1041390316 /nfs/dbraw/zinc/39/03/16/1041390316.db2.gz SBDNULLVIUARMT-LBPRGKRZSA-N -1 1 365.311 2.552 20 30 FFEDMM CCCCCCCCCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001216543889 1042054109 /nfs/dbraw/zinc/05/41/09/1042054109.db2.gz HRNIQSOZWVAOBG-HUUCEWRRSA-N -1 1 351.495 2.588 20 30 FFEDMM N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC001309846880 1043553725 /nfs/dbraw/zinc/55/37/25/1043553725.db2.gz NDYBLKJPUKFTEI-WBVHZDCISA-N -1 1 364.373 2.589 20 30 FFEDMM N#CCc1cccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC001311156505 1043822849 /nfs/dbraw/zinc/82/28/49/1043822849.db2.gz BWDAMHTZECEYFU-UHFFFAOYSA-N -1 1 361.199 2.937 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Oc2ccccc2)o1 ZINC001318933930 1044947438 /nfs/dbraw/zinc/94/74/38/1044947438.db2.gz AGWPEBZMLLDRDV-UHFFFAOYSA-N -1 1 368.370 2.951 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001318175354 1045235259 /nfs/dbraw/zinc/23/52/59/1045235259.db2.gz HRGATHSFWYRYHC-UONOGXRCSA-N -1 1 360.822 2.709 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=[S@](C)(=O)c2ccccc2F)cc1C#N ZINC001539637830 1070671864 /nfs/dbraw/zinc/67/18/64/1070671864.db2.gz SYQXYVRIZMZFJM-XMMPIXPASA-N -1 1 365.411 2.817 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC001294767673 1049805515 /nfs/dbraw/zinc/80/55/15/1049805515.db2.gz RYPLLFGPTABFNB-HNNXBMFYSA-N -1 1 363.377 2.947 20 30 FFEDMM C#CCn1ccc(CN(CC)C(=O)c2ccc(C(F)(F)F)c([O-])c2)n1 ZINC001297350790 1050145203 /nfs/dbraw/zinc/14/52/03/1050145203.db2.gz XYDSIBSNEQVGOD-UHFFFAOYSA-N -1 1 351.328 2.903 20 30 FFEDMM N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc([O-])c(F)c3F)CC2=O)cc1 ZINC001297821858 1050295921 /nfs/dbraw/zinc/29/59/21/1050295921.db2.gz YKQUFMLHNIYLQL-LLVKDONJSA-N -1 1 357.316 2.534 20 30 FFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC001339977474 1050390956 /nfs/dbraw/zinc/39/09/56/1050390956.db2.gz GTXCAAKLQDVJHC-UHFFFAOYSA-N -1 1 372.780 2.977 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC(c2cccc(F)c2)CC1 ZINC001341852530 1050464408 /nfs/dbraw/zinc/46/44/08/1050464408.db2.gz DFVIWBGVFYFQLR-UHFFFAOYSA-N -1 1 368.420 2.557 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC(c2cccc(F)c2)CC1 ZINC001341852530 1050464414 /nfs/dbraw/zinc/46/44/14/1050464414.db2.gz DFVIWBGVFYFQLR-UHFFFAOYSA-N -1 1 368.420 2.557 20 30 FFEDMM C=C(C)Cn1c(-c2noc(=O)[n-]2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001342397062 1050991133 /nfs/dbraw/zinc/99/11/33/1050991133.db2.gz PSTFMGYCLWLKRO-LLVKDONJSA-N -1 1 358.427 2.601 20 30 FFEDMM C=CCCCN(CC)c1nnc(-c2nc(Cl)n[n-]2)n1C[C@H]1CCCO1 ZINC001343138888 1051761071 /nfs/dbraw/zinc/76/10/71/1051761071.db2.gz SWAMSLZEVNBUCL-GFCCVEGCSA-N -1 1 365.869 2.688 20 30 FFEDMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OCC#N)cc2)c(F)c1 ZINC001309145322 1052562947 /nfs/dbraw/zinc/56/29/47/1052562947.db2.gz FIOJNAAPROVHGZ-UHFFFAOYSA-N -1 1 352.362 2.654 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CCOCC ZINC001356599113 1055605711 /nfs/dbraw/zinc/60/57/11/1055605711.db2.gz PKAXBRBMJQYQPA-UHFFFAOYSA-N -1 1 351.838 2.748 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@H](OCC)C1 ZINC001338707883 1055748059 /nfs/dbraw/zinc/74/80/59/1055748059.db2.gz CVCFEBZOJPDABH-AWEZNQCLSA-N -1 1 370.457 2.509 20 30 FFEDMM C=C(C)Cn1c(-c2noc(=O)[n-]2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001357206461 1055821365 /nfs/dbraw/zinc/82/13/65/1055821365.db2.gz FXGWPDYEAWSFMY-GFCCVEGCSA-N -1 1 358.427 2.601 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCO[C@@](C)(CC)C1 ZINC001338861949 1055879244 /nfs/dbraw/zinc/87/92/44/1055879244.db2.gz AZZLIXAVNRGOQA-IBGZPJMESA-N -1 1 370.457 2.509 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)Nc2cnccc2-n2ccnc2C)cc1C#N ZINC001444201857 1058278134 /nfs/dbraw/zinc/27/81/34/1058278134.db2.gz CNCGVQUYUWCGCI-UHFFFAOYSA-N -1 1 366.406 2.522 20 30 FFEDMM C=CCONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001449656644 1058929446 /nfs/dbraw/zinc/92/94/46/1058929446.db2.gz NJLAUVKRNAXQCX-UHFFFAOYSA-N -1 1 368.361 2.613 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCc2cc(O)ccc2C1 ZINC001515031193 1059240041 /nfs/dbraw/zinc/24/00/41/1059240041.db2.gz IILRMAUESVKGFP-UHFFFAOYSA-N -1 1 371.832 2.561 20 30 FFEDMM COCCOc1ccc(C#N)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001515441169 1059661501 /nfs/dbraw/zinc/66/15/01/1059661501.db2.gz GJKKEPGQUOLKFF-UHFFFAOYSA-N -1 1 363.373 2.677 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC2(CC2(F)F)CC1 ZINC001515655625 1059736701 /nfs/dbraw/zinc/73/67/01/1059736701.db2.gz SZPLGPWJKFOQAV-UHFFFAOYSA-N -1 1 350.373 2.576 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001515757569 1059781905 /nfs/dbraw/zinc/78/19/05/1059781905.db2.gz JWAROTBEAHNGJS-LLVKDONJSA-N -1 1 359.459 2.646 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1F ZINC001475391126 1061073892 /nfs/dbraw/zinc/07/38/92/1061073892.db2.gz IANYZYDBADJYKJ-UHFFFAOYSA-N -1 1 360.197 2.878 20 30 FFEDMM Cc1c(Br)cccc1CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001475661610 1061187678 /nfs/dbraw/zinc/18/76/78/1061187678.db2.gz YJXSHRZUXVAAOQ-UHFFFAOYSA-N -1 1 369.240 2.743 20 30 FFEDMM N#Cc1nc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1Br ZINC001529891619 1062425255 /nfs/dbraw/zinc/42/52/55/1062425255.db2.gz DVJACPKONQJKEX-UHFFFAOYSA-N -1 1 369.178 2.810 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001523796291 1062627984 /nfs/dbraw/zinc/62/79/84/1062627984.db2.gz JKTTUFFDGHXJSA-OAHLLOKOSA-N -1 1 350.430 2.684 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001523796291 1062627998 /nfs/dbraw/zinc/62/79/98/1062627998.db2.gz JKTTUFFDGHXJSA-OAHLLOKOSA-N -1 1 350.430 2.684 20 30 FFEDMM N#Cc1ccc(N2CCC[C@H]2C(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001558516097 1076021968 /nfs/dbraw/zinc/02/19/68/1076021968.db2.gz NBDQXVOODJSZBX-IBGZPJMESA-N -1 1 371.387 2.870 20 30 FFEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001565063768 1076681856 /nfs/dbraw/zinc/68/18/56/1076681856.db2.gz SOKCRDTVQYIVKI-DVOMOZLQSA-N -1 1 361.408 2.974 20 30 FFEDMM C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001573970674 1077862113 /nfs/dbraw/zinc/86/21/13/1077862113.db2.gz YAJAAXGVHYBHJF-NVXWUHKLSA-N -1 1 371.481 2.770 20 30 FFEDMM CC(C)c1c(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cnn1-c1ccccc1 ZINC001574403262 1077980218 /nfs/dbraw/zinc/98/02/18/1077980218.db2.gz REOSMWIJYKJRSH-UHFFFAOYSA-N -1 1 372.396 2.581 20 30 FFEDMM CC(C)c1c(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cnn1-c1ccccc1 ZINC001574403262 1077980220 /nfs/dbraw/zinc/98/02/20/1077980220.db2.gz REOSMWIJYKJRSH-UHFFFAOYSA-N -1 1 372.396 2.581 20 30 FFEDMM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c1 ZINC001588374626 1079997891 /nfs/dbraw/zinc/99/78/91/1079997891.db2.gz FAIDUOBNDNWVLI-UHFFFAOYSA-N -1 1 352.785 2.563 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001588401378 1080010711 /nfs/dbraw/zinc/01/07/11/1080010711.db2.gz QPLYKSXHBZSWIN-ZANVPECISA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001588401378 1080010718 /nfs/dbraw/zinc/01/07/18/1080010718.db2.gz QPLYKSXHBZSWIN-ZANVPECISA-N -1 1 354.336 2.674 20 30 FFEDMM C=CC1CCN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2CC2CC2)CC1 ZINC001588529962 1080080215 /nfs/dbraw/zinc/08/02/15/1080080215.db2.gz GGSBARONEMBCHX-UHFFFAOYSA-N -1 1 366.429 2.531 20 30 FFEDMM C=CC1CCN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2CC2CC2)CC1 ZINC001588529962 1080080222 /nfs/dbraw/zinc/08/02/22/1080080222.db2.gz GGSBARONEMBCHX-UHFFFAOYSA-N -1 1 366.429 2.531 20 30 FFEDMM C=CCN(CCc1ccco1)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588635309 1080131045 /nfs/dbraw/zinc/13/10/45/1080131045.db2.gz HLYZJXPJYLNBKV-UHFFFAOYSA-N -1 1 359.336 2.609 20 30 FFEDMM C=CCN(CCc1ccco1)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588635309 1080131051 /nfs/dbraw/zinc/13/10/51/1080131051.db2.gz HLYZJXPJYLNBKV-UHFFFAOYSA-N -1 1 359.336 2.609 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588936991 1080272564 /nfs/dbraw/zinc/27/25/64/1080272564.db2.gz QBLMDFCDNLHJHW-VIFPVBQESA-N -1 1 370.319 2.688 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588936991 1080272571 /nfs/dbraw/zinc/27/25/71/1080272571.db2.gz QBLMDFCDNLHJHW-VIFPVBQESA-N -1 1 370.319 2.688 20 30 FFEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589754777 1080708150 /nfs/dbraw/zinc/70/81/50/1080708150.db2.gz SZVUTHQFWURWKI-UHFFFAOYSA-N -1 1 354.395 2.839 20 30 FFEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(-c2ccncc2)cc1 ZINC001589986368 1080923879 /nfs/dbraw/zinc/92/38/79/1080923879.db2.gz GJZXSJJZOGAKQM-GFCCVEGCSA-N -1 1 369.392 2.763 20 30 FFEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(-c2ccncc2)cc1 ZINC001589986368 1080923882 /nfs/dbraw/zinc/92/38/82/1080923882.db2.gz GJZXSJJZOGAKQM-GFCCVEGCSA-N -1 1 369.392 2.763 20 30 FFEDMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590050276 1080979779 /nfs/dbraw/zinc/97/97/79/1080979779.db2.gz RCFRWMYYLZAGPP-VIFPVBQESA-N -1 1 374.330 2.745 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000014898618 533349234 /nfs/dbraw/zinc/34/92/34/533349234.db2.gz VPTPFKFDHTYDGP-UHFFFAOYSA-N -1 1 354.431 2.768 20 30 FFEDMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1Cl ZINC000032630352 506271619 /nfs/dbraw/zinc/27/16/19/506271619.db2.gz SEBLWTOLMLLZMZ-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000067794194 507011075 /nfs/dbraw/zinc/01/10/75/507011075.db2.gz KCQJGQYTMXEAAT-UHFFFAOYSA-N -1 1 359.451 2.921 20 30 FFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000024262775 507401427 /nfs/dbraw/zinc/40/14/27/507401427.db2.gz VEQYDHDQDXBQED-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2C[C@H]1C ZINC000028678904 507736677 /nfs/dbraw/zinc/73/66/77/507736677.db2.gz ILXLMZVSERUDPT-GFCCVEGCSA-N -1 1 355.419 2.657 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2cc(C#N)cn2C(C)(C)C)c(=O)[n-]1 ZINC000107905966 507872823 /nfs/dbraw/zinc/87/28/23/507872823.db2.gz DYYSHZJTJVFYOA-UHFFFAOYSA-N -1 1 373.482 2.800 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657587 507894401 /nfs/dbraw/zinc/89/44/01/507894401.db2.gz SLODNHRXZRVVFM-BTYIYWSLSA-N -1 1 371.481 2.730 20 30 FFEDMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000110095003 508007534 /nfs/dbraw/zinc/00/75/34/508007534.db2.gz VCFNVCBNYNIXSO-OAQYLSRUSA-N -1 1 354.840 2.750 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000102351144 508272765 /nfs/dbraw/zinc/27/27/65/508272765.db2.gz BTSWMZZTKQJXAY-AWEZNQCLSA-N -1 1 361.398 2.658 20 30 FFEDMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000077704942 508354772 /nfs/dbraw/zinc/35/47/72/508354772.db2.gz ABKVWJAJZMUIHI-UHFFFAOYSA-N -1 1 363.826 2.681 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N[C@@H](CCC#N)c2ccccc2)c(=O)[n-]1 ZINC000153323102 508572295 /nfs/dbraw/zinc/57/22/95/508572295.db2.gz AFOBZFFTZDTTNX-INIZCTEOSA-N -1 1 370.478 2.894 20 30 FFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000157610504 508586690 /nfs/dbraw/zinc/58/66/90/508586690.db2.gz BRLRLLNNECCVPE-UHFFFAOYSA-N -1 1 364.810 2.993 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)[nH]1 ZINC000157765701 508609343 /nfs/dbraw/zinc/60/93/43/508609343.db2.gz HQKKDBRHABSBPB-UHFFFAOYSA-N -1 1 366.402 2.939 20 30 FFEDMM CCOc1cccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000124266209 508806643 /nfs/dbraw/zinc/80/66/43/508806643.db2.gz YGDAQCIKNOJIBO-UHFFFAOYSA-N -1 1 352.362 2.714 20 30 FFEDMM N#Cc1ccc(OCCNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000120307462 508968918 /nfs/dbraw/zinc/96/89/18/508968918.db2.gz DUEKGBQGYDACLY-UHFFFAOYSA-N -1 1 361.195 2.835 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1[O-] ZINC000189071226 509396676 /nfs/dbraw/zinc/39/66/76/509396676.db2.gz JIDKNEIXFSJHFT-HNNXBMFYSA-N -1 1 373.771 2.592 20 30 FFEDMM N#CCCN(CC1CC1)C(=O)c1cc(I)ccc1[O-] ZINC000179480357 509469972 /nfs/dbraw/zinc/46/99/72/509469972.db2.gz MTEFOFDVMKCUTJ-UHFFFAOYSA-N -1 1 370.190 2.763 20 30 FFEDMM N#Cc1ccc(C(=O)NCCN2CCc3c(Cl)cccc3C2)cc1[O-] ZINC000189416940 509565216 /nfs/dbraw/zinc/56/52/16/509565216.db2.gz BNRMIWBCFGGPBW-UHFFFAOYSA-N -1 1 355.825 2.705 20 30 FFEDMM Cc1nc(C)c(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000183118944 509607961 /nfs/dbraw/zinc/60/79/61/509607961.db2.gz ORASWJMJSZJKIA-NSHDSACASA-N -1 1 368.418 2.958 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)CCCC2)no1 ZINC000186275258 509616420 /nfs/dbraw/zinc/61/64/20/509616420.db2.gz DKEKDXHULZGJSM-UHFFFAOYSA-N -1 1 366.830 2.651 20 30 FFEDMM CCOc1cc2c(cc1CNC(=O)c1ccc(C#N)c([O-])c1)O[C@H](C)C2 ZINC000189902137 509819758 /nfs/dbraw/zinc/81/97/58/509819758.db2.gz LDJXAQDNURTVOG-GFCCVEGCSA-N -1 1 352.390 2.916 20 30 FFEDMM Cn1ccnc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(F)c1 ZINC000190007714 509880213 /nfs/dbraw/zinc/88/02/13/509880213.db2.gz ZSSHERWSJHJFNL-QGZVFWFLSA-N -1 1 350.353 2.656 20 30 FFEDMM CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190052466 509910907 /nfs/dbraw/zinc/91/09/07/509910907.db2.gz HIAJFHYVXCSDNO-UHFFFAOYSA-N -1 1 355.369 2.892 20 30 FFEDMM C[C@@H](CC#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000171284638 510054672 /nfs/dbraw/zinc/05/46/72/510054672.db2.gz YIPZITWUAWOTBL-JTQLQIEISA-N -1 1 359.332 2.955 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CC#N)C1CCCC1 ZINC000265680471 510172182 /nfs/dbraw/zinc/17/21/82/510172182.db2.gz LNGYNFPEGYABJD-UHFFFAOYSA-N -1 1 365.437 2.780 20 30 FFEDMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000187813675 510450997 /nfs/dbraw/zinc/45/09/97/510450997.db2.gz WIKFPFIGXXRBJN-AWEZNQCLSA-N -1 1 352.390 2.715 20 30 FFEDMM Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000187872017 510479737 /nfs/dbraw/zinc/47/97/37/510479737.db2.gz FZSMIFLDAGKHOD-UHFFFAOYSA-N -1 1 357.797 2.984 20 30 FFEDMM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000187977968 510531203 /nfs/dbraw/zinc/53/12/03/510531203.db2.gz WDJJQVLJXIOAFB-OAHLLOKOSA-N -1 1 371.824 2.935 20 30 FFEDMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000181735092 510565914 /nfs/dbraw/zinc/56/59/14/510565914.db2.gz MSTSZEGGJSPDGM-UHFFFAOYSA-N -1 1 350.419 2.968 20 30 FFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000184895376 510570822 /nfs/dbraw/zinc/57/08/22/510570822.db2.gz CLOLQPPMCXCISK-UHFFFAOYSA-N -1 1 367.430 2.503 20 30 FFEDMM N#Cc1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)cc1[O-] ZINC000188480112 510788370 /nfs/dbraw/zinc/78/83/70/510788370.db2.gz DUKYRRLSPHFSNP-UHFFFAOYSA-N -1 1 363.417 2.546 20 30 FFEDMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172590416 510808948 /nfs/dbraw/zinc/80/89/48/510808948.db2.gz FDHKKHXKIOYYAC-UHFFFAOYSA-N -1 1 369.446 2.868 20 30 FFEDMM COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188602055 510840230 /nfs/dbraw/zinc/84/02/30/510840230.db2.gz YCXYCOULGGGQCG-UHFFFAOYSA-N -1 1 374.343 2.748 20 30 FFEDMM CCN(C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1)CC(F)(F)F ZINC000188611605 510843096 /nfs/dbraw/zinc/84/30/96/510843096.db2.gz ODGTWJDEUBNGQZ-LBPRGKRZSA-N -1 1 355.360 2.610 20 30 FFEDMM N#CC1([N-]C(=O)C(F)(F)c2ccccc2Br)CCOCC1 ZINC000295921893 511557081 /nfs/dbraw/zinc/55/70/81/511557081.db2.gz RXBOKAUEGZQICO-UHFFFAOYSA-N -1 1 359.170 2.730 20 30 FFEDMM C=CCC(C)(C)c1noc(Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000349723247 511651990 /nfs/dbraw/zinc/65/19/90/511651990.db2.gz JJTWEXDIUAYOQU-UHFFFAOYSA-N -1 1 351.410 2.968 20 30 FFEDMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1CCC(=O)CC1 ZINC000329134907 511989555 /nfs/dbraw/zinc/98/95/55/511989555.db2.gz ZXRYRJOOCDQYNK-UHFFFAOYSA-N -1 1 366.439 2.524 20 30 FFEDMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1 ZINC000367874783 512701057 /nfs/dbraw/zinc/70/10/57/512701057.db2.gz PYHSXRMQGBIWLG-GDBMZVCRSA-N -1 1 365.842 2.528 20 30 FFEDMM N#Cc1ccc(C2=CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)cc1 ZINC000372443695 512877687 /nfs/dbraw/zinc/87/76/87/512877687.db2.gz UAUISPDSBQWHKB-UHFFFAOYSA-N -1 1 356.385 2.724 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)cn1 ZINC000451085647 513506558 /nfs/dbraw/zinc/50/65/58/513506558.db2.gz LPVDILUBOQHFNU-UHFFFAOYSA-N -1 1 361.423 2.940 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(Cc2ccccc2)no1 ZINC000435432327 513585252 /nfs/dbraw/zinc/58/52/52/513585252.db2.gz IJECCGSMVHLTPK-NSHDSACASA-N -1 1 374.447 2.633 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1[O-] ZINC000442963755 513829390 /nfs/dbraw/zinc/82/93/90/513829390.db2.gz JFJHOLMRMBKUEU-UHFFFAOYSA-N -1 1 354.753 2.897 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1Cl ZINC000431158458 513840955 /nfs/dbraw/zinc/84/09/55/513840955.db2.gz JDNIQUHVLZOVHT-UHFFFAOYSA-N -1 1 368.777 2.642 20 30 FFEDMM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccs1 ZINC000443011203 513842321 /nfs/dbraw/zinc/84/23/21/513842321.db2.gz OVYZODQTZXJACE-NSHDSACASA-N -1 1 351.409 2.958 20 30 FFEDMM CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000443086495 513868458 /nfs/dbraw/zinc/86/84/58/513868458.db2.gz OJJNVWADUCLPRN-CYBMUJFWSA-N -1 1 355.891 2.754 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1[O-] ZINC000443122481 513878930 /nfs/dbraw/zinc/87/89/30/513878930.db2.gz GYRVWDGVPFASKA-GFCCVEGCSA-N -1 1 373.771 2.592 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2cccc(C(F)(F)F)c2)o1 ZINC000451730575 513943394 /nfs/dbraw/zinc/94/33/94/513943394.db2.gz PEKJWOBHGXIKAQ-ZDUSSCGKSA-N -1 1 374.340 2.572 20 30 FFEDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)C(F)(F)F ZINC000443936657 514075160 /nfs/dbraw/zinc/07/51/60/514075160.db2.gz RMORSVCDNMEIFS-TVQRCGJNSA-N -1 1 350.362 2.822 20 30 FFEDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)n[nH]1 ZINC000427263118 514164926 /nfs/dbraw/zinc/16/49/26/514164926.db2.gz QJLXXRYKGHWHFF-UHFFFAOYSA-N -1 1 371.397 2.900 20 30 FFEDMM C=CCN(C(=O)c1ncccc1[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC000444386886 514218574 /nfs/dbraw/zinc/21/85/74/514218574.db2.gz YBBSRQZLNYEXHZ-MRXNPFEDSA-N -1 1 354.406 2.590 20 30 FFEDMM C=CCCCS(=O)(=O)[N-]c1c(C(=O)OCC)cnn1C1CCCC1 ZINC000427786868 514314779 /nfs/dbraw/zinc/31/47/79/514314779.db2.gz URFKISSVTHRVOB-UHFFFAOYSA-N -1 1 355.460 2.883 20 30 FFEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000432964258 514337667 /nfs/dbraw/zinc/33/76/67/514337667.db2.gz FNBFEFXNXRRFDQ-JTQLQIEISA-N -1 1 371.178 2.940 20 30 FFEDMM C[C@H]1C[C@]1(C#N)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000449819945 514371073 /nfs/dbraw/zinc/37/10/73/514371073.db2.gz KDQGBLPAKYJQJG-WPPNPWJKSA-N -1 1 351.229 2.811 20 30 FFEDMM Cc1[n-][nH]c(=NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c1C#N ZINC000508495081 514798233 /nfs/dbraw/zinc/79/82/33/514798233.db2.gz XHLWITBEHIKZIR-UHFFFAOYSA-N -1 1 359.433 2.896 20 30 FFEDMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc2oc1=O ZINC000466972495 514845889 /nfs/dbraw/zinc/84/58/89/514845889.db2.gz GCKZMNLFTLSDAI-UHFFFAOYSA-N -1 1 357.391 2.595 20 30 FFEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000476513551 515079927 /nfs/dbraw/zinc/07/99/27/515079927.db2.gz POXAGUUBXYPNJT-UHFFFAOYSA-N -1 1 360.391 2.899 20 30 FFEDMM N#Cc1ccc(C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)cc1[O-] ZINC000499231343 515249551 /nfs/dbraw/zinc/24/95/51/515249551.db2.gz UXHIUXQFHVBATA-UHFFFAOYSA-N -1 1 354.381 2.925 20 30 FFEDMM Cc1nn2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cnc2c1Cl ZINC000499263177 515259210 /nfs/dbraw/zinc/25/92/10/515259210.db2.gz DVFWAGXDKVGBBS-UHFFFAOYSA-N -1 1 365.777 2.503 20 30 FFEDMM Cc1cccc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1C#N ZINC000504507773 515317752 /nfs/dbraw/zinc/31/77/52/515317752.db2.gz MWGVDTQIIPDVNP-UHFFFAOYSA-N -1 1 360.391 2.521 20 30 FFEDMM CC(C)(C)N=c1[n-]nc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000463105594 515369908 /nfs/dbraw/zinc/36/99/08/515369908.db2.gz HFALCIBPTKRZGK-QGZVFWFLSA-N -1 1 369.469 2.930 20 30 FFEDMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000486525096 515523183 /nfs/dbraw/zinc/52/31/83/515523183.db2.gz DWKPJFXMDBZPLE-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000463525532 515535877 /nfs/dbraw/zinc/53/58/77/515535877.db2.gz LQZCYCPOJPBXHM-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(OC)c1 ZINC000488209969 516159420 /nfs/dbraw/zinc/15/94/20/516159420.db2.gz AJPGENMODKBMMH-UHFFFAOYSA-N -1 1 366.370 2.524 20 30 FFEDMM COc1cc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(Cl)c1[O-] ZINC000561099899 516378741 /nfs/dbraw/zinc/37/87/41/516378741.db2.gz CJBSFXQEOOLIEK-CYBMUJFWSA-N -1 1 373.796 2.614 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)o1 ZINC000557839928 516463736 /nfs/dbraw/zinc/46/37/36/516463736.db2.gz PHEJTJPFOVQVBD-JTQLQIEISA-N -1 1 369.805 2.501 20 30 FFEDMM N#C[C@H](C(=O)c1cccnn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000528912589 516790890 /nfs/dbraw/zinc/79/08/90/516790890.db2.gz JUXDHXXTGNJYKC-SNVBAGLBSA-N -1 1 351.391 2.556 20 30 FFEDMM N#Cc1cccc(C2([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)c1 ZINC000556406755 517413747 /nfs/dbraw/zinc/41/37/47/517413747.db2.gz CZWNOFAULOHMKK-UHFFFAOYSA-N -1 1 359.357 2.676 20 30 FFEDMM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000546075007 517530360 /nfs/dbraw/zinc/53/03/60/517530360.db2.gz CXVGKDFTIVZQDO-AWEZNQCLSA-N -1 1 358.504 2.748 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCO[C@@H]2CCCc3ccccc32)o1 ZINC000553495171 517745177 /nfs/dbraw/zinc/74/51/77/517745177.db2.gz UMQISIYZWNNUHR-QGZVFWFLSA-N -1 1 360.435 2.914 20 30 FFEDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000553908777 517964208 /nfs/dbraw/zinc/96/42/08/517964208.db2.gz CGLZKODFVCHHIM-FVMDXXJSSA-N -1 1 350.346 2.637 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(Cl)cn1 ZINC000550429556 518049462 /nfs/dbraw/zinc/04/94/62/518049462.db2.gz BYGYNWRQHFGLDR-QMMMGPOBSA-N -1 1 357.769 2.924 20 30 FFEDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)n[nH]1 ZINC000564130206 518318242 /nfs/dbraw/zinc/31/82/42/518318242.db2.gz BPYBORPBWVQAGN-UHFFFAOYSA-N -1 1 356.407 2.769 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCc3ccccc32)c1 ZINC000578809270 518382054 /nfs/dbraw/zinc/38/20/54/518382054.db2.gz DYDANCNEEGCOBE-HNNXBMFYSA-N -1 1 367.352 2.636 20 30 FFEDMM COc1ccc(Nc2n[nH]c([N-]S(=O)(=O)CCCCF)c2C#N)cc1 ZINC000579156969 518547776 /nfs/dbraw/zinc/54/77/76/518547776.db2.gz MCUGPPJZVKEING-UHFFFAOYSA-N -1 1 367.406 2.525 20 30 FFEDMM C=CCCCN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000564719770 518581817 /nfs/dbraw/zinc/58/18/17/518581817.db2.gz BUWHUKPQAWCQBO-UHFFFAOYSA-N -1 1 365.282 2.696 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(CCC#N)CC1 ZINC000567738159 518685906 /nfs/dbraw/zinc/68/59/06/518685906.db2.gz BOCYJXNLIAXUGA-UHFFFAOYSA-N -1 1 355.442 2.527 20 30 FFEDMM COC(=O)CSCc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589177525 518939714 /nfs/dbraw/zinc/93/97/14/518939714.db2.gz BSJUIIKQCCFJIO-UHFFFAOYSA-N -1 1 356.403 2.922 20 30 FFEDMM CCOc1c(OC)cc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589175209 518940121 /nfs/dbraw/zinc/94/01/21/518940121.db2.gz XOUDWJBHCJSMQP-UHFFFAOYSA-N -1 1 356.378 2.610 20 30 FFEDMM COc1cccc([C@@H](C)N2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000589178057 518942543 /nfs/dbraw/zinc/94/25/43/518942543.db2.gz SIAWSIANKWZUGB-OAHLLOKOSA-N -1 1 365.433 2.791 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC23CC3)cc1Br ZINC000580052376 518981373 /nfs/dbraw/zinc/98/13/73/518981373.db2.gz QVQGVDALVZJGEF-SECBINFHSA-N -1 1 359.220 2.538 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(CC(=O)OC)c1 ZINC000574209495 519040454 /nfs/dbraw/zinc/04/04/54/519040454.db2.gz PRCHKNRKSWZYJD-UHFFFAOYSA-N -1 1 373.434 2.506 20 30 FFEDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000568457574 519045535 /nfs/dbraw/zinc/04/55/35/519045535.db2.gz FJZQFAHQYACQNL-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C#N)C3)cc2)ccc1F ZINC000590484758 519246026 /nfs/dbraw/zinc/24/60/26/519246026.db2.gz MUOAAJDTKGDNGR-UHFFFAOYSA-N -1 1 373.409 2.531 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C2(C3CC3)CC2)cc1Br ZINC000590749700 519347720 /nfs/dbraw/zinc/34/77/20/519347720.db2.gz NHEJOJLPQNUENY-UHFFFAOYSA-N -1 1 359.220 2.681 20 30 FFEDMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(Cl)c1 ZINC000577995237 519360446 /nfs/dbraw/zinc/36/04/46/519360446.db2.gz SBWRBEBXRPUGQL-UHFFFAOYSA-N -1 1 365.798 2.503 20 30 FFEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(C)nc3)nc(=O)c2c1C ZINC000616177134 519933246 /nfs/dbraw/zinc/93/32/46/519933246.db2.gz ZMRRAHVTWRZYPJ-LBPRGKRZSA-N -1 1 353.407 2.963 20 30 FFEDMM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000595353656 520423225 /nfs/dbraw/zinc/42/32/25/520423225.db2.gz KNAQWSFWBSSARY-JKSUJKDBSA-N -1 1 350.465 2.656 20 30 FFEDMM C[C@@]1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000598405155 520601843 /nfs/dbraw/zinc/60/18/43/520601843.db2.gz HJKHIKKTMDGDLI-IBGZPJMESA-N -1 1 369.446 2.863 20 30 FFEDMM C[C@]1(C#N)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000598405032 520602141 /nfs/dbraw/zinc/60/21/41/520602141.db2.gz GOXGJYYTZKLWNB-LJQANCHMSA-N -1 1 369.446 2.863 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1 ZINC000617636322 520616319 /nfs/dbraw/zinc/61/63/19/520616319.db2.gz KJRUMXQKGZBXFZ-FPOVZHCZSA-N -1 1 368.408 2.907 20 30 FFEDMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593205329 520825306 /nfs/dbraw/zinc/82/53/06/520825306.db2.gz XEPBTQZYCSCVRH-UHFFFAOYSA-N -1 1 371.462 2.925 20 30 FFEDMM CCOc1ccccc1N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614292883 520895062 /nfs/dbraw/zinc/89/50/62/520895062.db2.gz FJNJRWJYDGCHEO-UHFFFAOYSA-N -1 1 351.406 2.625 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c1 ZINC000614298516 520896387 /nfs/dbraw/zinc/89/63/87/520896387.db2.gz QZNUHLGGDKZHOS-UHFFFAOYSA-N -1 1 374.356 2.802 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000614298440 520896963 /nfs/dbraw/zinc/89/69/63/520896963.db2.gz WSMWTVHUAXXIJW-UHFFFAOYSA-N -1 1 354.381 2.881 20 30 FFEDMM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)n1 ZINC000593567663 521081444 /nfs/dbraw/zinc/08/14/44/521081444.db2.gz CSHFGRBXPFFDFH-UHFFFAOYSA-N -1 1 351.453 2.671 20 30 FFEDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461834 521579230 /nfs/dbraw/zinc/57/92/30/521579230.db2.gz QXYQXYTYKFJINP-UHFFFAOYSA-N -1 1 357.435 2.612 20 30 FFEDMM C=CCCCCCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735408870 598876638 /nfs/dbraw/zinc/87/66/38/598876638.db2.gz TYVUCTWLQGZDJL-UHFFFAOYSA-N -1 1 369.878 2.887 20 30 FFEDMM C=CCCCCCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000735408870 598876639 /nfs/dbraw/zinc/87/66/39/598876639.db2.gz TYVUCTWLQGZDJL-UHFFFAOYSA-N -1 1 369.878 2.887 20 30 FFEDMM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)S1 ZINC000822361704 599379439 /nfs/dbraw/zinc/37/94/39/599379439.db2.gz HAZRGBJQBXIEIN-JYRVWZFOSA-N -1 1 352.379 2.660 20 30 FFEDMM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)S1 ZINC000822361704 599379443 /nfs/dbraw/zinc/37/94/43/599379443.db2.gz HAZRGBJQBXIEIN-JYRVWZFOSA-N -1 1 352.379 2.660 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)cc2C(F)(F)F)o1 ZINC000822424267 607371977 /nfs/dbraw/zinc/37/19/77/607371977.db2.gz VHJPGLCSCNIPPZ-UHFFFAOYSA-N -1 1 355.255 2.767 20 30 FFEDMM C=CCCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000735413385 599469472 /nfs/dbraw/zinc/46/94/72/599469472.db2.gz SYSXOKIQJMANBS-UHFFFAOYSA-N -1 1 358.471 2.899 20 30 FFEDMM CCc1cc(N=NCc2cc(C(=O)[O-])ccc2O)nc(-c2ccccn2)n1 ZINC000737251267 600142447 /nfs/dbraw/zinc/14/24/47/600142447.db2.gz BUECPIPIGPJNDY-UHFFFAOYSA-N -1 1 363.377 2.951 20 30 FFEDMM N#Cc1cccc(OCC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000739140690 600143774 /nfs/dbraw/zinc/14/37/74/600143774.db2.gz YMNCVUWOWSYSPO-UHFFFAOYSA-N -1 1 360.797 2.883 20 30 FFEDMM N#Cc1cccc(OCC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000739140690 600143775 /nfs/dbraw/zinc/14/37/75/600143775.db2.gz YMNCVUWOWSYSPO-UHFFFAOYSA-N -1 1 360.797 2.883 20 30 FFEDMM C=C(C)COc1cccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000825648015 601131206 /nfs/dbraw/zinc/13/12/06/601131206.db2.gz ZDTDQDUIEQECHG-OAHLLOKOSA-N -1 1 361.442 2.654 20 30 FFEDMM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)[nH]n2)o1 ZINC000832906010 601349492 /nfs/dbraw/zinc/34/94/92/601349492.db2.gz NHOQOTLHRCYWFO-MRXNPFEDSA-N -1 1 351.318 2.833 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000832888125 601534925 /nfs/dbraw/zinc/53/49/25/601534925.db2.gz DRRZGJCZBGFKAN-ZFWWWQNUSA-N -1 1 363.845 2.548 20 30 FFEDMM O=c1c(-c2nn[n-]n2)cn(CC#Cc2ccccc2Cl)c2ccccc12 ZINC000826501457 607546751 /nfs/dbraw/zinc/54/67/51/607546751.db2.gz QWYDABXDWPYVCN-UHFFFAOYSA-N -1 1 361.792 2.887 20 30 FFEDMM C=CCc1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000823937071 607575875 /nfs/dbraw/zinc/57/58/75/607575875.db2.gz HAOWKQYBWRXBTN-UHFFFAOYSA-N -1 1 360.370 2.502 20 30 FFEDMM C=CCc1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000823937071 607575877 /nfs/dbraw/zinc/57/58/77/607575877.db2.gz HAOWKQYBWRXBTN-UHFFFAOYSA-N -1 1 360.370 2.502 20 30 FFEDMM Cc1cc(C)n(N=Cc2cccc(-c3ccccn3)c2)c(=O)c1-c1nn[n-]n1 ZINC000826265625 607654001 /nfs/dbraw/zinc/65/40/01/607654001.db2.gz HMNDEABRQOEPND-UHFFFAOYSA-N -1 1 371.404 2.589 20 30 FFEDMM CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000827589383 604220961 /nfs/dbraw/zinc/22/09/61/604220961.db2.gz IXFBLLPNUCCDIE-AWEZNQCLSA-N -1 1 355.350 2.571 20 30 FFEDMM N#C[C@@H](C(=O)[C@@H](CC(F)F)NC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000833961822 606084737 /nfs/dbraw/zinc/08/47/37/606084737.db2.gz XMBJBKAQDAJENM-IONNQARKSA-N -1 1 372.278 2.899 20 30 FFEDMM C#CCOc1ccccc1[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819710245 606178075 /nfs/dbraw/zinc/17/80/75/606178075.db2.gz ZTALRHGKOQKLHD-LLVKDONJSA-N -1 1 354.391 2.858 20 30 FFEDMM C#CCOc1ccccc1[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819710245 606178077 /nfs/dbraw/zinc/17/80/77/606178077.db2.gz ZTALRHGKOQKLHD-LLVKDONJSA-N -1 1 354.391 2.858 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(NN=Cc2c(C)nc3scc(C4CC4)n23)o1 ZINC000822422768 606989572 /nfs/dbraw/zinc/98/95/72/606989572.db2.gz CLUXFMHZXLNESG-UHFFFAOYSA-N -1 1 369.414 2.504 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc3[nH]ccc32)o1 ZINC000824280223 607886460 /nfs/dbraw/zinc/88/64/60/607886460.db2.gz HCZOCFONAMZDHD-UHFFFAOYSA-N -1 1 350.386 2.981 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000826179090 608093399 /nfs/dbraw/zinc/09/33/99/608093399.db2.gz YXKGUYXOPUIXAZ-SNAWJCMRSA-N -1 1 372.406 2.850 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000826179090 608093400 /nfs/dbraw/zinc/09/34/00/608093400.db2.gz YXKGUYXOPUIXAZ-SNAWJCMRSA-N -1 1 372.406 2.850 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cn(C)nc2C(C)(C)C)o1 ZINC000824280178 608749152 /nfs/dbraw/zinc/74/91/52/608749152.db2.gz FSXFQQRRDOHVJN-UHFFFAOYSA-N -1 1 371.449 2.530 20 30 FFEDMM COc1ccc(O)cc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000826210333 609518028 /nfs/dbraw/zinc/51/80/28/609518028.db2.gz NBUIHSJFJJLSRM-UHFFFAOYSA-N -1 1 371.401 2.703 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cccc1N1CCOC1=O ZINC000743267496 735287048 /nfs/dbraw/zinc/28/70/48/735287048.db2.gz APSGVCUPVXACOC-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM C[C@@H]1C[C@@H]1c1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000746491426 735487668 /nfs/dbraw/zinc/48/76/68/735487668.db2.gz DAECZTPHSMWIFJ-ABAIWWIYSA-N -1 1 363.395 2.765 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000185292960 729345993 /nfs/dbraw/zinc/34/59/93/729345993.db2.gz VJIVMTHMLNPRPR-ZDUSSCGKSA-N -1 1 360.410 2.686 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000185322927 729346614 /nfs/dbraw/zinc/34/66/14/729346614.db2.gz JEQRYHDGRIOLIB-CYBMUJFWSA-N -1 1 360.410 2.686 20 30 FFEDMM C#CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000191037526 729413947 /nfs/dbraw/zinc/41/39/47/729413947.db2.gz YHZIMJKXQHBOHN-UHFFFAOYSA-N -1 1 356.447 2.809 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)cc1Cl ZINC000194152494 729501514 /nfs/dbraw/zinc/50/15/14/729501514.db2.gz SAEPRIBGZATPQJ-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM C#CCN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S ZINC000221715722 729545929 /nfs/dbraw/zinc/54/59/29/729545929.db2.gz YKSCLZXRCVZIRW-YRNVUSSQSA-N -1 1 354.250 2.989 20 30 FFEDMM CC(=NN(C)C[C@H](C)O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863119260 730750979 /nfs/dbraw/zinc/75/09/79/730750979.db2.gz AYYSVXGYIDZBLU-AWEZNQCLSA-N -1 1 361.467 2.524 20 30 FFEDMM C=C(C)[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)c1ccc(F)c(F)c1 ZINC000867122863 731146506 /nfs/dbraw/zinc/14/65/06/731146506.db2.gz RXUOFRWUPNFMKX-LRTDBIEQSA-N -1 1 352.428 2.534 20 30 FFEDMM N#CC[C@@H]1CCCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC000869230653 731377432 /nfs/dbraw/zinc/37/74/32/731377432.db2.gz JCVDYYZVZIWAKG-JTQLQIEISA-N -1 1 370.190 2.763 20 30 FFEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000872462591 731773030 /nfs/dbraw/zinc/77/30/30/731773030.db2.gz CPCYJVHQFDNCKM-JLCFBVMHSA-N -1 1 357.501 2.762 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccncc1 ZINC000881905066 733133223 /nfs/dbraw/zinc/13/32/23/733133223.db2.gz QLRKCWMNPRCNLK-WAIKUNEKSA-N -1 1 371.528 2.964 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cc(Cl)cs2)cc1 ZINC000782218114 738699636 /nfs/dbraw/zinc/69/96/36/738699636.db2.gz AEJIFASVHIFEDX-UHFFFAOYSA-N -1 1 359.816 2.763 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N(C)Cc2cc(C#N)cs2)c(=O)[n-]1 ZINC000887973908 733998985 /nfs/dbraw/zinc/99/89/85/733998985.db2.gz VOFMYIFKFPMAIH-UHFFFAOYSA-N -1 1 362.480 2.737 20 30 FFEDMM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000717900146 734375444 /nfs/dbraw/zinc/37/54/44/734375444.db2.gz QSRPQHKZQJNTBV-SECBINFHSA-N -1 1 356.658 2.699 20 30 FFEDMM N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360109 734633255 /nfs/dbraw/zinc/63/32/55/734633255.db2.gz QNTICTQBSNYVJB-UHFFFAOYSA-N -1 1 370.192 2.512 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2C)cc1 ZINC000730996470 734661574 /nfs/dbraw/zinc/66/15/74/734661574.db2.gz RXFBGHUBJMGVSB-UHFFFAOYSA-N -1 1 359.403 2.594 20 30 FFEDMM Cc1ccc2[nH]cc(C=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1 ZINC000748248695 735630264 /nfs/dbraw/zinc/63/02/64/735630264.db2.gz UYCLYSOABGJPHU-UHFFFAOYSA-N -1 1 358.379 2.697 20 30 FFEDMM COc1ccccc1/C=C/C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748254555 735630684 /nfs/dbraw/zinc/63/06/84/735630684.db2.gz BOXNVQAOAKYWPE-JVQRMRGBSA-N -1 1 361.379 2.581 20 30 FFEDMM COc1c(C)cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000748254832 735630809 /nfs/dbraw/zinc/63/08/09/735630809.db2.gz IVXLNWOWNWWGPY-UHFFFAOYSA-N -1 1 363.395 2.533 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901620521 735807052 /nfs/dbraw/zinc/80/70/52/735807052.db2.gz XCQSVBTZPAGUKA-GOSISDBHSA-N -1 1 356.451 2.996 20 30 FFEDMM COCc1nc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)cs1 ZINC000755364892 736251273 /nfs/dbraw/zinc/25/12/73/736251273.db2.gz ALDBDMIFIWWECO-UHFFFAOYSA-N -1 1 352.759 2.975 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@H](C3CCOCC3)C2)c2ccccc21 ZINC000905436887 736340775 /nfs/dbraw/zinc/34/07/75/736340775.db2.gz SPUPLGFXWFLPKO-AWEZNQCLSA-N -1 1 361.467 2.698 20 30 FFEDMM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000907946456 736693376 /nfs/dbraw/zinc/69/33/76/736693376.db2.gz QOOKHXZXBXQECX-UHFFFAOYSA-N -1 1 353.831 2.976 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCc2ccc(Cl)cc21 ZINC000762450875 736824687 /nfs/dbraw/zinc/82/46/87/736824687.db2.gz ZBVFJOUGTMZLNY-UHFFFAOYSA-N -1 1 365.798 2.877 20 30 FFEDMM CC(C)CC(Cc1ccc(Cl)cc1Cl)N=NC1=NC(=O)C(=O)[N-]1 ZINC000765592280 737136225 /nfs/dbraw/zinc/13/62/25/737136225.db2.gz GEXSOVYORLPASR-UHFFFAOYSA-N -1 1 355.225 2.540 20 30 FFEDMM COC[C@H](C)NC(=S)NN=C(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000765994354 737181497 /nfs/dbraw/zinc/18/14/97/737181497.db2.gz DSOBLNWMOJJJPB-ZETCQYMHSA-N -1 1 350.271 2.922 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1sc(Nc2ccccc2)nc1Cl ZINC000766479259 737233225 /nfs/dbraw/zinc/23/32/25/737233225.db2.gz XSWFXLUSDCUSKC-UHFFFAOYSA-N -1 1 364.843 2.663 20 30 FFEDMM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C=Nn1c(=O)cn[n-]c1=S ZINC000766476892 737233299 /nfs/dbraw/zinc/23/32/99/737233299.db2.gz DIYJPRWANDTVLI-UHFFFAOYSA-N -1 1 374.857 2.574 20 30 FFEDMM [O-]c1ccc(C=NNC(=S)Nc2ccccn2)cc1Br ZINC000767804201 737370040 /nfs/dbraw/zinc/37/00/40/737370040.db2.gz DJSBODBOGXLPGP-UHFFFAOYSA-N -1 1 351.229 2.870 20 30 FFEDMM C=CC[C@H](C)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914124920 737511726 /nfs/dbraw/zinc/51/17/26/737511726.db2.gz RGLHMXDGUSUONV-CWKPULSASA-N -1 1 356.391 2.832 20 30 FFEDMM O=C([N-]C[C@@H](CO)Cc1ccccc1C(F)(F)F)C(F)(F)C(F)F ZINC000769617750 737547243 /nfs/dbraw/zinc/54/72/43/737547243.db2.gz WDGBCAFVDHWHPE-QMMMGPOBSA-N -1 1 361.257 2.873 20 30 FFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(C)ccc1OC ZINC000771552016 737734774 /nfs/dbraw/zinc/73/47/74/737734774.db2.gz YPSYPSYNRDPHDR-UHFFFAOYSA-N -1 1 357.435 2.856 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-][C@H]2c3ccccc3OC[C@H]2F)CCCCC1 ZINC000921319407 737960504 /nfs/dbraw/zinc/96/05/04/737960504.db2.gz OXVINKATGMUKEP-ZBFHGGJFSA-N -1 1 352.431 2.852 20 30 FFEDMM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000785399799 738960999 /nfs/dbraw/zinc/96/09/99/738960999.db2.gz SJKWMIHCNPAHCE-AWEZNQCLSA-N -1 1 361.354 2.571 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000785755437 738995759 /nfs/dbraw/zinc/99/57/59/738995759.db2.gz XSGDKEJLOGWCKW-KRWDZBQOSA-N -1 1 355.337 2.690 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)cc1Cl ZINC000790351266 739442009 /nfs/dbraw/zinc/44/20/09/739442009.db2.gz KGVVPOWKJODWNO-UHFFFAOYSA-N -1 1 361.810 2.749 20 30 FFEDMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000790382692 739446182 /nfs/dbraw/zinc/44/61/82/739446182.db2.gz ZABUNXPVINQSPZ-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM C=CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000794028744 739842709 /nfs/dbraw/zinc/84/27/09/739842709.db2.gz KMNPZZIIMHAXKM-UHFFFAOYSA-N -1 1 357.375 2.688 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(C)(C)CCC#N)o1 ZINC000798876737 740369874 /nfs/dbraw/zinc/36/98/74/740369874.db2.gz GKEDPJSQEBNTHN-UHFFFAOYSA-N -1 1 356.444 2.843 20 30 FFEDMM CC1N=NC(=S)N1c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000800636390 740539681 /nfs/dbraw/zinc/53/96/81/740539681.db2.gz HHVSGCLOOGTVLD-UHFFFAOYSA-N -1 1 351.391 2.694 20 30 FFEDMM CC(=NNc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)cc(F)c1[O-] ZINC000812231294 741598788 /nfs/dbraw/zinc/59/87/88/741598788.db2.gz SUOXAMWHVBHADF-UHFFFAOYSA-N -1 1 369.393 2.757 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=C2COc3cc(F)c(Br)cc32)n1 ZINC000814682253 741857185 /nfs/dbraw/zinc/85/71/85/741857185.db2.gz HCRWNTZKGBBBBA-UHFFFAOYSA-N -1 1 353.151 2.601 20 30 FFEDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H](O)c1ccc(Cl)cc1 ZINC000851862782 749708669 /nfs/dbraw/zinc/70/86/69/749708669.db2.gz GHEKOCDXOAXKOC-HZPDHXFCSA-N -1 1 368.842 2.841 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCC#N)cc2)c1 ZINC000490671439 845921010 /nfs/dbraw/zinc/92/10/10/845921010.db2.gz KZVUWUOCNMWWMY-UHFFFAOYSA-N -1 1 357.435 2.748 20 30 FFEDMM C=C[C@H](CC)CC(=O)N[C@@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573314707 947235770 /nfs/dbraw/zinc/23/57/70/947235770.db2.gz FFTRWWHYIDUEPT-CMPLNLGQSA-N -1 1 363.491 2.541 20 30 FFEDMM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826476029 948376950 /nfs/dbraw/zinc/37/69/50/948376950.db2.gz ZFVSYNIWHBLCHB-CLTKARDFSA-N -1 1 373.325 2.634 20 30 FFEDMM CN1CCN(c2ccc(Nc3ccc(CC(=O)[O-])cc3)cc2C#N)CC1 ZINC001174953880 1013351925 /nfs/dbraw/zinc/35/19/25/1013351925.db2.gz RPDSHGMVBOBFBN-UHFFFAOYSA-N -1 1 350.422 2.681 20 30 FFEDMM COC(=O)[C@@H](Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1)C1CCOCC1 ZINC001167400269 962775677 /nfs/dbraw/zinc/77/56/77/962775677.db2.gz LESZKADOOLDNMA-IEEVUCOHSA-N -1 1 360.332 2.894 20 30 FFEDMM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)c1)c1nnc2n1CCCCC2 ZINC000647194586 964695342 /nfs/dbraw/zinc/69/53/42/964695342.db2.gz FAENYYDXNSXDSW-MRXNPFEDSA-N -1 1 364.384 2.819 20 30 FFEDMM C=CC[C@H](NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccncc1 ZINC000875298818 1014007976 /nfs/dbraw/zinc/00/79/76/1014007976.db2.gz BMOWSFMUBDHLPJ-XJKSGUPXSA-N -1 1 370.375 2.551 20 30 FFEDMM N#Cc1c[nH]c2ncc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)cc12 ZINC001167939795 978241515 /nfs/dbraw/zinc/24/15/15/978241515.db2.gz QISOMYDTAUARIM-UHFFFAOYSA-N -1 1 354.306 2.519 20 30 FFEDMM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000152158627 979082106 /nfs/dbraw/zinc/08/21/06/979082106.db2.gz WDQBGHXXHVPBCG-QGZVFWFLSA-N -1 1 372.446 2.920 20 30 FFEDMM C#CCN1CC[C@]2(CCCN(C(=O)c3ccc([O-])cc3Cl)CC2)C1=O ZINC001271915371 979269055 /nfs/dbraw/zinc/26/90/55/979269055.db2.gz OUGYKGBEHPKZGO-LJQANCHMSA-N -1 1 360.841 2.524 20 30 FFEDMM C=CCC[C@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908807171 981540825 /nfs/dbraw/zinc/54/08/25/981540825.db2.gz NHRDRYKIGZAFNZ-KRWDZBQOSA-N -1 1 359.470 2.542 20 30 FFEDMM C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000909269543 981662215 /nfs/dbraw/zinc/66/22/15/981662215.db2.gz QRECJHPILHTRFF-CQSZACIVSA-N -1 1 370.457 2.652 20 30 FFEDMM CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000761267812 985030105 /nfs/dbraw/zinc/03/01/05/985030105.db2.gz WBLHMZGSPGDXCS-SNVBAGLBSA-N -1 1 369.385 2.644 20 30 FFEDMM COc1ccc2ccccc2c1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914600264 987813641 /nfs/dbraw/zinc/81/36/41/987813641.db2.gz ULUQPDPYIPTYBT-UHFFFAOYSA-N -1 1 365.414 2.921 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1cccc2ccccc21 ZINC000921386338 991067775 /nfs/dbraw/zinc/06/77/75/991067775.db2.gz MCZMHGDDIOSBDJ-KRWDZBQOSA-N -1 1 372.446 2.667 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)c1 ZINC000134771558 991112744 /nfs/dbraw/zinc/11/27/44/991112744.db2.gz KAZPQJJZFYIAHN-UHFFFAOYSA-N -1 1 372.446 2.914 20 30 FFEDMM CC(C)C[C@@H](CN1CCC(C#N)(C(=O)[O-])CC1)NC(=O)OC(C)(C)C ZINC001591143709 991871944 /nfs/dbraw/zinc/87/19/44/991871944.db2.gz BSCPHTDYYPOYMP-AWEZNQCLSA-N -1 1 353.463 2.616 20 30 FFEDMM C[C@](O)(C1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1)C(F)(F)F ZINC001593382346 995096917 /nfs/dbraw/zinc/09/69/17/995096917.db2.gz XKGLYLABAFQUJR-HOCLYGCPSA-N -1 1 356.344 2.709 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(N2CCCNC2=O)c1 ZINC000743263912 999809612 /nfs/dbraw/zinc/80/96/12/999809612.db2.gz LTKUQICRSGGCGH-UHFFFAOYSA-N -1 1 370.434 2.587 20 30 FFEDMM Cn1ncc2c1[n-]c(NN=CC=C1N(C)c3ccccc3C1(C)C)nc2=O ZINC000769819777 1000599006 /nfs/dbraw/zinc/59/90/06/1000599006.db2.gz YCTUSMNMLDEKAK-IHXCVFSQSA-N -1 1 363.425 2.778 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1ccc(=O)[nH]c1 ZINC001147143743 1000843235 /nfs/dbraw/zinc/84/32/35/1000843235.db2.gz NATIJMIIODXFDR-UFWORHAWSA-N -1 1 367.390 2.574 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1cscn1 ZINC001147360507 1000880202 /nfs/dbraw/zinc/88/02/02/1000880202.db2.gz HDRSRESWYGZSGL-OMCISZLKSA-N -1 1 357.420 2.930 20 30 FFEDMM Cc1c(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cnn1C ZINC001147458091 1000894439 /nfs/dbraw/zinc/89/44/39/1000894439.db2.gz LEFKXPLOGHSZJB-QGMBQPNBSA-N -1 1 368.422 2.516 20 30 FFEDMM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785590101 1001455093 /nfs/dbraw/zinc/45/50/93/1001455093.db2.gz ILJOSRJDMAZAFH-IBGZPJMESA-N -1 1 361.442 2.933 20 30 FFEDMM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785569271 1001458810 /nfs/dbraw/zinc/45/88/10/1001458810.db2.gz YJFNLVVEIBGZPD-HNNXBMFYSA-N -1 1 359.426 2.735 20 30 FFEDMM N#Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)nc2)c1Br ZINC001185049036 1002784703 /nfs/dbraw/zinc/78/47/03/1002784703.db2.gz AATXTQRWHDLFQS-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM CC[C@@H](NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1)C(=O)[O-] ZINC000793070797 1003270142 /nfs/dbraw/zinc/27/01/42/1003270142.db2.gz ADZCCTUTMBKMAZ-QGZVFWFLSA-N -1 1 355.442 2.568 20 30 FFEDMM C=CCc1c(F)c(F)c(C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)c(F)c1F ZINC001186713633 1003397158 /nfs/dbraw/zinc/39/71/58/1003397158.db2.gz QWJRJEVYDQOYNH-UHFFFAOYSA-N -1 1 372.234 2.823 20 30 FFEDMM N#C[C@@H]([N-]S(=O)(=O)c1c(Cl)nc2sccn21)c1ccc(F)cc1 ZINC001187159306 1003571986 /nfs/dbraw/zinc/57/19/86/1003571986.db2.gz VBFKAANSXONRAN-SNVBAGLBSA-N -1 1 370.818 2.731 20 30 FFEDMM CC[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000780156663 1016795289 /nfs/dbraw/zinc/79/52/89/1016795289.db2.gz GMBJWOFJHMBPEK-OAHLLOKOSA-N -1 1 374.418 2.955 20 30 FFEDMM C=CCOc1cc(OC)ccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129638759 1003732253 /nfs/dbraw/zinc/73/22/53/1003732253.db2.gz DKSCBRKEJAWUEE-UHFFFAOYSA-N -1 1 355.394 2.887 20 30 FFEDMM CCN(CCC(=O)OC)C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196318031 1003741158 /nfs/dbraw/zinc/74/11/58/1003741158.db2.gz BNOMCAPLNAYLPM-UHFFFAOYSA-N -1 1 352.390 2.956 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N(CCO)CC(F)(F)F)c2)c1 ZINC001196318525 1003741335 /nfs/dbraw/zinc/74/13/35/1003741335.db2.gz HTJFHYSVAOTULT-UHFFFAOYSA-N -1 1 364.323 2.928 20 30 FFEDMM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196703310 1003920098 /nfs/dbraw/zinc/92/00/98/1003920098.db2.gz BKEYAOGMMMADLE-DAXSKMNVSA-N -1 1 352.721 2.525 20 30 FFEDMM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC001191936328 1004002497 /nfs/dbraw/zinc/00/24/97/1004002497.db2.gz FUSJHAXBJJUDFM-UHFFFAOYSA-N -1 1 350.252 2.720 20 30 FFEDMM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1F ZINC001192085497 1004042500 /nfs/dbraw/zinc/04/25/00/1004042500.db2.gz PPUZBGFARQYMRJ-QLJPJBMISA-N -1 1 368.817 2.751 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(O)c2)ccc1Br ZINC001197271673 1004150565 /nfs/dbraw/zinc/15/05/65/1004150565.db2.gz QLUMKJHHEKYOAL-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197615762 1004281008 /nfs/dbraw/zinc/28/10/08/1004281008.db2.gz BHKHLDUPFQKZBX-HNNXBMFYSA-N -1 1 361.410 2.528 20 30 FFEDMM CC(C)(C)OC(=O)N=c1[nH]c2ccc([N-]S(=O)(=O)CC#N)cc2s1 ZINC001192982607 1004332353 /nfs/dbraw/zinc/33/23/53/1004332353.db2.gz UHAMSYIEMRFRBD-UHFFFAOYSA-N -1 1 368.440 2.909 20 30 FFEDMM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)ccc1OCC#N ZINC000806561787 1004363048 /nfs/dbraw/zinc/36/30/48/1004363048.db2.gz ZWVAFAOEQLTIOD-QHHAFSJGSA-N -1 1 353.330 2.897 20 30 FFEDMM O=C1c2ccccc2C([N-]S(=O)(=O)C[C@H]2CCCO2)=C1c1ccccc1 ZINC001193291490 1004441366 /nfs/dbraw/zinc/44/13/66/1004441366.db2.gz XRRHTXKMVILWRL-OAHLLOKOSA-N -1 1 369.442 2.850 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)OCC ZINC001194187718 1004675239 /nfs/dbraw/zinc/67/52/39/1004675239.db2.gz XBNWNVZWIIUXKH-SNVBAGLBSA-N -1 1 367.254 2.565 20 30 FFEDMM COc1ncccc1S(=O)(=O)[N-]c1cccc(C#N)c1Br ZINC001194718478 1004802771 /nfs/dbraw/zinc/80/27/71/1004802771.db2.gz YFOXIHNRJPGHAC-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM Cc1ccc(-c2ccc(C)cc2C(=O)N([O-])C(=N)c2nonc2N)cc1 ZINC001195684024 1005014869 /nfs/dbraw/zinc/01/48/69/1005014869.db2.gz KJVHELPFRAQNPY-UHFFFAOYSA-N -1 1 351.366 2.793 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Br)c2)cc1C#N ZINC001201292788 1005189488 /nfs/dbraw/zinc/18/94/88/1005189488.db2.gz MPXYJFIXBPWPTB-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001201838039 1005278052 /nfs/dbraw/zinc/27/80/52/1005278052.db2.gz CTUOEVQJBQCUCS-FZMZJTMJSA-N -1 1 368.359 2.930 20 30 FFEDMM C=CCC1(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3ncccc3[O-])C2)CCC1 ZINC001490410117 1005715803 /nfs/dbraw/zinc/71/58/03/1005715803.db2.gz ABPWWJKDPBZYMN-HZPDHXFCSA-N -1 1 371.481 2.748 20 30 FFEDMM C=CCOCCN1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852498962 1006055068 /nfs/dbraw/zinc/05/50/68/1006055068.db2.gz UVFRGBSBZUZARZ-HOTGVXAUSA-N -1 1 374.378 2.865 20 30 FFEDMM CCCCCCCCS(=O)(=O)[N-]c1ccc(OC)nc1C(=O)OC ZINC001188002236 1006361883 /nfs/dbraw/zinc/36/18/83/1006361883.db2.gz ZUVXRWNJYUCGFM-UHFFFAOYSA-N -1 1 358.460 2.979 20 30 FFEDMM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000815908304 1006823221 /nfs/dbraw/zinc/82/32/21/1006823221.db2.gz XYTZYNNFEISTDI-GFCCVEGCSA-N -1 1 371.780 2.873 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(F)c2F)ccc1C#N ZINC001189463513 1007114571 /nfs/dbraw/zinc/11/45/71/1007114571.db2.gz KTLWSUVVBBBSJW-UHFFFAOYSA-N -1 1 366.345 2.565 20 30 FFEDMM C[C@@H](CC#N)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856172377 1007710142 /nfs/dbraw/zinc/71/01/42/1007710142.db2.gz ZBOYFAWEJASZDD-NWANDNLSSA-N -1 1 367.371 2.599 20 30 FFEDMM C#Cc1ccccc1C(=O)N(C(=S)[N-]C(=O)OC)c1ccccc1N ZINC001191116594 1007894380 /nfs/dbraw/zinc/89/43/80/1007894380.db2.gz OKZODGNJUWSTBB-UHFFFAOYSA-N -1 1 353.403 2.538 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)OCCCOc2ccc(C#N)cc2)c1 ZINC000821353327 1008449120 /nfs/dbraw/zinc/44/91/20/1008449120.db2.gz SHZJFGSXNGZXLL-SANMLTNESA-N -1 1 373.430 2.687 20 30 FFEDMM Cc1ccc(COC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1C#N ZINC000859530699 1008546565 /nfs/dbraw/zinc/54/65/65/1008546565.db2.gz VTEQRDKYFAALHV-UHFFFAOYSA-N -1 1 364.405 2.908 20 30 FFEDMM C[C@@H]1CCN(C(=O)NCC2(C#N)CCCCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000822847083 1008789445 /nfs/dbraw/zinc/78/94/45/1008789445.db2.gz AMQGLRSYBSIBHD-OLZOCXBDSA-N -1 1 374.407 2.559 20 30 FFEDMM C#CCC1(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCC1 ZINC000886790104 1008879015 /nfs/dbraw/zinc/87/90/15/1008879015.db2.gz QSPFBJGAYUGRLY-UHFFFAOYSA-N -1 1 350.422 2.547 20 30 FFEDMM Cc1cn2nnc(C(=O)[N-]c3ccccc3S[C@H](C)CC#N)c2c(=O)[nH]1 ZINC001136764061 1009174968 /nfs/dbraw/zinc/17/49/68/1009174968.db2.gz ODXCRVNHNNFONA-LLVKDONJSA-N -1 1 368.422 2.785 20 30 FFEDMM N#CC1(NC(=O)C2(C(=O)[O-])CCCCC2)CCN(Cc2ccccc2)CC1 ZINC001180440693 1009680808 /nfs/dbraw/zinc/68/08/08/1009680808.db2.gz RAJGGOMUMJVPCE-UHFFFAOYSA-N -1 1 369.465 2.696 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)C[C@H](CC#N)c2ccccc2)[n-]c1=O ZINC000889785187 1010114451 /nfs/dbraw/zinc/11/44/51/1010114451.db2.gz CFWQCOGBXQWMLN-HOTGVXAUSA-N -1 1 366.421 2.942 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)[C@@H](C#N)CCc2ccccc2)[n-]c1=O ZINC000889789369 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/nfs/dbraw/zinc/77/76/68/1038777668.db2.gz UAPSCAHGRWUZQZ-UHFFFAOYSA-N -1 1 354.391 2.549 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Br)nc2Cl)cc1 ZINC001258039663 1039137566 /nfs/dbraw/zinc/13/75/66/1039137566.db2.gz WUDKSYXBNVIVNG-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1C#N ZINC001251741458 1039282026 /nfs/dbraw/zinc/28/20/26/1039282026.db2.gz PRXMQOLDGZVVQO-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@](C)(C#N)c1ccccc1Cl ZINC001258464838 1039383499 /nfs/dbraw/zinc/38/34/99/1039383499.db2.gz ACCVOWWDSLDULK-CQSZACIVSA-N -1 1 373.265 2.753 20 30 FFEDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1)C(=O)C2 ZINC001258967719 1039626732 /nfs/dbraw/zinc/62/67/32/1039626732.db2.gz CWWYSAARHKXLNH-QFYYESIMSA-N -1 1 367.858 2.744 20 30 FFEDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(C#N)c(C#N)c1)C(=O)C2 ZINC001258986272 1039642076 /nfs/dbraw/zinc/64/20/76/1039642076.db2.gz GUHBSRMSXXWYFK-RDTXWAMCSA-N -1 1 357.435 2.567 20 30 FFEDMM N#Cc1cnc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(Br)c1 ZINC001259084624 1039698741 /nfs/dbraw/zinc/69/87/41/1039698741.db2.gz GBHQXKOIFKBIBW-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)c(F)ccc2CO)c(Cl)c1 ZINC001259113722 1039721543 /nfs/dbraw/zinc/72/15/43/1039721543.db2.gz XYITYIZIPPYQNN-UHFFFAOYSA-N -1 1 358.753 2.783 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)ccc1F ZINC001259417755 1039987054 /nfs/dbraw/zinc/98/70/54/1039987054.db2.gz ZNLMPIRMFZIDMT-UHFFFAOYSA-N -1 1 356.382 2.743 20 30 FFEDMM COC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259419170 1039989777 /nfs/dbraw/zinc/98/97/77/1039989777.db2.gz MEYMQDDVAVTART-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM N#Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2s1 ZINC001259849650 1040242621 /nfs/dbraw/zinc/24/26/21/1040242621.db2.gz HMHRNNQXVYEDFY-UHFFFAOYSA-N -1 1 359.388 2.697 20 30 FFEDMM COc1ccc(CN2CCC(C#N)CC2)c([O-])c1I ZINC001248482288 1040296928 /nfs/dbraw/zinc/29/69/28/1040296928.db2.gz YJLKWNSKFRJZSV-UHFFFAOYSA-N -1 1 372.206 2.741 20 30 FFEDMM COc1ccc(CN2CCC[C@@H](C#N)C2)c([O-])c1I ZINC001248494304 1040299954 /nfs/dbraw/zinc/29/99/54/1040299954.db2.gz QFTYJBNPWYVMBR-JTQLQIEISA-N -1 1 372.206 2.741 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)[N-]c2c[nH]c(C(F)(F)F)cc2=O)cc1 ZINC001260038387 1040369195 /nfs/dbraw/zinc/36/91/95/1040369195.db2.gz DIXHVIQWLQQWSZ-UHFFFAOYSA-N -1 1 357.313 2.620 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c(F)c1F ZINC001261073466 1040980213 /nfs/dbraw/zinc/98/02/13/1040980213.db2.gz VSECMFOKBNOWRF-UHFFFAOYSA-N -1 1 370.724 2.827 20 30 FFEDMM COc1ncc(Nc2ccc(Cl)c(C#N)c2)cc1[N-]S(C)(=O)=O ZINC001216156702 1041966223 /nfs/dbraw/zinc/96/62/23/1041966223.db2.gz WSUBBHUVOKVWED-UHFFFAOYSA-N -1 1 352.803 2.730 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCc2sccc2[C@@H]1CC ZINC001263304142 1042230497 /nfs/dbraw/zinc/23/04/97/1042230497.db2.gz SWEVGFOTLHYYAJ-ZDUSSCGKSA-N -1 1 370.486 2.533 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCc2sccc2[C@@H]1CC ZINC001263304142 1042230503 /nfs/dbraw/zinc/23/05/03/1042230503.db2.gz SWEVGFOTLHYYAJ-ZDUSSCGKSA-N -1 1 370.486 2.533 20 30 FFEDMM CSc1nc(C)c(CCC(=O)O[C@H](C)CC#Cc2cccnc2)c(=O)[n-]1 ZINC001263508785 1042348125 /nfs/dbraw/zinc/34/81/25/1042348125.db2.gz HLGUQBYIKZLZHI-CYBMUJFWSA-N -1 1 371.462 2.914 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCC2)cc1Br ZINC001309626159 1043459332 /nfs/dbraw/zinc/45/93/32/1043459332.db2.gz POPXRNVHLTXANA-GXFFZTMASA-N -1 1 373.247 2.927 20 30 FFEDMM CC(=O)Oc1cc2ncnc(-c3ccc([O-])c(C#N)c3)c2cc1OC(C)=O ZINC001242563886 1044752627 /nfs/dbraw/zinc/75/26/27/1044752627.db2.gz NLTQZIRUTGIQDM-UHFFFAOYSA-N -1 1 363.329 2.725 20 30 FFEDMM C=C[C@H](COC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC001320317718 1045389018 /nfs/dbraw/zinc/38/90/18/1045389018.db2.gz RULUKLZGGIBERH-MRXNPFEDSA-N -1 1 374.462 2.727 20 30 FFEDMM C=CCC(CC=C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001290308346 1048002039 /nfs/dbraw/zinc/00/20/39/1048002039.db2.gz KADHOCMGHIXDEE-WBVHZDCISA-N -1 1 371.481 2.913 20 30 FFEDMM C=C[C@@](C)(O)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001290933340 1048522991 /nfs/dbraw/zinc/52/29/91/1048522991.db2.gz DREQNRRXWRUCAY-GOSISDBHSA-N -1 1 360.435 2.753 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1Cc2cccc(OC)c2C1 ZINC001341755173 1050370892 /nfs/dbraw/zinc/37/08/92/1050370892.db2.gz CRZOWXONKPMZAE-UHFFFAOYSA-N -1 1 371.832 2.822 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001340415779 1050811363 /nfs/dbraw/zinc/81/13/63/1050811363.db2.gz SDXRTMOYUSKTMY-UHFFFAOYSA-N -1 1 354.414 2.513 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001342279818 1050872607 /nfs/dbraw/zinc/87/26/07/1050872607.db2.gz ORQKGFRXBYFRAR-BXUZGUMPSA-N -1 1 363.849 2.746 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)c1ccc(C#N)c([O-])c1 ZINC001304680662 1051668331 /nfs/dbraw/zinc/66/83/31/1051668331.db2.gz QTUROGSCHUIYPU-MGPUTAFESA-N -1 1 371.437 2.783 20 30 FFEDMM O=S1(=O)[N-]/C(=N/[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC001337736185 1054980503 /nfs/dbraw/zinc/98/05/03/1054980503.db2.gz OQFDVAQJBFQTFH-ZBFHGGJFSA-N -1 1 360.410 2.785 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@H](OC)CC[C@@H]1C ZINC001351921628 1055066649 /nfs/dbraw/zinc/06/66/49/1055066649.db2.gz VVADJUABNJAZAN-NWDGAFQWSA-N -1 1 363.849 2.889 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(F)(C2CC2)CC1 ZINC001352092835 1055187137 /nfs/dbraw/zinc/18/71/37/1055187137.db2.gz CQBDTBIIMZNUHG-UHFFFAOYSA-N -1 1 351.817 2.621 20 30 FFEDMM COc1ccc(CCNC(=S)Nc2ccc(C#N)cc2[O-])cc1OC ZINC001200082486 1055635668 /nfs/dbraw/zinc/63/56/68/1055635668.db2.gz PSSJIXFAOYNGEE-UHFFFAOYSA-N -1 1 357.435 2.810 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@H]1CSC ZINC001338708075 1055748930 /nfs/dbraw/zinc/74/89/30/1055748930.db2.gz DIQYSWWKIWUJOY-ZDUSSCGKSA-N -1 1 372.498 2.836 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001338907513 1055925371 /nfs/dbraw/zinc/92/53/71/1055925371.db2.gz YNURJTXVHQATSJ-CJNGLKHVSA-N -1 1 366.425 2.526 20 30 FFEDMM CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnn[n-]1 ZINC001544466152 1071647142 /nfs/dbraw/zinc/64/71/42/1071647142.db2.gz SQLNMNIPTPJBFY-LBPRGKRZSA-N -1 1 354.455 2.782 20 30 FFEDMM CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn[n-]n1 ZINC001544466152 1071647146 /nfs/dbraw/zinc/64/71/46/1071647146.db2.gz SQLNMNIPTPJBFY-LBPRGKRZSA-N -1 1 354.455 2.782 20 30 FFEDMM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC001455350651 1059768839 /nfs/dbraw/zinc/76/88/39/1059768839.db2.gz LYEQMPJODVTOMB-UHFFFAOYSA-N -1 1 374.404 2.981 20 30 FFEDMM O=C([O-])Cc1ccc(N=NCC2(CN3CCOCC3)CCCCC2)cc1 ZINC000848415232 1059969962 /nfs/dbraw/zinc/96/99/62/1059969962.db2.gz JTQGTDRIWKQLDK-UHFFFAOYSA-N -1 1 359.470 2.994 20 30 FFEDMM Cn1ccnc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC001456921483 1060229444 /nfs/dbraw/zinc/22/94/44/1060229444.db2.gz DTIBBXFFGZQGIC-KRWDZBQOSA-N -1 1 368.343 2.795 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1ccc(Cl)cn1 ZINC001475290413 1061036388 /nfs/dbraw/zinc/03/63/88/1061036388.db2.gz ZQXGRJGNLZIGJZ-VIFPVBQESA-N -1 1 366.786 2.554 20 30 FFEDMM C=CCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)c1ccccc1 ZINC001475627574 1061173488 /nfs/dbraw/zinc/17/34/88/1061173488.db2.gz UPNQSVWEFUTSMA-CQSZACIVSA-N -1 1 364.423 2.837 20 30 FFEDMM C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001522404050 1062126637 /nfs/dbraw/zinc/12/66/37/1062126637.db2.gz QJKLQKRVGSWUJG-XFQAVAEZSA-N -1 1 371.481 2.748 20 30 FFEDMM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC001464426145 1062605295 /nfs/dbraw/zinc/60/52/95/1062605295.db2.gz GGYZBZHHUWEBID-MGCOHNPYSA-N -1 1 360.794 2.858 20 30 FFEDMM N#Cc1ncc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1-c1nn[n-]n1 ZINC001581882325 1079011975 /nfs/dbraw/zinc/01/19/75/1079011975.db2.gz UJFAZLFHSWAVRD-CYBMUJFWSA-N -1 1 352.789 2.523 20 30 FFEDMM N#Cc1nc(Nc2ccc3nc(C4CC4)sc3c2)cnc1-c1nnn[n-]1 ZINC001581881172 1079012707 /nfs/dbraw/zinc/01/27/07/1079012707.db2.gz NSTFYRIYFHTWMW-UHFFFAOYSA-N -1 1 361.394 2.759 20 30 FFEDMM N#Cc1nc(Nc2ccc3nc(C4CC4)sc3c2)cnc1-c1nn[n-]n1 ZINC001581881172 1079012716 /nfs/dbraw/zinc/01/27/16/1079012716.db2.gz NSTFYRIYFHTWMW-UHFFFAOYSA-N -1 1 361.394 2.759 20 30 FFEDMM C=CCONC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001556632839 1075760151 /nfs/dbraw/zinc/76/01/51/1075760151.db2.gz GJLOLRDUWVEECH-UHFFFAOYSA-N -1 1 364.398 2.782 20 30 FFEDMM C=CCONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC001556632928 1075760227 /nfs/dbraw/zinc/76/02/27/1075760227.db2.gz KBBHAUJHZXPVLM-UHFFFAOYSA-N -1 1 374.418 2.537 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@H](NCc2ccccc2)C(F)(F)F)cc1[O-] ZINC001558986293 1076109660 /nfs/dbraw/zinc/10/96/60/1076109660.db2.gz XCHLVHJGLRXIRK-INIZCTEOSA-N -1 1 363.339 2.714 20 30 FFEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)o1 ZINC001561269517 1076355051 /nfs/dbraw/zinc/35/50/51/1076355051.db2.gz IWRSXNHQDUXBHM-HNNXBMFYSA-N -1 1 366.414 2.827 20 30 FFEDMM C[C@@H]1Cc2cc(C[N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)ccc2O1 ZINC001561903923 1076441812 /nfs/dbraw/zinc/44/18/12/1076441812.db2.gz DPDYVDINOSOOIM-SNVBAGLBSA-N -1 1 364.373 2.638 20 30 FFEDMM N#C[C@H]1CN(C(=O)c2ncc3ccccc3c2[O-])CCN1Cc1ccccc1 ZINC001565718744 1076757508 /nfs/dbraw/zinc/75/75/08/1076757508.db2.gz PNGYERKXLLGGJO-SFHVURJKSA-N -1 1 372.428 2.791 20 30 FFEDMM C#CCN(Cc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCCc2ccccc21 ZINC001588351913 1079992709 /nfs/dbraw/zinc/99/27/09/1079992709.db2.gz PHQUQTNGKYPBRC-MRXNPFEDSA-N -1 1 350.451 2.836 20 30 FFEDMM C#CCN(Cc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCCc2ccccc21 ZINC001588351913 1079992715 /nfs/dbraw/zinc/99/27/15/1079992715.db2.gz PHQUQTNGKYPBRC-MRXNPFEDSA-N -1 1 350.451 2.836 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]1CC ZINC001588438458 1080028296 /nfs/dbraw/zinc/02/82/96/1080028296.db2.gz RAAJBOKGUJGKMN-CYBMUJFWSA-N -1 1 354.418 2.673 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]1CC ZINC001588438458 1080028305 /nfs/dbraw/zinc/02/83/05/1080028305.db2.gz RAAJBOKGUJGKMN-CYBMUJFWSA-N -1 1 354.418 2.673 20 30 FFEDMM C=CCn1nc(C)c(-c2cc(C(=O)N(CC(=O)[O-])CC(C)(C)C)n[nH]2)c1C ZINC001588473993 1080040657 /nfs/dbraw/zinc/04/06/57/1080040657.db2.gz AJGLYVWQFMMPHZ-UHFFFAOYSA-N -1 1 373.457 2.649 20 30 FFEDMM C=CC(C)(C)C(=O)N[C@@H](C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001588475822 1080041628 /nfs/dbraw/zinc/04/16/28/1080041628.db2.gz OGNFBEGHPDMYSR-JTQLQIEISA-N -1 1 363.491 2.541 20 30 FFEDMM C#CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)cc2OC)cc1 ZINC001588497414 1080060488 /nfs/dbraw/zinc/06/04/88/1080060488.db2.gz DVTPKXIUUOHROW-LJQANCHMSA-N -1 1 355.390 2.631 20 30 FFEDMM C=CCCCC(=O)NCC[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588590361 1080113675 /nfs/dbraw/zinc/11/36/75/1080113675.db2.gz JMBWBOXINFPKPF-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H](CC)C1 ZINC001588704695 1080162476 /nfs/dbraw/zinc/16/24/76/1080162476.db2.gz OIZLFMRNBDSPCQ-GFCCVEGCSA-N -1 1 354.418 2.531 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H](CC)C1 ZINC001588704695 1080162478 /nfs/dbraw/zinc/16/24/78/1080162478.db2.gz OIZLFMRNBDSPCQ-GFCCVEGCSA-N -1 1 354.418 2.531 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001588705627 1080163174 /nfs/dbraw/zinc/16/31/74/1080163174.db2.gz ZFIODCQCWSQSSO-GXTWGEPZSA-N -1 1 366.429 2.673 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001588705627 1080163179 /nfs/dbraw/zinc/16/31/79/1080163179.db2.gz ZFIODCQCWSQSSO-GXTWGEPZSA-N -1 1 366.429 2.673 20 30 FFEDMM C=C[C@@H]1CCCCN1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001588719093 1080169664 /nfs/dbraw/zinc/16/96/64/1080169664.db2.gz LBAHREHYRKFJHX-CRAIPNDOSA-N -1 1 355.438 2.762 20 30 FFEDMM C=CC[C@@H](C(=O)[O-])N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001588730847 1080173849 /nfs/dbraw/zinc/17/38/49/1080173849.db2.gz XIFLIKPIJXDCKD-ZDUSSCGKSA-N -1 1 357.237 2.781 20 30 FFEDMM CC(C)(C)[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001589095787 1080351543 /nfs/dbraw/zinc/35/15/43/1080351543.db2.gz MTVGLRDBGJUROI-HNNXBMFYSA-N -1 1 352.377 2.867 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3cc(O)ccc32)o1 ZINC001589237656 1080440169 /nfs/dbraw/zinc/44/01/69/1080440169.db2.gz BLZVLYLXHDNUAS-UHFFFAOYSA-N -1 1 353.386 2.620 20 30 FFEDMM CC(=O)c1cc(C#N)ccc1NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001589255554 1080449039 /nfs/dbraw/zinc/44/90/39/1080449039.db2.gz KMVLKHZPXGRSBT-UHFFFAOYSA-N -1 1 364.423 2.538 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CC(=O)[O-])CC1 ZINC001589341432 1080489981 /nfs/dbraw/zinc/48/99/81/1080489981.db2.gz AKUMQFOIFCGUTL-CQSZACIVSA-N -1 1 361.417 2.648 20 30 FFEDMM C[C@@H]1CC(NN=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)C[C@@H](C)O1 ZINC001590205467 1081090115 /nfs/dbraw/zinc/09/01/15/1081090115.db2.gz AHJSAJIHBHNFST-RKDXNWHRSA-N -1 1 352.801 2.539 20 30 FFEDMM C[C@@H]1CC(NN=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)C[C@@H](C)O1 ZINC001590205467 1081090119 /nfs/dbraw/zinc/09/01/19/1081090119.db2.gz AHJSAJIHBHNFST-RKDXNWHRSA-N -1 1 352.801 2.539 20 30 FFEDMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000007054079 203815936 /nfs/dbraw/zinc/81/59/36/203815936.db2.gz FPKUPHOLPYSJHO-UHFFFAOYSA-N -1 1 357.435 2.841 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000287978926 257135590 /nfs/dbraw/zinc/13/55/90/257135590.db2.gz YNDZAKVSSWGALS-HIFRSBDPSA-N -1 1 352.799 2.613 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)o1 ZINC000288483257 257194623 /nfs/dbraw/zinc/19/46/23/257194623.db2.gz LJIRTZXMPQYHLT-AWEZNQCLSA-N -1 1 358.379 2.680 20 30 FFEDMM Cc1nc(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[n-]c(=O)c1C ZINC000331602144 258192590 /nfs/dbraw/zinc/19/25/90/258192590.db2.gz UWUCRSATWMORCU-OAHLLOKOSA-N -1 1 354.435 2.958 20 30 FFEDMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1)C(C)=O ZINC000032599236 506270017 /nfs/dbraw/zinc/27/00/17/506270017.db2.gz GIOHPAQVVCUWDW-UHFFFAOYSA-N -1 1 357.435 2.727 20 30 FFEDMM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1nc2ccccc2s1 ZINC000041504108 506525374 /nfs/dbraw/zinc/52/53/74/506525374.db2.gz ANRVOKCINDNSGG-ZDUSSCGKSA-N -1 1 350.403 2.955 20 30 FFEDMM Cn1c(C2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000068427245 507227891 /nfs/dbraw/zinc/22/78/91/507227891.db2.gz LNVBQJNNLDMRTF-UHFFFAOYSA-N -1 1 373.507 2.848 20 30 FFEDMM C[C@@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000064333301 507790826 /nfs/dbraw/zinc/79/08/26/507790826.db2.gz QHUVQLYKCRJWEG-LBPRGKRZSA-N -1 1 361.398 2.658 20 30 FFEDMM N#Cc1cccnc1N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000073070597 507890816 /nfs/dbraw/zinc/89/08/16/507890816.db2.gz HWDJHFLWWSIPHJ-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM C=CCN(Cc1ccccc1F)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104043252 508327035 /nfs/dbraw/zinc/32/70/35/508327035.db2.gz XEKTZQVCZXQZCB-UHFFFAOYSA-N -1 1 368.412 2.536 20 30 FFEDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000123728637 508730756 /nfs/dbraw/zinc/73/07/56/508730756.db2.gz OSFDKEGUOWLYFJ-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM CCCNc1ccc(C#N)cc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000119284268 508764297 /nfs/dbraw/zinc/76/42/97/508764297.db2.gz YPPDXNSNDXGQHJ-UHFFFAOYSA-N -1 1 350.382 2.620 20 30 FFEDMM C=CCCS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000120137661 508936043 /nfs/dbraw/zinc/93/60/43/508936043.db2.gz WDCAIROBRFJVPY-UHFFFAOYSA-N -1 1 366.464 2.805 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CC#N)cc2)cc1C ZINC000120863861 509078566 /nfs/dbraw/zinc/07/85/66/509078566.db2.gz SKXACXQLWMISSG-UHFFFAOYSA-N -1 1 357.435 2.700 20 30 FFEDMM CC#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000126650520 509108130 /nfs/dbraw/zinc/10/81/30/509108130.db2.gz RCAZBWYHCAYNSF-UHFFFAOYSA-N -1 1 364.373 2.519 20 30 FFEDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)n[nH]1 ZINC000182572555 509310652 /nfs/dbraw/zinc/31/06/52/509310652.db2.gz BYZCBLIDGRZOAL-UHFFFAOYSA-N -1 1 367.434 2.571 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)cc1[O-] ZINC000189085832 509404898 /nfs/dbraw/zinc/40/48/98/509404898.db2.gz ZYYCGBWULRYJSJ-UHFFFAOYSA-N -1 1 372.428 2.902 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000171004154 509885577 /nfs/dbraw/zinc/88/55/77/509885577.db2.gz UIKJKSYPXLDABK-AWEZNQCLSA-N -1 1 361.398 2.658 20 30 FFEDMM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190050079 509908890 /nfs/dbraw/zinc/90/88/90/509908890.db2.gz UEIYAOPNGDQYPA-UHFFFAOYSA-N -1 1 359.332 2.643 20 30 FFEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3occc3Br)n2)cc1 ZINC000177548327 510126909 /nfs/dbraw/zinc/12/69/09/510126909.db2.gz JSFYXNIBMPWLHO-UHFFFAOYSA-N -1 1 372.182 2.806 20 30 FFEDMM CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190519000 510180852 /nfs/dbraw/zinc/18/08/52/510180852.db2.gz RPQQCFQDBODQSQ-INIZCTEOSA-N -1 1 352.390 2.956 20 30 FFEDMM COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(SC)cc1OC ZINC000265885079 510282216 /nfs/dbraw/zinc/28/22/16/510282216.db2.gz WAPWJGYNONOJNV-RTRPANQVSA-N -1 1 362.403 2.654 20 30 FFEDMM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000187770869 510427713 /nfs/dbraw/zinc/42/77/13/510427713.db2.gz OEYKDRRARFCACD-UHFFFAOYSA-N -1 1 356.353 2.608 20 30 FFEDMM N#CCCCCS(=O)(=O)c1n[n-]c(-c2ccccc2Br)n1 ZINC000195110566 510673846 /nfs/dbraw/zinc/67/38/46/510673846.db2.gz QLSVVYRUFKQIRP-UHFFFAOYSA-N -1 1 369.244 2.702 20 30 FFEDMM N#CCCCCS(=O)(=O)c1nnc(-c2ccccc2Br)[n-]1 ZINC000195110566 510673840 /nfs/dbraw/zinc/67/38/40/510673840.db2.gz QLSVVYRUFKQIRP-UHFFFAOYSA-N -1 1 369.244 2.702 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000360551380 510920070 /nfs/dbraw/zinc/92/00/70/510920070.db2.gz BBVJDAINGZDTJD-UHFFFAOYSA-N -1 1 373.416 2.625 20 30 FFEDMM CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1csc(=NC3CC3)[nH]1)C2 ZINC000330206488 510937909 /nfs/dbraw/zinc/93/79/09/510937909.db2.gz DHNCNBPNMVKMOY-GFCCVEGCSA-N -1 1 359.499 2.953 20 30 FFEDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000289529147 511103375 /nfs/dbraw/zinc/10/33/75/511103375.db2.gz NDDBHUJQDARSLK-VIFPVBQESA-N -1 1 356.398 2.943 20 30 FFEDMM CCCN(CC#N)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271229551 511130544 /nfs/dbraw/zinc/13/05/44/511130544.db2.gz IKYGLIFTBZRFFL-UHFFFAOYSA-N -1 1 359.304 2.879 20 30 FFEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc3[nH]cnc32)C1=O ZINC000280669774 511558204 /nfs/dbraw/zinc/55/82/04/511558204.db2.gz CPUALRXKXYAPGK-LJQANCHMSA-N -1 1 371.441 2.879 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1 ZINC000314476262 511794695 /nfs/dbraw/zinc/79/46/95/511794695.db2.gz FQQOKGUHBZJFKG-UHFFFAOYSA-N -1 1 362.208 2.993 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000324944065 511842803 /nfs/dbraw/zinc/84/28/03/511842803.db2.gz ROLOVCGLWDQNJE-UHFFFAOYSA-N -1 1 352.318 2.989 20 30 FFEDMM COC(=O)c1cnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)[n-]1 ZINC000274910114 511984548 /nfs/dbraw/zinc/98/45/48/511984548.db2.gz KMRJJRXUGDUZFE-LBPRGKRZSA-N -1 1 358.423 2.624 20 30 FFEDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000274910114 511984552 /nfs/dbraw/zinc/98/45/52/511984552.db2.gz KMRJJRXUGDUZFE-LBPRGKRZSA-N -1 1 358.423 2.624 20 30 FFEDMM N#Cc1ccc(OC2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)nc1 ZINC000297077973 512010497 /nfs/dbraw/zinc/01/04/97/512010497.db2.gz JSJRKHAMWXCWMR-UHFFFAOYSA-N -1 1 371.368 2.624 20 30 FFEDMM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000372157723 512738748 /nfs/dbraw/zinc/73/87/48/512738748.db2.gz UQMMETKTZMNKHJ-OAHLLOKOSA-N -1 1 358.405 2.758 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000386991330 512891040 /nfs/dbraw/zinc/89/10/40/512891040.db2.gz VCKDSHXTVNXHNL-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM N#CC[C@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000397623292 512948156 /nfs/dbraw/zinc/94/81/56/512948156.db2.gz SJNYCFMZQPGZDU-SNVBAGLBSA-N -1 1 370.190 2.763 20 30 FFEDMM C=C[C@H](CCC(=O)[O-])NCc1cc(OC)c(OC)cc1Br ZINC000417634531 513126718 /nfs/dbraw/zinc/12/67/18/513126718.db2.gz ZBZBBDJFYGCIRF-LLVKDONJSA-N -1 1 358.232 2.975 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1C(N)=O ZINC000435137329 513521308 /nfs/dbraw/zinc/52/13/08/513521308.db2.gz CRYHVGWZOXWBQT-UHFFFAOYSA-N -1 1 373.434 2.554 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(CC#N)c3)cc2C[C@H]1C ZINC000451107070 513527162 /nfs/dbraw/zinc/52/71/62/513527162.db2.gz HCBZWZRFLKTUDP-CYBMUJFWSA-N -1 1 369.446 2.851 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1[O-] ZINC000430463749 513659182 /nfs/dbraw/zinc/65/91/82/513659182.db2.gz BOINMOWLHNRCPS-PZJWPPBQSA-N -1 1 368.408 2.907 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)ccc1C#N ZINC000435736263 513672298 /nfs/dbraw/zinc/67/22/98/513672298.db2.gz VUPZNMRCUDEKQW-UHFFFAOYSA-N -1 1 360.435 2.817 20 30 FFEDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435748046 513675175 /nfs/dbraw/zinc/67/51/75/513675175.db2.gz MIRWWEGRBTXHKJ-UHFFFAOYSA-N -1 1 357.435 2.726 20 30 FFEDMM CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000443086496 513868716 /nfs/dbraw/zinc/86/87/16/513868716.db2.gz OJJNVWADUCLPRN-ZDUSSCGKSA-N -1 1 355.891 2.754 20 30 FFEDMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@H+]1CCCC[C@H]1C ZINC000443101381 513872515 /nfs/dbraw/zinc/87/25/15/513872515.db2.gz CORKOZCRLGBSEB-OLZOCXBDSA-N -1 1 355.891 2.753 20 30 FFEDMM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)c1C#N ZINC000444062644 514111370 /nfs/dbraw/zinc/11/13/70/514111370.db2.gz BDCJNZPELNKBHC-UHFFFAOYSA-N -1 1 365.434 2.517 20 30 FFEDMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000427110311 514120209 /nfs/dbraw/zinc/12/02/09/514120209.db2.gz YFIUDBFVRGOJDP-UHFFFAOYSA-N -1 1 374.418 2.682 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc(OC)c1OC ZINC000427134263 514127161 /nfs/dbraw/zinc/12/71/61/514127161.db2.gz XOFAHMXMOKDAFV-UHFFFAOYSA-N -1 1 366.370 2.524 20 30 FFEDMM C=CCC1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CCCC1 ZINC000449921677 514425153 /nfs/dbraw/zinc/42/51/53/514425153.db2.gz JGRCLLSGSKZLBS-UHFFFAOYSA-N -1 1 364.467 2.908 20 30 FFEDMM C=CCC[C@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1ccccc1 ZINC000461457594 514624042 /nfs/dbraw/zinc/62/40/42/514624042.db2.gz RRKPCHXRPYEUIT-INIZCTEOSA-N -1 1 374.462 2.989 20 30 FFEDMM Cc1oc2ccccc2c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000466590358 514702487 /nfs/dbraw/zinc/70/24/87/514702487.db2.gz NUEWSDKMEOVYQK-UHFFFAOYSA-N -1 1 371.374 3.000 20 30 FFEDMM CN1Cc2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc2NC1=O ZINC000475812815 514820459 /nfs/dbraw/zinc/82/04/59/514820459.db2.gz NPKVHULGLBWCNB-UHFFFAOYSA-N -1 1 356.407 2.531 20 30 FFEDMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475816248 514822292 /nfs/dbraw/zinc/82/22/92/514822292.db2.gz GJDZEZLVNFULLM-UHFFFAOYSA-N -1 1 367.434 2.832 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc(-n2cccn2)c1 ZINC000475839098 514832933 /nfs/dbraw/zinc/83/29/33/514832933.db2.gz RSDYKLRWDISIAD-UHFFFAOYSA-N -1 1 368.418 2.862 20 30 FFEDMM N#C[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000509093713 515020084 /nfs/dbraw/zinc/02/00/84/515020084.db2.gz JGAWXXPVVBCPDY-ORAYPTAESA-N -1 1 353.809 2.891 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccncc2OCC(F)(F)F)cc1[O-] ZINC000467766830 515108634 /nfs/dbraw/zinc/10/86/34/515108634.db2.gz DUMDNAGXQVDACC-UHFFFAOYSA-N -1 1 351.284 2.530 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1nc(C2CCCCC2)no1 ZINC000477580229 515513763 /nfs/dbraw/zinc/51/37/63/515513763.db2.gz CEXUAGYNAFZHCO-LBPRGKRZSA-N -1 1 352.460 2.792 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000478801439 515967564 /nfs/dbraw/zinc/96/75/64/515967564.db2.gz ZVMRPAIZMQVFSX-HNNXBMFYSA-N -1 1 357.435 2.828 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000511734359 516016594 /nfs/dbraw/zinc/01/65/94/516016594.db2.gz MCIQLIWVZFBDSL-UHFFFAOYSA-N -1 1 372.446 2.944 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000518175910 516566942 /nfs/dbraw/zinc/56/69/42/516566942.db2.gz KXOCWJSPJFDIHB-ZDUSSCGKSA-N -1 1 373.416 2.844 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2 ZINC000513363989 516588789 /nfs/dbraw/zinc/58/87/89/516588789.db2.gz LSUSOZMZJDQESC-UHFFFAOYSA-N -1 1 359.432 2.712 20 30 FFEDMM Cc1cccc2nc(C(C#N)=C([O-])c3nn(C)c4ccccc4c3=O)[nH]c21 ZINC000524031517 516631297 /nfs/dbraw/zinc/63/12/97/516631297.db2.gz GHSTYHVPHVKWEY-CYBMUJFWSA-N -1 1 357.373 2.608 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)cc1Cl ZINC000544620926 516839464 /nfs/dbraw/zinc/83/94/64/516839464.db2.gz WVNOJQXEGMHIFC-UHFFFAOYSA-N -1 1 373.825 2.652 20 30 FFEDMM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cn1 ZINC000532320499 516908904 /nfs/dbraw/zinc/90/89/04/516908904.db2.gz VXDMHNOXIRRFDP-JTQLQIEISA-N -1 1 354.382 2.653 20 30 FFEDMM N#CC1(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000562437116 517109137 /nfs/dbraw/zinc/10/91/37/517109137.db2.gz UUHDFLMVVJJMET-UHFFFAOYSA-N -1 1 355.419 2.521 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](C)C#N)c2)cc1 ZINC000520311046 517341534 /nfs/dbraw/zinc/34/15/34/517341534.db2.gz ZWTCHCDDOJBZNJ-AWEZNQCLSA-N -1 1 357.435 2.685 20 30 FFEDMM Cc1nc(S(=O)(=O)[N-]Cc2nc(-c3cccc(C#N)c3)c[nH]2)sc1C ZINC000542747163 517713955 /nfs/dbraw/zinc/71/39/55/517713955.db2.gz WXTAYSHOXSWYAR-UHFFFAOYSA-N -1 1 373.463 2.500 20 30 FFEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000539549209 518095053 /nfs/dbraw/zinc/09/50/53/518095053.db2.gz ZARGTPKCIHXRJA-UHFFFAOYSA-N -1 1 374.393 2.703 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)o1 ZINC000575831868 518300972 /nfs/dbraw/zinc/30/09/72/518300972.db2.gz HSQPBAVRSVARGA-UHFFFAOYSA-N -1 1 356.285 2.847 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2Br)o1 ZINC000581565857 518348716 /nfs/dbraw/zinc/34/87/16/518348716.db2.gz KRYQXFISYQIYIT-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000564319315 518397700 /nfs/dbraw/zinc/39/77/00/518397700.db2.gz HTFOVZXAYXINPD-UHFFFAOYSA-N -1 1 358.279 2.541 20 30 FFEDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cncc(C#N)c3)[nH]n2)c1 ZINC000570284044 518532464 /nfs/dbraw/zinc/53/24/64/518532464.db2.gz LQYQVJABOAHLCS-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000576558371 518650461 /nfs/dbraw/zinc/65/04/61/518650461.db2.gz GBRQPFXZVWAVTL-UHFFFAOYSA-N -1 1 364.810 2.728 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1 ZINC000589172074 518940267 /nfs/dbraw/zinc/94/02/67/518940267.db2.gz VMIVWJONZAJQMG-LBPRGKRZSA-N -1 1 357.360 2.798 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000589183737 518943689 /nfs/dbraw/zinc/94/36/89/518943689.db2.gz LSNYEMHWNZZPQG-UHFFFAOYSA-N -1 1 363.417 2.546 20 30 FFEDMM COCc1nc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc2o1 ZINC000589585787 519034727 /nfs/dbraw/zinc/03/47/27/519034727.db2.gz UCLZAGGYZPOBGK-UHFFFAOYSA-N -1 1 357.391 2.841 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)c1C#N ZINC000594490391 520000430 /nfs/dbraw/zinc/00/04/30/520000430.db2.gz TZZFCLINIQIDIZ-RISCZKNCSA-N -1 1 362.373 2.645 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)c1C#N ZINC000594490389 520000826 /nfs/dbraw/zinc/00/08/26/520000826.db2.gz TZZFCLINIQIDIZ-BXUZGUMPSA-N -1 1 362.373 2.645 20 30 FFEDMM N#Cc1cc(Cl)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(Cl)c1 ZINC000597622242 520142344 /nfs/dbraw/zinc/14/23/44/520142344.db2.gz HKBOFPDWHFANKY-UHFFFAOYSA-N -1 1 367.192 2.973 20 30 FFEDMM N#CCCC[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594777346 520150260 /nfs/dbraw/zinc/15/02/60/520150260.db2.gz ZMYGGBMTQBMYIM-AWEZNQCLSA-N -1 1 360.395 2.703 20 30 FFEDMM CC(C)C[C@H](C#N)NC(=O)c1ccc(I)c([O-])c1 ZINC000612823548 520168727 /nfs/dbraw/zinc/16/87/27/520168727.db2.gz YKNYLXHEXNRVSD-SNVBAGLBSA-N -1 1 358.179 2.665 20 30 FFEDMM CCCc1c([N-]S(=O)(=O)C2(COC)CC2)cnn1-c1cccc(C#N)c1 ZINC000603419661 520256413 /nfs/dbraw/zinc/25/64/13/520256413.db2.gz PCESPEJBMDYQGO-UHFFFAOYSA-N -1 1 374.466 2.617 20 30 FFEDMM COCCOCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000609629701 520387563 /nfs/dbraw/zinc/38/75/63/520387563.db2.gz VXHXXUHUFIUUQL-UHFFFAOYSA-N -1 1 360.435 2.831 20 30 FFEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2)n1 ZINC000604571184 520608941 /nfs/dbraw/zinc/60/89/41/520608941.db2.gz ILDNIVAXWPXVGM-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)ccc1C#N ZINC000618086959 520874715 /nfs/dbraw/zinc/87/47/15/520874715.db2.gz RLWSEYLPGRUXET-UHFFFAOYSA-N -1 1 352.419 2.912 20 30 FFEDMM N#C[C@@]1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCc2ccccc2C1 ZINC000601963491 521044803 /nfs/dbraw/zinc/04/48/03/521044803.db2.gz UOJOCSMYCFVSFP-MRXNPFEDSA-N -1 1 352.362 2.947 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1[O-] ZINC000615469910 521415144 /nfs/dbraw/zinc/41/51/44/521415144.db2.gz DVJSSGLVULAWQR-UHFFFAOYSA-N -1 1 355.438 2.565 20 30 FFEDMM N#C[C@]1(F)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000615606553 521468994 /nfs/dbraw/zinc/46/89/94/521468994.db2.gz HMAKCKCLWWQQOR-GOSISDBHSA-N -1 1 373.409 2.565 20 30 FFEDMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461991 521581108 /nfs/dbraw/zinc/58/11/08/521581108.db2.gz ODNCVZBRJSZGTH-UHFFFAOYSA-N -1 1 357.435 2.692 20 30 FFEDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1nc(C2CC2)no1 ZINC000619481627 521591166 /nfs/dbraw/zinc/59/11/66/521591166.db2.gz PCTBVEZBQXNNFK-OAHLLOKOSA-N -1 1 360.439 2.689 20 30 FFEDMM C=CCc1cc(C(=O)Nc2nc(C(=O)OCC)c[n-]2)cc(OC)c1OC ZINC000619864931 521909671 /nfs/dbraw/zinc/90/96/71/521909671.db2.gz QGVNVIFFUTYQKN-UHFFFAOYSA-N -1 1 359.382 2.584 20 30 FFEDMM CC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCN(C(C)=O)C3)o1 ZINC000622981466 523592620 /nfs/dbraw/zinc/59/26/20/523592620.db2.gz YYUSZNDTQNJKGF-UHFFFAOYSA-N -1 1 357.391 2.572 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735974534 599004739 /nfs/dbraw/zinc/00/47/39/599004739.db2.gz LKIFVGMQGRXVNK-NSHDSACASA-N -1 1 365.422 2.908 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735974534 599004740 /nfs/dbraw/zinc/00/47/40/599004740.db2.gz LKIFVGMQGRXVNK-NSHDSACASA-N -1 1 365.422 2.908 20 30 FFEDMM C#CCN(CC)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735374333 598394962 /nfs/dbraw/zinc/39/49/62/598394962.db2.gz HZSVKZKCMBOBGZ-UHFFFAOYSA-N -1 1 365.368 2.893 20 30 FFEDMM C#CCN(CC)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735374333 598394963 /nfs/dbraw/zinc/39/49/63/598394963.db2.gz HZSVKZKCMBOBGZ-UHFFFAOYSA-N -1 1 365.368 2.893 20 30 FFEDMM C=CCOCC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000735437557 598816947 /nfs/dbraw/zinc/81/69/47/598816947.db2.gz MFYFKBKZVLCLAN-UHFFFAOYSA-N -1 1 366.381 2.504 20 30 FFEDMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(OCC#N)cc1 ZINC000736821193 599927586 /nfs/dbraw/zinc/92/75/86/599927586.db2.gz CGKMCJZAKGQJBN-INIZCTEOSA-N -1 1 365.433 2.998 20 30 FFEDMM Cc1nn(CCC(=O)[O-])c(C)c1C=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000738923270 600006426 /nfs/dbraw/zinc/00/64/26/600006426.db2.gz SJXYVHBIMGZCIA-UHFFFAOYSA-N -1 1 362.340 2.575 20 30 FFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000736075776 600899440 /nfs/dbraw/zinc/89/94/40/600899440.db2.gz HIXFMVPICCOMNV-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CCC(=O)[O-])CC1 ZINC000825978160 601844243 /nfs/dbraw/zinc/84/42/43/601844243.db2.gz YXORNJNWWSYTHO-MRXNPFEDSA-N -1 1 357.454 2.899 20 30 FFEDMM C#CCOc1ccccc1CN[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000825632215 602172330 /nfs/dbraw/zinc/17/23/30/602172330.db2.gz VJDCDNWMLBCTEF-IBGZPJMESA-N -1 1 355.390 2.631 20 30 FFEDMM C=CCOc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000823932419 607653693 /nfs/dbraw/zinc/65/36/93/607653693.db2.gz XPBIMNMGXUOZRP-UHFFFAOYSA-N -1 1 372.406 2.508 20 30 FFEDMM N#CC(C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])c1ccc2ccccc2n1 ZINC000831065232 604215246 /nfs/dbraw/zinc/21/52/46/604215246.db2.gz PTJXVIXXNJGHPM-GJZGRUSLSA-N -1 1 353.378 2.570 20 30 FFEDMM COc1cc2c(cc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1)O[C@@H](C)C2 ZINC000832102790 604778091 /nfs/dbraw/zinc/77/80/91/604778091.db2.gz IKBJXTDOKHXSOY-HXPMCKFVSA-N -1 1 352.390 2.806 20 30 FFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H]3CSCCN3C(=O)[O-])[nH]c21 ZINC000830533723 605421158 /nfs/dbraw/zinc/42/11/58/605421158.db2.gz YQRCKSAUFHPMLT-RYUDHWBXSA-N -1 1 358.423 2.533 20 30 FFEDMM N#Cc1ccc2ncc(CN3CCCC[C@H]3[C@H]3CCCN3C(=O)[O-])n2c1 ZINC000833977052 605558822 /nfs/dbraw/zinc/55/88/22/605558822.db2.gz NJNCTXZHROWTNY-DLBZAZTESA-N -1 1 353.426 2.703 20 30 FFEDMM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363698 606501175 /nfs/dbraw/zinc/50/11/75/606501175.db2.gz MJGQXTOESPLDBP-UHFFFAOYSA-N -1 1 372.413 2.975 20 30 FFEDMM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363698 606501176 /nfs/dbraw/zinc/50/11/76/606501176.db2.gz MJGQXTOESPLDBP-UHFFFAOYSA-N -1 1 372.413 2.975 20 30 FFEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820842260 606562878 /nfs/dbraw/zinc/56/28/78/606562878.db2.gz LBNFSDNAXMTCMI-GFCCVEGCSA-N -1 1 368.422 2.539 20 30 FFEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820842260 606562880 /nfs/dbraw/zinc/56/28/80/606562880.db2.gz LBNFSDNAXMTCMI-GFCCVEGCSA-N -1 1 368.422 2.539 20 30 FFEDMM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cnc1Cl ZINC000822198900 607148895 /nfs/dbraw/zinc/14/88/95/607148895.db2.gz NLXZZQOGFXFLMU-UHFFFAOYSA-N -1 1 360.809 2.955 20 30 FFEDMM O=C(C=Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401174 608092809 /nfs/dbraw/zinc/09/28/09/608092809.db2.gz RNGSETGDSWMYCL-UTCJRWHESA-N -1 1 367.434 2.661 20 30 FFEDMM O=C(C=Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401174 608092810 /nfs/dbraw/zinc/09/28/10/608092810.db2.gz RNGSETGDSWMYCL-UTCJRWHESA-N -1 1 367.434 2.661 20 30 FFEDMM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826355796 608092859 /nfs/dbraw/zinc/09/28/59/608092859.db2.gz NKEYFSXCHPXWJG-IHWYPQMZSA-N -1 1 355.210 2.865 20 30 FFEDMM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826355796 608092860 /nfs/dbraw/zinc/09/28/60/608092860.db2.gz NKEYFSXCHPXWJG-IHWYPQMZSA-N -1 1 355.210 2.865 20 30 FFEDMM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccccn1 ZINC000157495385 728873101 /nfs/dbraw/zinc/87/31/01/728873101.db2.gz GLXIRDPHVDEAQM-UHFFFAOYSA-N -1 1 371.388 2.687 20 30 FFEDMM COc1ccc(C(=O)[N-]C(=O)CSc2nc(C)cc(C)c2C#N)cc1 ZINC000010267035 727805118 /nfs/dbraw/zinc/80/51/18/727805118.db2.gz FIPWLIMVBXFTPD-UHFFFAOYSA-N -1 1 355.419 2.627 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000746491926 735487597 /nfs/dbraw/zinc/48/75/97/735487597.db2.gz PJMDLFZADSCYJZ-UHFFFAOYSA-N -1 1 351.359 2.578 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c(Br)c1 ZINC000901774406 735837137 /nfs/dbraw/zinc/83/71/37/735837137.db2.gz RFIKLEHHQWSIHO-SNVBAGLBSA-N -1 1 371.178 2.880 20 30 FFEDMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000172504490 729026917 /nfs/dbraw/zinc/02/69/17/729026917.db2.gz FQEKCACWBGFFDJ-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM N#C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000176071451 729108358 /nfs/dbraw/zinc/10/83/58/729108358.db2.gz BSPUQMCNOQCTJZ-KRWDZBQOSA-N -1 1 356.403 2.946 20 30 FFEDMM CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc21 ZINC000178198616 729156781 /nfs/dbraw/zinc/15/67/81/729156781.db2.gz FXHGILXJBQGFPA-UHFFFAOYSA-N -1 1 363.826 2.841 20 30 FFEDMM C#CCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000179332400 729183805 /nfs/dbraw/zinc/18/38/05/729183805.db2.gz XHPKCGFDDCVOBD-UHFFFAOYSA-N -1 1 354.628 2.933 20 30 FFEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cn(C2CC2)nn1 ZINC000860473661 730515661 /nfs/dbraw/zinc/51/56/61/730515661.db2.gz PGTKZOJHHDJRTI-LBPRGKRZSA-N -1 1 364.192 2.881 20 30 FFEDMM C[C@H](OC(=O)Cc1ccc([O-])c(Cl)c1)C(=O)NC1(C#N)CCCCC1 ZINC000869736526 731434179 /nfs/dbraw/zinc/43/41/79/731434179.db2.gz JNHMYILMAYJFCN-LBPRGKRZSA-N -1 1 364.829 2.862 20 30 FFEDMM CN(C(=O)c1ccc(I)cc1[O-])[C@@H]1CCC[C@H]1C#N ZINC000870675684 731543408 /nfs/dbraw/zinc/54/34/08/731543408.db2.gz HPWBKBMTGDPKIH-JOYOIKCWSA-N -1 1 370.190 2.761 20 30 FFEDMM C=CCCC(C)(C)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000666201155 732817734 /nfs/dbraw/zinc/81/77/34/732817734.db2.gz OYKCWUSQLKQFHA-UHFFFAOYSA-N -1 1 355.460 2.933 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@@H](C(F)(F)F)C1 ZINC000783520991 738811361 /nfs/dbraw/zinc/81/13/61/738811361.db2.gz LUMXAMDWLZUCBO-SECBINFHSA-N -1 1 365.333 2.982 20 30 FFEDMM Cn1nc2c(c1C([O-])=C(C#N)c1nc3ccccc3n1C)CSCC2 ZINC000892420208 734556967 /nfs/dbraw/zinc/55/69/67/734556967.db2.gz PDVDVEYQUPGBCV-NSHDSACASA-N -1 1 351.435 2.586 20 30 FFEDMM CCS(=O)(=O)Nc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000729631363 734587610 /nfs/dbraw/zinc/58/76/10/734587610.db2.gz HUYZTQSWYFAAMF-UHFFFAOYSA-N -1 1 361.423 2.983 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCC)c2)c1 ZINC000730996443 734661458 /nfs/dbraw/zinc/66/14/58/734661458.db2.gz QGBMGCJZARKKAR-UHFFFAOYSA-N -1 1 359.403 2.676 20 30 FFEDMM C#CCOc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)c1 ZINC000731011520 734662463 /nfs/dbraw/zinc/66/24/63/734662463.db2.gz SHYVBDLVRCNARP-UHFFFAOYSA-N -1 1 358.419 2.713 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(-c2ccccc2)s1 ZINC000731157073 734668741 /nfs/dbraw/zinc/66/87/41/734668741.db2.gz FEMTZYFJDVMQAT-UHFFFAOYSA-N -1 1 350.407 2.997 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)c1 ZINC000731177508 734669445 /nfs/dbraw/zinc/66/94/45/734669445.db2.gz FWROOWIQYOCUAW-UHFFFAOYSA-N -1 1 359.403 2.594 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@]2(C#N)CCSC2)c([O-])c1 ZINC000740923862 735099089 /nfs/dbraw/zinc/09/90/89/735099089.db2.gz LZFPIEKJOSLFPL-KRWDZBQOSA-N -1 1 363.439 2.868 20 30 FFEDMM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc(C#N)cc2C2CC2)CCOC1 ZINC000901965929 735881402 /nfs/dbraw/zinc/88/14/02/735881402.db2.gz JWQPRFKVKNZNGR-SFHVURJKSA-N -1 1 364.467 2.761 20 30 FFEDMM CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000905539949 736354282 /nfs/dbraw/zinc/35/42/82/736354282.db2.gz GBBBLWWMLARUFT-LLVKDONJSA-N -1 1 364.215 2.697 20 30 FFEDMM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000907946393 736693491 /nfs/dbraw/zinc/69/34/91/736693491.db2.gz OEUZKZALMVRPJB-UHFFFAOYSA-N -1 1 353.831 2.976 20 30 FFEDMM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000907946857 736693508 /nfs/dbraw/zinc/69/35/08/736693508.db2.gz ZWYAEWYJNOJIAY-UHFFFAOYSA-N -1 1 353.831 2.976 20 30 FFEDMM C=C(Cl)C[C@@H](NC(=O)NC[C@@H](c1ccco1)N(CC)CC)C(=O)[O-] ZINC000908876699 736850545 /nfs/dbraw/zinc/85/05/45/736850545.db2.gz ZRVKFIZXBJYOKY-OLZOCXBDSA-N -1 1 357.838 2.558 20 30 FFEDMM N#CCCn1ccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765296723 737105971 /nfs/dbraw/zinc/10/59/71/737105971.db2.gz WIHOPYQANMMWJT-UHFFFAOYSA-N -1 1 364.203 2.587 20 30 FFEDMM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000766623919 737247137 /nfs/dbraw/zinc/24/71/37/737247137.db2.gz VUUBJJLTAZBSIH-JTQLQIEISA-N -1 1 366.208 2.956 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CC[C@@H]2c2ccccc2)cc1 ZINC000769780500 737565442 /nfs/dbraw/zinc/56/54/42/737565442.db2.gz QSIXBXWBSDVUJW-MRXNPFEDSA-N -1 1 359.407 2.948 20 30 FFEDMM C[C@H](C#N)OC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000916075473 737676382 /nfs/dbraw/zinc/67/63/82/737676382.db2.gz XXKYOMBXHMLISR-GFCCVEGCSA-N -1 1 362.382 2.624 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000775298463 738081874 /nfs/dbraw/zinc/08/18/74/738081874.db2.gz SVEVVHNZPKLYIX-UHFFFAOYSA-N -1 1 359.403 2.814 20 30 FFEDMM C#CCN(CC#C)Cc1cc(Br)cc(Br)c1[O-] ZINC000775703525 738114791 /nfs/dbraw/zinc/11/47/91/738114791.db2.gz RSJQJTUSLBBJTE-UHFFFAOYSA-N -1 1 357.045 2.986 20 30 FFEDMM Cc1c(Br)c(C)n(N=Cc2ccc([O-])c(F)c2)c(=O)c1C#N ZINC000788462405 739247016 /nfs/dbraw/zinc/24/70/16/739247016.db2.gz XCVSVCJCLAZLAN-UHFFFAOYSA-N -1 1 364.174 2.826 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(C)C ZINC000795974235 740086621 /nfs/dbraw/zinc/08/66/21/740086621.db2.gz CQUFGXYAKULSNR-GFCCVEGCSA-N -1 1 364.250 2.716 20 30 FFEDMM C#C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1F ZINC000796602039 740160238 /nfs/dbraw/zinc/16/02/38/740160238.db2.gz XAHMFYNGJMCHGG-CQSZACIVSA-N -1 1 355.756 2.820 20 30 FFEDMM C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)C ZINC000799042503 740383350 /nfs/dbraw/zinc/38/33/50/740383350.db2.gz FALAIWHOAIAVTQ-GOSISDBHSA-N -1 1 356.447 2.875 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCC[C@@H]2CCCF)cc1 ZINC000800811522 740550371 /nfs/dbraw/zinc/55/03/71/740550371.db2.gz XYGYPGFOVHOIEE-CYBMUJFWSA-N -1 1 357.407 2.920 20 30 FFEDMM C=C(C)[C@@H](CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)OCC ZINC000807708274 741149969 /nfs/dbraw/zinc/14/99/69/741149969.db2.gz PHDXEPUSNCNZGX-XPCVCDNBSA-N -1 1 364.408 2.662 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c1 ZINC000809630380 741324172 /nfs/dbraw/zinc/32/41/72/741324172.db2.gz UXRYRVLDKBNVJM-HNNXBMFYSA-N -1 1 350.296 2.746 20 30 FFEDMM O=C([N-][C@@H]1CCCN(O)C1=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000848130334 748850315 /nfs/dbraw/zinc/85/03/15/748850315.db2.gz JLBHDKMXQLYFTO-SECBINFHSA-N -1 1 353.152 2.582 20 30 FFEDMM CCCCCCCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852735504 749939026 /nfs/dbraw/zinc/93/90/26/749939026.db2.gz ILOANMIPZCJQDZ-STQMWFEESA-N -1 1 352.397 2.943 20 30 FFEDMM N#C[C@@H](C(=O)C[C@H]1CCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817750 845178660 /nfs/dbraw/zinc/17/86/60/845178660.db2.gz ZDWWKLNZEJCAPS-PWSUYJOCSA-N -1 1 357.435 2.609 20 30 FFEDMM C#CCN(CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CC(=O)[O-] ZINC001602700810 971321422 /nfs/dbraw/zinc/32/14/22/971321422.db2.gz KCXVASZCHGRXDC-MQVJKMGUSA-N -1 1 350.459 2.574 20 30 FFEDMM C=C[C@](C)(CC)C(=O)NC[C@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573306825 947175836 /nfs/dbraw/zinc/17/58/36/947175836.db2.gz NJSPKAOEOYOTDQ-MEDUHNTESA-N -1 1 363.491 2.541 20 30 FFEDMM C[C@H](O[N-]C(=O)CCCc1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000160777161 963495319 /nfs/dbraw/zinc/49/53/19/963495319.db2.gz NLQUCOHOZZHSNT-HNNXBMFYSA-N -1 1 351.406 2.956 20 30 FFEDMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1cc(F)ccc1C#N ZINC001087552307 968084464 /nfs/dbraw/zinc/08/44/64/968084464.db2.gz XVFJKZJMZOCZQE-DLBZAZTESA-N -1 1 368.412 2.581 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001211683469 975159450 /nfs/dbraw/zinc/15/94/50/975159450.db2.gz FXMLRBCQEWJCQW-SKDRFNHKSA-N -1 1 351.255 2.648 20 30 FFEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000899267313 977063434 /nfs/dbraw/zinc/06/34/34/977063434.db2.gz KDKPJMJURWFIBJ-OAHLLOKOSA-N -1 1 359.426 2.735 20 30 FFEDMM N#Cc1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001167937000 978209648 /nfs/dbraw/zinc/20/96/48/978209648.db2.gz OWWKHEUCSZZONZ-UHFFFAOYSA-N -1 1 359.278 2.551 20 30 FFEDMM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1c([O-])ccc2ccccc21 ZINC001271876476 979202938 /nfs/dbraw/zinc/20/29/38/979202938.db2.gz LMDNWXBXCDMEDP-IAGOWNOFSA-N -1 1 350.418 2.937 20 30 FFEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)oc1C ZINC000128806591 979943433 /nfs/dbraw/zinc/94/34/33/979943433.db2.gz DAEYKWRYOAFANC-OAHLLOKOSA-N -1 1 353.378 2.559 20 30 FFEDMM COc1ccc(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1C#N ZINC000904225602 980218008 /nfs/dbraw/zinc/21/80/08/980218008.db2.gz GPKKBKHJIYMICE-UHFFFAOYSA-N -1 1 369.421 2.751 20 30 FFEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000073030511 983992936 /nfs/dbraw/zinc/99/29/36/983992936.db2.gz PRUHMRKWSMUIOX-AWEZNQCLSA-N -1 1 362.389 2.534 20 30 FFEDMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000764446112 984498860 /nfs/dbraw/zinc/49/88/60/984498860.db2.gz GTEWKAKCRRPMNP-UHFFFAOYSA-N -1 1 372.421 2.864 20 30 FFEDMM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1scnc1C1CC1 ZINC000760968010 984602923 /nfs/dbraw/zinc/60/29/23/984602923.db2.gz GXTWHZKGNBIQLP-GFCCVEGCSA-N -1 1 369.402 2.753 20 30 FFEDMM Cn1ncc2c1nc(N=NC1C[N@@H+](Cc3ccccc3)C(C)(C)C1)[n-]c2=O ZINC000761266649 985028201 /nfs/dbraw/zinc/02/82/01/985028201.db2.gz JRSQRORXFSMSFD-UHFFFAOYSA-N -1 1 365.441 2.521 20 30 FFEDMM Cn1ncc2c1[n-]c(NN=C1CN(Cc3ccccc3)C(C)(C)C1)nc2=O ZINC000761266649 985028233 /nfs/dbraw/zinc/02/82/33/985028233.db2.gz JRSQRORXFSMSFD-UHFFFAOYSA-N -1 1 365.441 2.521 20 30 FFEDMM N#C[C@@H](C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000172085947 985457366 /nfs/dbraw/zinc/45/73/66/985457366.db2.gz VJDVZQYDXHRMPG-XEZLXBQYSA-N -1 1 369.446 2.607 20 30 FFEDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000762564171 988469218 /nfs/dbraw/zinc/46/92/18/988469218.db2.gz HJTNBEHVHPWTHF-DOMZBBRYSA-N -1 1 359.426 2.639 20 30 FFEDMM CCc1oc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1C(=O)[O-] ZINC001597799299 989380790 /nfs/dbraw/zinc/38/07/90/989380790.db2.gz PSWSULKHLWTJJU-AWEZNQCLSA-N -1 1 354.410 2.883 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000809641906 994563967 /nfs/dbraw/zinc/56/39/67/994563967.db2.gz WYKKOFUBLSLGMY-OAHLLOKOSA-N -1 1 366.295 2.626 20 30 FFEDMM C=CCOc1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810905368 994973848 /nfs/dbraw/zinc/97/38/48/994973848.db2.gz QXIBUPMTSCOWEC-ZDUSSCGKSA-N -1 1 370.371 2.782 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000768309563 1000204559 /nfs/dbraw/zinc/20/45/59/1000204559.db2.gz SEXALUNVOORNHG-FQEVSTJZSA-N -1 1 371.437 2.879 20 30 FFEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1[C@H]3CCCO[C@H]3C1(C)C)nc2=O ZINC000769811741 1000610260 /nfs/dbraw/zinc/61/02/60/1000610260.db2.gz DBIUHCDAAPBBKE-ZWNOBZJWSA-N -1 1 358.446 2.890 20 30 FFEDMM Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)N([O-])C(=O)c1ccco1 ZINC001147082444 1000824824 /nfs/dbraw/zinc/82/48/24/1000824824.db2.gz ASZHMAKJJJGQRH-UHFFFAOYSA-N -1 1 365.708 2.647 20 30 FFEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000785589828 1001455037 /nfs/dbraw/zinc/45/50/37/1001455037.db2.gz GXCQJDVWSDEJNR-STQMWFEESA-N -1 1 359.426 2.734 20 30 FFEDMM Cc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c2ccccn12 ZINC000786559603 1001606478 /nfs/dbraw/zinc/60/64/78/1001606478.db2.gz IMJDUTXIBUUXCH-ZDUSSCGKSA-N -1 1 368.343 2.560 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000788288952 1001787253 /nfs/dbraw/zinc/78/72/53/1001787253.db2.gz ROGOQIJJDJLVCJ-ZDUSSCGKSA-N -1 1 359.426 2.641 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2oc(CC3CC3)nc2C)cc1 ZINC000789344268 1002051241 /nfs/dbraw/zinc/05/12/41/1002051241.db2.gz PGADAYOYDBBGMM-OAHLLOKOSA-N -1 1 353.378 2.905 20 30 FFEDMM NC(=O)c1ccc(OCC(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC001184340507 1002575830 /nfs/dbraw/zinc/57/58/30/1002575830.db2.gz OVLZGJYMPNUKDL-UHFFFAOYSA-N -1 1 350.374 2.736 20 30 FFEDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001185876622 1003113257 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O=C(/C=C/c1ccc(O)c(O)c1)c1ccc([O-])cc1OC[C@H]1C[C@@H](O)C1 ZINC001218433583 1033153307 /nfs/dbraw/zinc/15/33/07/1033153307.db2.gz GMGDTQPBGGZCTJ-SAHZMMOPSA-N -1 1 356.374 2.849 20 30 FFEDMM COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(OC)c2)c(O)c1 ZINC000757471643 1023823736 /nfs/dbraw/zinc/82/37/36/1023823736.db2.gz IENANWDEZRWXHJ-CLTKARDFSA-N -1 1 358.346 2.769 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)ccc1C ZINC000795301695 1025473535 /nfs/dbraw/zinc/47/35/35/1025473535.db2.gz AMZVNRHOEQWKLI-UHFFFAOYSA-N -1 1 374.418 2.875 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)OCC)c2)c1 ZINC000795318924 1025502026 /nfs/dbraw/zinc/50/20/26/1025502026.db2.gz OTRCXRKNRJVVCU-UHFFFAOYSA-N -1 1 373.430 2.605 20 30 FFEDMM C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000837233872 1025670142 /nfs/dbraw/zinc/67/01/42/1025670142.db2.gz ASGAWQAFCAFMOZ-BBRMVZONSA-N -1 1 373.453 2.887 20 30 FFEDMM N#Cc1cnc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c(Br)c1 ZINC001154204673 1028185733 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1046364572 /nfs/dbraw/zinc/36/45/72/1046364572.db2.gz RPFMICKEYGTQCC-ZANVPECISA-N -1 1 351.255 2.648 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1Cl ZINC001327130220 1047201157 /nfs/dbraw/zinc/20/11/57/1047201157.db2.gz GCRTWABOXRGEST-UHFFFAOYSA-N -1 1 364.810 2.993 20 30 FFEDMM C=C(Cl)C[C@H](N)C(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001331692268 1048063883 /nfs/dbraw/zinc/06/38/83/1048063883.db2.gz LYZCGTYGSBSQAK-JTQLQIEISA-N -1 1 354.863 2.605 20 30 FFEDMM C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001290414184 1048099862 /nfs/dbraw/zinc/09/98/62/1048099862.db2.gz UBCYWNBZRIOQGH-JKSUJKDBSA-N -1 1 357.454 2.665 20 30 FFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1[nH]c2ccccc2c1C#N ZINC001295600438 1049957829 /nfs/dbraw/zinc/95/78/29/1049957829.db2.gz DRHVLLDFFNCEON-UHFFFAOYSA-N -1 1 372.381 2.802 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001342020040 1050617966 /nfs/dbraw/zinc/61/79/66/1050617966.db2.gz HGKXICDANVQLLL-KSSFIOAISA-N -1 1 364.457 2.546 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001342020040 1050617975 /nfs/dbraw/zinc/61/79/75/1050617975.db2.gz HGKXICDANVQLLL-KSSFIOAISA-N -1 1 364.457 2.546 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(C)CCCC ZINC001340330627 1050728452 /nfs/dbraw/zinc/72/84/52/1050728452.db2.gz TXNOHDAPCXTSRL-UHFFFAOYSA-N -1 1 365.441 2.925 20 30 FFEDMM CCn1c(CCCC#N)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001341055898 1051395587 /nfs/dbraw/zinc/39/55/87/1051395587.db2.gz GRYQQUZEKARRTH-UHFFFAOYSA-N -1 1 367.453 2.949 20 30 FFEDMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001306895027 1052215518 /nfs/dbraw/zinc/21/55/18/1052215518.db2.gz UVICAZBUMHMAKI-CQSZACIVSA-N -1 1 370.833 2.694 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001343415189 1052216769 /nfs/dbraw/zinc/21/67/69/1052216769.db2.gz ALCQAWGFVVZQJG-HNNXBMFYSA-N -1 1 350.430 2.684 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001343415189 1052216777 /nfs/dbraw/zinc/21/67/77/1052216777.db2.gz ALCQAWGFVVZQJG-HNNXBMFYSA-N -1 1 350.430 2.684 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCCc2sccc2C1 ZINC001356152389 1055337547 /nfs/dbraw/zinc/33/75/47/1055337547.db2.gz CDPNUUIFVGBVTN-UHFFFAOYSA-N -1 1 361.862 2.917 20 30 FFEDMM C=C(C)Cn1c([C@@H]2C[C@H]2C)nnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001356328423 1055455009 /nfs/dbraw/zinc/45/50/09/1055455009.db2.gz GENCCZZVNCAEBU-HSMVNMDESA-N -1 1 371.407 2.625 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC001338870930 1055887786 /nfs/dbraw/zinc/88/77/86/1055887786.db2.gz LBENOJVJPGNECT-ZDUSSCGKSA-N -1 1 354.389 2.693 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001338907515 1055925521 /nfs/dbraw/zinc/92/55/21/1055925521.db2.gz YNURJTXVHQATSJ-CZUORRHYSA-N -1 1 366.425 2.526 20 30 FFEDMM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001300396357 1058168894 /nfs/dbraw/zinc/16/88/94/1058168894.db2.gz PFBJBIABHHRRSY-UHFFFAOYSA-N -1 1 355.390 2.668 20 30 FFEDMM C#C[C@@H]1CCCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2cccs2)C1 ZINC001518606073 1058437261 /nfs/dbraw/zinc/43/72/61/1058437261.db2.gz FYXIRFPRELSAKC-LLVKDONJSA-N -1 1 373.873 2.676 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001520398433 1059659054 /nfs/dbraw/zinc/65/90/54/1059659054.db2.gz YEELVTHSLGLMTE-INIZCTEOSA-N -1 1 366.425 2.528 20 30 FFEDMM C=CCn1c(N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)nnc1C(C)(C)C ZINC000848465876 1060076120 /nfs/dbraw/zinc/07/61/20/1060076120.db2.gz GGQBIJBLXGHXJJ-VXGBXAGGSA-N -1 1 373.423 2.797 20 30 FFEDMM C=CCCn1cc(COC(=O)c2nn(-c3cccc(C)c3C)cc2[O-])nn1 ZINC000848755635 1060609988 /nfs/dbraw/zinc/60/99/88/1060609988.db2.gz YTSBPJLICDQPRT-UHFFFAOYSA-N -1 1 367.409 2.719 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1Cc2ccc(O)cc2C1 ZINC001355975084 1060773514 /nfs/dbraw/zinc/77/35/14/1060773514.db2.gz DEUZEUWCVSERQH-UHFFFAOYSA-N -1 1 357.805 2.519 20 30 FFEDMM Cc1cc(C=O)c([O-])c(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC001466802109 1063562367 /nfs/dbraw/zinc/56/23/67/1063562367.db2.gz KZYZTQUUZVDFSM-UHFFFAOYSA-N -1 1 374.400 2.715 20 30 FFEDMM COc1cc(CNC(=O)c2c([O-])cnc3c(F)cccc32)ccc1C#N ZINC001467816196 1063859839 /nfs/dbraw/zinc/85/98/39/1063859839.db2.gz JIRDGOKVAPBOPF-UHFFFAOYSA-N -1 1 351.337 2.890 20 30 FFEDMM C#CC1(F)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1 ZINC001471607266 1064730588 /nfs/dbraw/zinc/73/05/88/1064730588.db2.gz SYZYDNNZLHLPFH-UHFFFAOYSA-N -1 1 372.421 2.593 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)C(C)C ZINC001561519497 1076387850 /nfs/dbraw/zinc/38/78/50/1076387850.db2.gz VYOWCSOMCKAZCT-CYBMUJFWSA-N -1 1 361.822 2.592 20 30 FFEDMM C#C[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC001588330139 1079987090 /nfs/dbraw/zinc/98/70/90/1079987090.db2.gz VSSCVSQRIWJLCU-CYBMUJFWSA-N -1 1 371.763 2.550 20 30 FFEDMM C#C[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC001588330139 1079987095 /nfs/dbraw/zinc/98/70/95/1079987095.db2.gz VSSCVSQRIWJLCU-CYBMUJFWSA-N -1 1 371.763 2.550 20 30 FFEDMM C=C[C@H](CC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588519269 1080071676 /nfs/dbraw/zinc/07/16/76/1080071676.db2.gz WPUCOSUPCDEVND-GFCCVEGCSA-N -1 1 350.382 2.569 20 30 FFEDMM C=C[C@H](CC)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001588525480 1080078047 /nfs/dbraw/zinc/07/80/47/1080078047.db2.gz HZQRHDBYARWVFX-LLVKDONJSA-N -1 1 355.377 2.732 20 30 FFEDMM C=CCCC(=O)N[C@H](C)C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588572001 1080104123 /nfs/dbraw/zinc/10/41/23/1080104123.db2.gz VPSHDCLWRZCPTK-RKDXNWHRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCCC(=O)N[C@H](C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588572001 1080104127 /nfs/dbraw/zinc/10/41/27/1080104127.db2.gz VPSHDCLWRZCPTK-RKDXNWHRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCn1cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2n1 ZINC001588716802 1080167085 /nfs/dbraw/zinc/16/70/85/1080167085.db2.gz MSSLDOYMQPXEFO-UHFFFAOYSA-N -1 1 351.395 2.716 20 30 FFEDMM C=CCn1cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2n1 ZINC001588716802 1080167089 /nfs/dbraw/zinc/16/70/89/1080167089.db2.gz MSSLDOYMQPXEFO-UHFFFAOYSA-N -1 1 351.395 2.716 20 30 FFEDMM C=CC[C@@H](SCCN1CCN(c2cccc(OC)c2)CC1)C(=O)[O-] ZINC001588758862 1080182897 /nfs/dbraw/zinc/18/28/97/1080182897.db2.gz KWKXUDYHZMLLCX-QGZVFWFLSA-N -1 1 350.484 2.580 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2nc3ccccc3n2C)o1 ZINC001588781262 1080193436 /nfs/dbraw/zinc/19/34/36/1080193436.db2.gz PXRVAJKHBKXRSP-UHFFFAOYSA-N -1 1 365.401 2.701 20 30 FFEDMM CC(=NOCc1ccc(-c2nnn[n-]2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC001588781639 1080193578 /nfs/dbraw/zinc/19/35/78/1080193578.db2.gz HQFAYNJZXCELTR-UHFFFAOYSA-N -1 1 366.381 2.749 20 30 FFEDMM CC(=NOCc1ccc(-c2nn[n-]n2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC001588781639 1080193583 /nfs/dbraw/zinc/19/35/83/1080193583.db2.gz HQFAYNJZXCELTR-UHFFFAOYSA-N -1 1 366.381 2.749 20 30 FFEDMM C=C(C)C[C@H](CO)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001588845127 1080215552 /nfs/dbraw/zinc/21/55/52/1080215552.db2.gz UTWOTPDTZCCAHC-CYBMUJFWSA-N -1 1 350.415 2.796 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3scnc32)o1 ZINC001589238053 1080440314 /nfs/dbraw/zinc/44/03/14/1080440314.db2.gz MMMLMWGMNLIXNA-UHFFFAOYSA-N -1 1 358.431 2.761 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2scnc2C2CC2)o1 ZINC001589238327 1080440682 /nfs/dbraw/zinc/44/06/82/1080440682.db2.gz SUGLKDMJUUAMGT-UHFFFAOYSA-N -1 1 358.431 2.932 20 30 FFEDMM CC(C)Oc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1C#N ZINC001589758181 1080713161 /nfs/dbraw/zinc/71/31/61/1080713161.db2.gz VCZXLBWDDUHCEH-UHFFFAOYSA-N -1 1 354.395 2.839 20 30 FFEDMM CC(C)Oc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1C#N ZINC001589758181 1080713166 /nfs/dbraw/zinc/71/31/66/1080713166.db2.gz VCZXLBWDDUHCEH-UHFFFAOYSA-N -1 1 354.395 2.839 20 30 FFEDMM C[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@@H](c2ccccc2)C1 ZINC001590209953 1081094774 /nfs/dbraw/zinc/09/47/74/1081094774.db2.gz QWAZSVJYZICBKP-QEJZJMRPSA-N -1 1 360.425 2.913 20 30 FFEDMM N#Cc1cc2c(nc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)CCCC2 ZINC000290685547 257352628 /nfs/dbraw/zinc/35/26/28/257352628.db2.gz LUIHSQMIYFKOKV-GFCCVEGCSA-N -1 1 366.387 2.727 20 30 FFEDMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000331371806 258183306 /nfs/dbraw/zinc/18/33/06/258183306.db2.gz GPRUEFBSQZZEGF-GASCZTMLSA-N -1 1 371.462 2.973 20 30 FFEDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccco1 ZINC000373037562 512143506 /nfs/dbraw/zinc/14/35/06/512143506.db2.gz QBNCSMVUOTVLLF-SFHVURJKSA-N -1 1 369.402 2.623 20 30 FFEDMM C=CCN(CC=C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000032144845 506233744 /nfs/dbraw/zinc/23/37/44/506233744.db2.gz ZOGCVMDUFPJOLJ-UHFFFAOYSA-N -1 1 357.435 2.697 20 30 FFEDMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055578830 506786605 /nfs/dbraw/zinc/78/66/05/506786605.db2.gz IAIZMECCVOIOSY-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000055633255 506806584 /nfs/dbraw/zinc/80/65/84/506806584.db2.gz UMAVFDLBPFJENB-UHFFFAOYSA-N -1 1 360.435 2.912 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2C[C@@H]1C ZINC000028678706 507736978 /nfs/dbraw/zinc/73/69/78/507736978.db2.gz XMLFTBVUQGNUKT-LBPRGKRZSA-N -1 1 355.419 2.657 20 30 FFEDMM CC(C)n1c([C@H]2CCCN(C(=O)c3cc(C#N)cn3C)C2)n[n-]c1=S ZINC000081756506 508208684 /nfs/dbraw/zinc/20/86/84/508208684.db2.gz YUUFJQNJYLHQDM-ZDUSSCGKSA-N -1 1 358.471 2.752 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000076937755 508264237 /nfs/dbraw/zinc/26/42/37/508264237.db2.gz BNVZEEVPKKUNDI-QHCPKHFHSA-N -1 1 362.476 2.854 20 30 FFEDMM CCn1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000114617442 508332028 /nfs/dbraw/zinc/33/20/28/508332028.db2.gz NWSYPXPJZXQCMZ-GFCCVEGCSA-N -1 1 367.434 2.570 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)ccc1Cl ZINC000077705082 508354809 /nfs/dbraw/zinc/35/48/09/508354809.db2.gz NOCGNXTYJJXNNC-UHFFFAOYSA-N -1 1 361.810 2.897 20 30 FFEDMM Cc1ocnc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000105754698 508384853 /nfs/dbraw/zinc/38/48/53/508384853.db2.gz TUJYVGDQJCOPNO-JTQLQIEISA-N -1 1 354.391 2.650 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c(F)c1 ZINC000158011289 508645308 /nfs/dbraw/zinc/64/53/08/508645308.db2.gz RCPZVLOCNDANSJ-UHFFFAOYSA-N -1 1 354.746 2.880 20 30 FFEDMM Cn1cccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123443170 508687311 /nfs/dbraw/zinc/68/73/11/508687311.db2.gz NEOWTDNISGPDNA-NSHDSACASA-N -1 1 352.419 2.692 20 30 FFEDMM CCc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n[nH]1 ZINC000123479181 508693714 /nfs/dbraw/zinc/69/37/14/508693714.db2.gz SBLYNVISHNEAJK-NSHDSACASA-N -1 1 367.434 2.639 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(-c2cccc(F)c2)no1 ZINC000123615203 508715166 /nfs/dbraw/zinc/71/51/66/508715166.db2.gz MVNDSBCFNBFUQH-LLVKDONJSA-N -1 1 372.381 2.787 20 30 FFEDMM C=CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000154197289 508734853 /nfs/dbraw/zinc/73/48/53/508734853.db2.gz NYNPMBRHMJOCKV-UHFFFAOYSA-N -1 1 360.435 2.754 20 30 FFEDMM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000155582496 509031267 /nfs/dbraw/zinc/03/12/67/509031267.db2.gz IPFSIAKBJJPEIM-CQSZACIVSA-N -1 1 373.416 2.558 20 30 FFEDMM N#Cc1ccc(OCC[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000132883097 509087084 /nfs/dbraw/zinc/08/70/84/509087084.db2.gz CVYFDRBXWLWYQO-UHFFFAOYSA-N -1 1 354.790 2.708 20 30 FFEDMM C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000133048592 509108669 /nfs/dbraw/zinc/10/86/69/509108669.db2.gz MCRGHOSDWVMCMF-UHFFFAOYSA-N -1 1 370.215 2.598 20 30 FFEDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2[nH]1 ZINC000182497122 509271627 /nfs/dbraw/zinc/27/16/27/509271627.db2.gz VGJGXGRIQOXYRH-UHFFFAOYSA-N -1 1 353.403 2.763 20 30 FFEDMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000185657100 509290143 /nfs/dbraw/zinc/29/01/43/509290143.db2.gz FILHRBSHNLUISN-JOCHJYFZSA-N -1 1 368.867 2.891 20 30 FFEDMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000180198359 509807017 /nfs/dbraw/zinc/80/70/17/509807017.db2.gz ZTDFCMHVRLMFHC-UHFFFAOYSA-N -1 1 366.345 2.814 20 30 FFEDMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2CCC1=O ZINC000184020738 510090408 /nfs/dbraw/zinc/09/04/08/510090408.db2.gz MAPQRAQZYUOQPS-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000187813695 510451069 /nfs/dbraw/zinc/45/10/69/510451069.db2.gz WIKFPFIGXXRBJN-CQSZACIVSA-N -1 1 352.390 2.715 20 30 FFEDMM C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188246938 510667099 /nfs/dbraw/zinc/66/70/99/510667099.db2.gz FRDXMPNJBFQLPI-AWEZNQCLSA-N -1 1 353.397 2.922 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1[O-] ZINC000188368203 510733609 /nfs/dbraw/zinc/73/36/09/510733609.db2.gz IAHAEBKGQMOTFH-UHFFFAOYSA-N -1 1 355.438 2.565 20 30 FFEDMM N#C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000188457452 510776084 /nfs/dbraw/zinc/77/60/84/510776084.db2.gz GQXCQJVNMUJXBW-NSHDSACASA-N -1 1 367.148 2.997 20 30 FFEDMM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188464846 510780045 /nfs/dbraw/zinc/78/00/45/510780045.db2.gz WKDKOVMHYHRRBR-QGZVFWFLSA-N -1 1 360.373 2.895 20 30 FFEDMM CC(C)(C#N)CCCCS(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000278141612 510983592 /nfs/dbraw/zinc/98/35/92/510983592.db2.gz GEJBZQNKWLXVLA-UHFFFAOYSA-N -1 1 352.485 2.951 20 30 FFEDMM CC(C)(C#N)CCCCS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000278141612 510983597 /nfs/dbraw/zinc/98/35/97/510983597.db2.gz GEJBZQNKWLXVLA-UHFFFAOYSA-N -1 1 352.485 2.951 20 30 FFEDMM CC(C)(C#N)CCCCS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000278141612 510983600 /nfs/dbraw/zinc/98/36/00/510983600.db2.gz GEJBZQNKWLXVLA-UHFFFAOYSA-N -1 1 352.485 2.951 20 30 FFEDMM N#CCC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000332199661 511078825 /nfs/dbraw/zinc/07/88/25/511078825.db2.gz SDYLIMKWHGKNBA-UHFFFAOYSA-N -1 1 365.199 2.699 20 30 FFEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295137263 511295075 /nfs/dbraw/zinc/29/50/75/511295075.db2.gz LUUKRDKARZEELT-SSDOTTSWSA-N -1 1 352.199 2.872 20 30 FFEDMM COc1cc(-c2noc(CSCC#N)n2)cc(Br)c1[O-] ZINC000350777192 511879480 /nfs/dbraw/zinc/87/94/80/511879480.db2.gz VFRMQPIYHHTPHO-UHFFFAOYSA-N -1 1 356.201 2.970 20 30 FFEDMM Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000350811100 511886559 /nfs/dbraw/zinc/88/65/59/511886559.db2.gz BMPPGZSOVXJMBL-UHFFFAOYSA-N -1 1 354.341 2.956 20 30 FFEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCc3nncn3C2)c1 ZINC000328933950 511952270 /nfs/dbraw/zinc/95/22/70/511952270.db2.gz CBNUWIJFCFXWQV-SECBINFHSA-N -1 1 351.204 2.905 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1 ZINC000367743664 512643903 /nfs/dbraw/zinc/64/39/03/512643903.db2.gz AHDHOPFCWHISTM-LBPRGKRZSA-N -1 1 365.842 2.609 20 30 FFEDMM COc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1 ZINC000392556632 512925702 /nfs/dbraw/zinc/92/57/02/512925702.db2.gz ISJZDSXSACCKBM-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)o1 ZINC000440046098 513234942 /nfs/dbraw/zinc/23/49/42/513234942.db2.gz RBZRSMGMCFZNLJ-MRXNPFEDSA-N -1 1 366.414 2.660 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(Cc2ccccc2)no1 ZINC000435432325 513584804 /nfs/dbraw/zinc/58/48/04/513584804.db2.gz IJECCGSMVHLTPK-LLVKDONJSA-N -1 1 374.447 2.633 20 30 FFEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435722150 513668564 /nfs/dbraw/zinc/66/85/64/513668564.db2.gz HMETYLDPMVBCJW-UHFFFAOYSA-N -1 1 358.423 2.809 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)ccc1C#N ZINC000435726876 513669414 /nfs/dbraw/zinc/66/94/14/513669414.db2.gz BVJOVDQPEKMBMB-UHFFFAOYSA-N -1 1 373.409 2.933 20 30 FFEDMM N#CCC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000435958954 513727113 /nfs/dbraw/zinc/72/71/13/513727113.db2.gz PJIILJSRCSMBJB-UHFFFAOYSA-N -1 1 369.446 2.911 20 30 FFEDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000443492692 513979178 /nfs/dbraw/zinc/97/91/78/513979178.db2.gz UVZCOCKTSJXKPD-UHFFFAOYSA-N -1 1 370.887 2.839 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1Cl ZINC000432197062 514123236 /nfs/dbraw/zinc/12/32/36/514123236.db2.gz VLRSTELPKRONEO-UHFFFAOYSA-N -1 1 359.794 2.854 20 30 FFEDMM CC[C@H](Cc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1)C(=O)[O-] ZINC000427325621 514184396 /nfs/dbraw/zinc/18/43/96/514184396.db2.gz XTUZVCVYFLUVHX-CQSZACIVSA-N -1 1 373.434 2.716 20 30 FFEDMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1C ZINC000438241128 514336393 /nfs/dbraw/zinc/33/63/93/514336393.db2.gz QPGDWKOAVCYLMJ-UHFFFAOYSA-N -1 1 369.244 2.716 20 30 FFEDMM CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000452707391 514468167 /nfs/dbraw/zinc/46/81/67/514468167.db2.gz XDLBNOLEOPRONO-UHFFFAOYSA-N -1 1 363.417 2.527 20 30 FFEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)cc1 ZINC000507985503 514632407 /nfs/dbraw/zinc/63/24/07/514632407.db2.gz KGXWFJVLRDBCCS-UHFFFAOYSA-N -1 1 358.423 2.749 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(F)c1 ZINC000475807036 514819429 /nfs/dbraw/zinc/81/94/29/514819429.db2.gz LLPDYTYRXUDEFO-UHFFFAOYSA-N -1 1 373.409 2.819 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1 ZINC000475816153 514822268 /nfs/dbraw/zinc/82/22/68/514822268.db2.gz ZWJNVYTZHUIFPO-UHFFFAOYSA-N -1 1 369.446 2.789 20 30 FFEDMM COc1ccc(C2([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000467157949 514922582 /nfs/dbraw/zinc/92/25/82/514922582.db2.gz KENRVFSYAKVPAI-UHFFFAOYSA-N -1 1 364.373 2.813 20 30 FFEDMM C=CCNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467200352 514937751 /nfs/dbraw/zinc/93/77/51/514937751.db2.gz FKFXLMJVNQLOPT-GFCCVEGCSA-N -1 1 372.450 2.650 20 30 FFEDMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561513822 516626447 /nfs/dbraw/zinc/62/64/47/516626447.db2.gz LMLQTKFMWYDBCU-BMIGLBTASA-N -1 1 354.815 2.859 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCC(C)(C)O)cc1 ZINC000554806747 516646637 /nfs/dbraw/zinc/64/66/37/516646637.db2.gz XCMUAOCNWVHUGP-UHFFFAOYSA-N -1 1 360.435 2.817 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc(Cc2ccccc2)no1 ZINC000544724987 516896574 /nfs/dbraw/zinc/89/65/74/516896574.db2.gz ANQFUFSUTOQIAD-AWEZNQCLSA-N -1 1 374.466 2.725 20 30 FFEDMM COc1cc(C#N)ccc1OCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000555444276 516930043 /nfs/dbraw/zinc/93/00/43/516930043.db2.gz LYNSYGCRHJVEDV-UHFFFAOYSA-N -1 1 364.361 2.680 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1F ZINC000562236370 516973527 /nfs/dbraw/zinc/97/35/27/516973527.db2.gz GJPIKRMHCDYDMQ-UHFFFAOYSA-N -1 1 359.382 2.625 20 30 FFEDMM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000546075009 517530163 /nfs/dbraw/zinc/53/01/63/517530163.db2.gz CXVGKDFTIVZQDO-CQSZACIVSA-N -1 1 358.504 2.748 20 30 FFEDMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1C#N ZINC000530144940 517589068 /nfs/dbraw/zinc/58/90/68/517589068.db2.gz KLJXLSZVHUDKFU-LBPRGKRZSA-N -1 1 358.419 2.829 20 30 FFEDMM COCc1ccc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)cc1C#N ZINC000530145283 517590579 /nfs/dbraw/zinc/59/05/79/517590579.db2.gz JHCHIWRXMKSGPH-GOSISDBHSA-N -1 1 360.435 2.834 20 30 FFEDMM C=CCNc1ncc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)s1 ZINC000533873890 517649475 /nfs/dbraw/zinc/64/94/75/517649475.db2.gz AETHJTSYUNQFTK-UHFFFAOYSA-N -1 1 365.871 2.942 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(Br)c2)o1 ZINC000553480537 517737508 /nfs/dbraw/zinc/73/75/08/517737508.db2.gz XUGSHHHMAUSHHM-OLZOCXBDSA-N -1 1 367.224 2.748 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Br)c2)o1 ZINC000553480538 517737686 /nfs/dbraw/zinc/73/76/86/517737686.db2.gz XUGSHHHMAUSHHM-QWHCGFSZSA-N -1 1 367.224 2.748 20 30 FFEDMM Cn1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(=O)c2ccccc21 ZINC000522700827 518151017 /nfs/dbraw/zinc/15/10/17/518151017.db2.gz NUSOVGPDHLINTB-LBPRGKRZSA-N -1 1 372.306 2.837 20 30 FFEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC000567553125 518581307 /nfs/dbraw/zinc/58/13/07/518581307.db2.gz BVBXEVWBTRYNEF-UHFFFAOYSA-N -1 1 364.398 2.913 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCc2cccc(Br)c2)o1 ZINC000588115130 518728154 /nfs/dbraw/zinc/72/81/54/518728154.db2.gz BHAIQNTXJCNGDB-UHFFFAOYSA-N -1 1 369.240 2.825 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000589168296 518938106 /nfs/dbraw/zinc/93/81/06/518938106.db2.gz CMWRAPNNCBHSFN-UHFFFAOYSA-N -1 1 355.438 2.519 20 30 FFEDMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2ccncc2)no1 ZINC000589175487 518940976 /nfs/dbraw/zinc/94/09/76/518940976.db2.gz LFYNCCWNULSXMK-MRXNPFEDSA-N -1 1 363.377 2.836 20 30 FFEDMM COc1ccc(C[C@H](C)CNC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589195522 518947924 /nfs/dbraw/zinc/94/79/24/518947924.db2.gz FHJKOYNOFNUVPN-ZDUSSCGKSA-N -1 1 354.406 2.890 20 30 FFEDMM Cn1cc([C@@H](NC(=O)c2cc([O-])cc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000589209510 518951428 /nfs/dbraw/zinc/95/14/28/518951428.db2.gz GTOWBKILKRDFNJ-SFHVURJKSA-N -1 1 350.353 2.656 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(C#N)C3)c2)cc1F ZINC000590489026 519245241 /nfs/dbraw/zinc/24/52/41/519245241.db2.gz MXOKZKGXMIWDHG-UHFFFAOYSA-N -1 1 373.409 2.531 20 30 FFEDMM COC(=O)C[C@@](C)(NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(F)c1 ZINC000616172516 519932259 /nfs/dbraw/zinc/93/22/59/519932259.db2.gz GEJGRDQOZVZJIT-LJQANCHMSA-N -1 1 356.353 2.611 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)CCCC1 ZINC000594817870 520172538 /nfs/dbraw/zinc/17/25/38/520172538.db2.gz FPFBNZPYOIBXJV-CYBMUJFWSA-N -1 1 368.421 2.880 20 30 FFEDMM COCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000610123649 520548532 /nfs/dbraw/zinc/54/85/32/520548532.db2.gz BSNOLHREGXISTB-UHFFFAOYSA-N -1 1 360.435 2.831 20 30 FFEDMM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1nc2cc(F)ccc2s1 ZINC000592973595 520667099 /nfs/dbraw/zinc/66/70/99/520667099.db2.gz HZKCCTQZUTVSDF-ZDUSSCGKSA-N -1 1 364.365 2.901 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1cc(C)cc(C)c1 ZINC000601393840 520771854 /nfs/dbraw/zinc/77/18/54/520771854.db2.gz JNGJYNFPXITAQM-GOSISDBHSA-N -1 1 372.446 2.562 20 30 FFEDMM C[C@@H]1CN(Cc2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)C[C@@H](C)O1 ZINC000614294112 520894472 /nfs/dbraw/zinc/89/44/72/520894472.db2.gz SMZLWPQBVPVUMO-VXGBXAGGSA-N -1 1 372.450 2.582 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000614293343 520895446 /nfs/dbraw/zinc/89/54/46/520895446.db2.gz KHAIDEOSVKYOEN-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM COc1cccc(N2CC[C@H](CNC(=O)c3cc([O-])cc(C#N)c3)C2)c1 ZINC000614298515 520897154 /nfs/dbraw/zinc/89/71/54/520897154.db2.gz QVVNJLVZMUWXDU-CQSZACIVSA-N -1 1 351.406 2.529 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)c1 ZINC000614367117 520927449 /nfs/dbraw/zinc/92/74/49/520927449.db2.gz GEZWJLYXOOZENX-INIZCTEOSA-N -1 1 371.393 2.557 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000614370141 520929713 /nfs/dbraw/zinc/92/97/13/520929713.db2.gz MZUOATZBOQJHIO-MRXNPFEDSA-N -1 1 369.808 2.843 20 30 FFEDMM Cc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)nc2ccccc12 ZINC000611016930 520948952 /nfs/dbraw/zinc/94/89/52/520948952.db2.gz DBTFOTQAJNCBBN-UHFFFAOYSA-N -1 1 372.837 2.942 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc3n2[C@H](C)CCC3)n1 ZINC000593456800 521006004 /nfs/dbraw/zinc/00/60/04/521006004.db2.gz JBQVXXMSWLATKB-GHMZBOCLSA-N -1 1 358.423 2.904 20 30 FFEDMM COC(=O)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)c(F)c1 ZINC000614720512 521108420 /nfs/dbraw/zinc/10/84/20/521108420.db2.gz XNROFOLTYHWBNJ-HNNXBMFYSA-N -1 1 362.744 2.700 20 30 FFEDMM C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)n1 ZINC000593827292 521234674 /nfs/dbraw/zinc/23/46/74/521234674.db2.gz CLJSQUMKYXRWSC-SJCJKPOMSA-N -1 1 366.421 2.865 20 30 FFEDMM CC(C)(C#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000611690748 521283091 /nfs/dbraw/zinc/28/30/91/521283091.db2.gz VIGMLLBFDYQOSB-UHFFFAOYSA-N -1 1 357.435 2.767 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)c1 ZINC000619677048 521821550 /nfs/dbraw/zinc/82/15/50/521821550.db2.gz HOQVLMPBXFTPFG-KRWDZBQOSA-N -1 1 361.401 2.829 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(O)cc1F ZINC000735450969 598356731 /nfs/dbraw/zinc/35/67/31/598356731.db2.gz LMUBFJBTWYZRLE-UHFFFAOYSA-N -1 1 359.365 2.833 20 30 FFEDMM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737030408 601117599 /nfs/dbraw/zinc/11/75/99/601117599.db2.gz WAFBPHSQDFIHPH-UHFFFAOYSA-N -1 1 365.436 2.941 20 30 FFEDMM COCCOc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831766950 601497858 /nfs/dbraw/zinc/49/78/58/601497858.db2.gz BHYHVUZLEWUOEE-LJQANCHMSA-N -1 1 354.406 2.807 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000825967631 601525184 /nfs/dbraw/zinc/52/51/84/601525184.db2.gz XORZKMHBJAEQTD-MCIONIFRSA-N -1 1 361.467 2.529 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000738492527 602774544 /nfs/dbraw/zinc/77/45/44/602774544.db2.gz SVRAOJMDCVVOGU-YCPHGPKFSA-N -1 1 365.499 2.629 20 30 FFEDMM COc1cc2c(cc1OC)CCN(Cc1cccc(C(=O)[O-])c1C#N)CC2 ZINC000833730257 604605907 /nfs/dbraw/zinc/60/59/07/604605907.db2.gz PEAYWVVVYRGXSI-UHFFFAOYSA-N -1 1 366.417 2.874 20 30 FFEDMM N#Cc1ccc2ncc(CN3CCC[C@H]([C@@H]4CCCN4C(=O)[O-])C3)n2c1 ZINC000833975959 605466338 /nfs/dbraw/zinc/46/63/38/605466338.db2.gz AFOZSMRCFQRTPL-RDJZCZTQSA-N -1 1 353.426 2.560 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833402329 605598490 /nfs/dbraw/zinc/59/84/90/605598490.db2.gz JCGBWRIKWSMQKJ-YKWSONSWSA-N -1 1 372.402 2.876 20 30 FFEDMM N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1nnc2n1CCCCC2 ZINC000833959661 606090789 /nfs/dbraw/zinc/09/07/89/606090789.db2.gz BNEJGNMNTXQGDI-CYBMUJFWSA-N -1 1 353.382 2.513 20 30 FFEDMM CCOc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821422308 606368440 /nfs/dbraw/zinc/36/84/40/606368440.db2.gz SVXSOPPEGBHUTH-UHFFFAOYSA-N -1 1 373.467 2.647 20 30 FFEDMM COc1cc(C)cc2c1OCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000821707680 606390661 /nfs/dbraw/zinc/39/06/61/606390661.db2.gz BYIXWDVUAIKKJV-JXMROGBWSA-N -1 1 354.391 2.904 20 30 FFEDMM COc1cc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)ccc1O ZINC000821708091 606856693 /nfs/dbraw/zinc/85/66/93/606856693.db2.gz KCECLFSBCUZKET-UHFFFAOYSA-N -1 1 371.401 2.703 20 30 FFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1OC ZINC000826191171 608092644 /nfs/dbraw/zinc/09/26/44/608092644.db2.gz YXZIPOGNFVWCRB-GQCTYLIASA-N -1 1 372.406 2.850 20 30 FFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1OC ZINC000826191171 608092645 /nfs/dbraw/zinc/09/26/45/608092645.db2.gz YXZIPOGNFVWCRB-GQCTYLIASA-N -1 1 372.406 2.850 20 30 FFEDMM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823962932 608094780 /nfs/dbraw/zinc/09/47/80/608094780.db2.gz SPEDOHNFLWOGGT-UHFFFAOYSA-N -1 1 365.426 2.560 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(C)c(Br)c2)o1 ZINC000826323108 608474166 /nfs/dbraw/zinc/47/41/66/608474166.db2.gz QIDIDZRHUFUWMZ-UHFFFAOYSA-N -1 1 362.191 2.680 20 30 FFEDMM C=C(C)CN(CC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823878357 609357372 /nfs/dbraw/zinc/35/73/72/609357372.db2.gz WLBMAZWEDXQZBU-UHFFFAOYSA-N -1 1 370.392 2.621 20 30 FFEDMM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000161184025 728929726 /nfs/dbraw/zinc/92/97/26/728929726.db2.gz UMUXNSPJTYXNBE-VIFPVBQESA-N -1 1 368.361 2.590 20 30 FFEDMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)NC1(C#N)CCCCC1 ZINC000116109682 728569660 /nfs/dbraw/zinc/56/96/60/728569660.db2.gz GZAXUTTUPBZKKX-SNVBAGLBSA-N -1 1 352.337 2.558 20 30 FFEDMM N#Cc1ccc(NC(=O)Cc2sc(N3CCCCCC3)nc2[O-])cc1 ZINC000122940606 728653457 /nfs/dbraw/zinc/65/34/57/728653457.db2.gz VCICNOFXAQDMPK-HNNXBMFYSA-N -1 1 356.451 2.761 20 30 FFEDMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000174055093 729061493 /nfs/dbraw/zinc/06/14/93/729061493.db2.gz DGDQKQFXRCECRF-UHFFFAOYSA-N -1 1 363.826 2.995 20 30 FFEDMM C#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000191058305 729414179 /nfs/dbraw/zinc/41/41/79/729414179.db2.gz MKOILOUGOWXAEN-UHFFFAOYSA-N -1 1 356.447 2.809 20 30 FFEDMM COc1ccc(Br)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000254885871 729627316 /nfs/dbraw/zinc/62/73/16/729627316.db2.gz UWAQFYDVZFHZEF-BYPUDFOVSA-N -1 1 365.179 2.686 20 30 FFEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@H](O)CC2(C#N)CC2)c1 ZINC000863558965 730790502 /nfs/dbraw/zinc/79/05/02/730790502.db2.gz CEAXKQBWRXGZJF-CQSZACIVSA-N -1 1 355.360 2.640 20 30 FFEDMM C=CCC[C@@H](O)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000652489700 731200968 /nfs/dbraw/zinc/20/09/68/731200968.db2.gz GLEBWYCNFYLNBZ-DOMZBBRYSA-N -1 1 354.244 2.588 20 30 FFEDMM Cc1oc(C#N)cc1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870162437 731477281 /nfs/dbraw/zinc/47/72/81/731477281.db2.gz MUYRMOKYYKKMCI-UHFFFAOYSA-N -1 1 359.813 2.777 20 30 FFEDMM CC[C@@H](C#N)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315353 731618611 /nfs/dbraw/zinc/61/86/11/731618611.db2.gz BPJZEBKQKXCHCL-RYUDHWBXSA-N -1 1 353.344 2.735 20 30 FFEDMM C#CC[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)(C)C ZINC000781552013 738635840 /nfs/dbraw/zinc/63/58/40/738635840.db2.gz WQCBQZCQSURDRJ-ZDUSSCGKSA-N -1 1 355.456 2.951 20 30 FFEDMM CC[C@@]1(C)NC(=O)N(N=Cc2cc(C)cc(Br)c2[O-])C1=O ZINC000781583649 738638933 /nfs/dbraw/zinc/63/89/33/738638933.db2.gz HWHSMHRNUSCGBC-CQSZACIVSA-N -1 1 354.204 2.518 20 30 FFEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@H]1CCSC1 ZINC000782177662 738694977 /nfs/dbraw/zinc/69/49/77/738694977.db2.gz RSXUVBGPPOMPKJ-SNVBAGLBSA-N -1 1 352.441 2.610 20 30 FFEDMM C[S@@](=O)(=NS(=O)(=O)[N-]c1ccc(C#N)cc1F)C1CCCCC1 ZINC000882709988 733276076 /nfs/dbraw/zinc/27/60/76/733276076.db2.gz RGZHLZGPLHDYLA-QFIPXVFZSA-N -1 1 359.448 2.785 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362770 734633646 /nfs/dbraw/zinc/63/36/46/734633646.db2.gz VIVPZGIDMKMEDC-OAHLLOKOSA-N -1 1 359.209 2.910 20 30 FFEDMM C#CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000733367194 734814324 /nfs/dbraw/zinc/81/43/24/734814324.db2.gz TZMQOYLUVIOANN-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM C#CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000733978791 734865447 /nfs/dbraw/zinc/86/54/47/734865447.db2.gz WKYLKSQZYLKEJQ-UHFFFAOYSA-N -1 1 360.410 2.768 20 30 FFEDMM C#CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000733978564 734865513 /nfs/dbraw/zinc/86/55/13/734865513.db2.gz HOUWFOHCOSSJQL-UHFFFAOYSA-N -1 1 356.447 2.937 20 30 FFEDMM CSCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000748255503 735630633 /nfs/dbraw/zinc/63/06/33/735630633.db2.gz WXHAVZLGERQPLQ-UHFFFAOYSA-N -1 1 365.436 2.640 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000748254816 735630734 /nfs/dbraw/zinc/63/07/34/735630734.db2.gz HXGWDHBCDZPHDB-UHFFFAOYSA-N -1 1 355.322 2.576 20 30 FFEDMM Cc1oc(NC(=O)COC(=O)c2c([O-])cc(F)cc2F)c(C#N)c1C ZINC000749278720 735710405 /nfs/dbraw/zinc/71/04/05/735710405.db2.gz KUDFJNWQDJAYDU-UHFFFAOYSA-N -1 1 350.277 2.547 20 30 FFEDMM C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(=O)NC1(C#N)CCC1 ZINC000901617608 735806011 /nfs/dbraw/zinc/80/60/11/735806011.db2.gz WWCSIVVCWLSORB-GFCCVEGCSA-N -1 1 354.435 2.892 20 30 FFEDMM CCN(C[C@H](C)C#N)C(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901619342 735806682 /nfs/dbraw/zinc/80/66/82/735806682.db2.gz OOEHJFDZLOQHCR-CYBMUJFWSA-N -1 1 356.451 2.949 20 30 FFEDMM COC(=O)c1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c[nH]1 ZINC000753160997 736042252 /nfs/dbraw/zinc/04/22/52/736042252.db2.gz FLSGSOQEBXAOMF-UHFFFAOYSA-N -1 1 373.463 2.856 20 30 FFEDMM C=CCOc1c(Cl)cc(CNCc2cnn(C)c2C(=O)[O-])cc1OC ZINC000904068751 736216471 /nfs/dbraw/zinc/21/64/71/736216471.db2.gz WOIANQIRRNDGMO-UHFFFAOYSA-N -1 1 365.817 2.635 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000756890123 736370444 /nfs/dbraw/zinc/37/04/44/736370444.db2.gz HRTHUDXQFNWGCY-GXFFZTMASA-N -1 1 365.817 2.534 20 30 FFEDMM CC(C)c1ncc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000758375420 736481247 /nfs/dbraw/zinc/48/12/47/736481247.db2.gz UQRUSGXKFLSBML-UHFFFAOYSA-N -1 1 368.440 2.628 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(C)ccc1F ZINC000763356961 736930659 /nfs/dbraw/zinc/93/06/59/736930659.db2.gz CQYUUEOPUKJVTR-UHFFFAOYSA-N -1 1 351.359 2.745 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(F)cc2C(F)(F)F)c2ccccc21 ZINC000771876726 737764074 /nfs/dbraw/zinc/76/40/74/737764074.db2.gz CITWGWRUSLCSQY-UHFFFAOYSA-N -1 1 371.315 2.917 20 30 FFEDMM N#Cc1cc(CS(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@H]2F)cs1 ZINC000921318212 737960127 /nfs/dbraw/zinc/96/01/27/737960127.db2.gz SGPNYQVBIUWNJC-UKRRQHHQSA-N -1 1 352.412 2.511 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCCc2ccc(F)cc21 ZINC000776188274 738169310 /nfs/dbraw/zinc/16/93/10/738169310.db2.gz YJLSGKVPKXQVDG-UHFFFAOYSA-N -1 1 363.370 2.753 20 30 FFEDMM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000792477062 739674446 /nfs/dbraw/zinc/67/44/46/739674446.db2.gz XTGDLBDXNRUZDF-GFCCVEGCSA-N -1 1 371.194 2.742 20 30 FFEDMM C#Cc1ccc(NC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)cc1 ZINC000934922104 739867057 /nfs/dbraw/zinc/86/70/57/739867057.db2.gz HPIVSOQCAQWTAP-BXUZGUMPSA-N -1 1 353.344 2.731 20 30 FFEDMM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000796097381 740100675 /nfs/dbraw/zinc/10/06/75/740100675.db2.gz MPDAOLJRDFVSAS-AWEZNQCLSA-N -1 1 365.401 2.886 20 30 FFEDMM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000796097382 740100829 /nfs/dbraw/zinc/10/08/29/740100829.db2.gz MPDAOLJRDFVSAS-CQSZACIVSA-N -1 1 365.401 2.886 20 30 FFEDMM COC(=O)c1ccc(C(=O)OCc2cc(C#N)ccc2Br)[n-]1 ZINC000796349030 740134440 /nfs/dbraw/zinc/13/44/40/740134440.db2.gz ARSFEWGVLAHSGY-UHFFFAOYSA-N -1 1 363.167 2.792 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c1 ZINC000811835972 741566141 /nfs/dbraw/zinc/56/61/41/741566141.db2.gz YCKNWFUOXJXCTC-UHFFFAOYSA-N -1 1 365.842 2.760 20 30 FFEDMM CCn1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000815910450 741972178 /nfs/dbraw/zinc/97/21/78/741972178.db2.gz YDNCEWJDYXKLJM-GFCCVEGCSA-N -1 1 366.208 2.874 20 30 FFEDMM CCn1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000815910451 741972233 /nfs/dbraw/zinc/97/22/33/741972233.db2.gz YDNCEWJDYXKLJM-LBPRGKRZSA-N -1 1 366.208 2.874 20 30 FFEDMM CCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000815908841 741972321 /nfs/dbraw/zinc/97/23/21/741972321.db2.gz KLQXHLUEWRPXIC-SECBINFHSA-N -1 1 352.181 2.566 20 30 FFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]O[C@@H](CO)C(C)C)s1 ZINC000819558040 742407160 /nfs/dbraw/zinc/40/71/60/742407160.db2.gz LJFHPXOZRMLPIG-NSHDSACASA-N -1 1 364.920 2.903 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2nc(Cl)c(C#N)s2)c(=O)[n-]1 ZINC000841227182 747301570 /nfs/dbraw/zinc/30/15/70/747301570.db2.gz ZTFWHUWGUXYETH-UHFFFAOYSA-N -1 1 369.859 2.765 20 30 FFEDMM N#Cc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000841571221 747407988 /nfs/dbraw/zinc/40/79/88/747407988.db2.gz BKEUSSFOGXLGGW-CQSZACIVSA-N -1 1 363.420 2.884 20 30 FFEDMM N#CCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000487344014 845916657 /nfs/dbraw/zinc/91/66/57/845916657.db2.gz VIAHTGCKNFPBPA-UHFFFAOYSA-N -1 1 358.044 2.948 20 30 FFEDMM N#C[C@H](C(=O)C[C@@H]1CCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817746 845179586 /nfs/dbraw/zinc/17/95/86/845179586.db2.gz ZDWWKLNZEJCAPS-CMPLNLGQSA-N -1 1 357.435 2.609 20 30 FFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000384134575 845824768 /nfs/dbraw/zinc/82/47/68/845824768.db2.gz DDXSDZIJHIGDAR-NSHDSACASA-N -1 1 351.653 2.578 20 30 FFEDMM C=CCCN(CC(=O)[N-]C(=O)c1ccc(OC)cc1)OCc1ccccc1 ZINC000782665185 969301434 /nfs/dbraw/zinc/30/14/34/969301434.db2.gz QPTLJNMWHDTOFI-UHFFFAOYSA-N -1 1 368.433 2.962 20 30 FFEDMM Cc1cc(C#N)cc(C)c1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000899131488 976956508 /nfs/dbraw/zinc/95/65/08/976956508.db2.gz LZAIBJIVQOQWPR-ZDUSSCGKSA-N -1 1 367.371 2.706 20 30 FFEDMM N#CCc1ccc([N+](=O)[O-])c(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167939063 978238141 /nfs/dbraw/zinc/23/81/41/978238141.db2.gz NRZUUEBHFUFUGI-UHFFFAOYSA-N -1 1 373.305 2.746 20 30 FFEDMM C=C(C)C[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000908775000 981520182 /nfs/dbraw/zinc/52/01/82/981520182.db2.gz ALMQYKQERAIPDU-KRWDZBQOSA-N -1 1 363.433 2.509 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908924121 981576951 /nfs/dbraw/zinc/57/69/51/981576951.db2.gz CRLGCJXXNSAKHS-CVEARBPZSA-N -1 1 363.458 2.834 20 30 FFEDMM C#CC[C@@H](NC(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC)C(=O)[O-] ZINC000910050030 981793864 /nfs/dbraw/zinc/79/38/64/981793864.db2.gz CIAVEWWBJXFTOF-CABCVRRESA-N -1 1 370.371 2.681 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3Cl)c2)c(=O)o1 ZINC000138786129 984176493 /nfs/dbraw/zinc/17/64/93/984176493.db2.gz PXTVHKAUPOINFG-DKFQHHCZSA-N -1 1 370.792 2.813 20 30 FFEDMM COCC#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000762760088 988621002 /nfs/dbraw/zinc/62/10/02/988621002.db2.gz UTRUYPYGOKOKNJ-UHFFFAOYSA-N -1 1 373.430 2.602 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1 ZINC000919962829 990770834 /nfs/dbraw/zinc/77/08/34/990770834.db2.gz KZFNHVIVJXYFON-UHFFFAOYSA-N -1 1 374.462 2.731 20 30 FFEDMM CN(C)CC#CCNC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001598197147 990805063 /nfs/dbraw/zinc/80/50/63/990805063.db2.gz WIHJNEPHGVLCJZ-UHFFFAOYSA-N -1 1 369.874 2.593 20 30 FFEDMM COc1ccc([C@]2(C)NC(=O)N(N=Cc3ccc([O-])c(Cl)c3)C2=O)cc1 ZINC000921256866 991021161 /nfs/dbraw/zinc/02/11/61/991021161.db2.gz CHPUHDPDIIWKDY-SFHVURJKSA-N -1 1 373.796 2.855 20 30 FFEDMM C[C@@H](OCC1CC1)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000064667726 991212496 /nfs/dbraw/zinc/21/24/96/991212496.db2.gz STOXZWFZSZDHRC-MFKMUULPSA-N -1 1 371.462 2.855 20 30 FFEDMM CN(C[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000809667038 994576073 /nfs/dbraw/zinc/57/60/73/994576073.db2.gz PDDNEXFZYDOUMD-ZDUSSCGKSA-N -1 1 359.426 2.593 20 30 FFEDMM C=CCOCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000679494024 1016080167 /nfs/dbraw/zinc/08/01/67/1016080167.db2.gz JJHNMIABHTXSCM-UHFFFAOYSA-N -1 1 374.462 2.728 20 30 FFEDMM Cc1ccsc1C(Cc1ccccc1)=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000735971808 999527008 /nfs/dbraw/zinc/52/70/08/999527008.db2.gz XVASQMCEKAQIOB-UHFFFAOYSA-N -1 1 364.434 2.861 20 30 FFEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cnc3[nH]cccc2-3)C1=O ZINC000741285252 999718121 /nfs/dbraw/zinc/71/81/21/999718121.db2.gz YMVDIRLKKOGAMR-IBGZPJMESA-N -1 1 371.441 2.879 20 30 FFEDMM O=c1nc(NN=Cc2cc(Cl)ccc2OC2CCCC2)nc2[nH][n-]cc1-2 ZINC000743441030 999819706 /nfs/dbraw/zinc/81/97/06/999819706.db2.gz BHKNZTWWKMJVSE-UHFFFAOYSA-N -1 1 372.816 2.853 20 30 FFEDMM Cc1cc(=O)n(-c2ccc(C(=O)N=C(N)c3ccc4ccccc4n3)cc2)[n-]1 ZINC001148341321 1001125703 /nfs/dbraw/zinc/12/57/03/1001125703.db2.gz XXZWOSAQCCZQQW-UHFFFAOYSA-N -1 1 371.400 2.893 20 30 FFEDMM CN1CCN(c2ccc(/C=C/C(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000771529022 1001138548 /nfs/dbraw/zinc/13/85/48/1001138548.db2.gz RNWGKSQUZUHESR-XBXARRHUSA-N -1 1 367.405 2.948 20 30 FFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000785542245 1001451322 /nfs/dbraw/zinc/45/13/22/1001451322.db2.gz ZLZIVEJNYDCPEE-GFCCVEGCSA-N -1 1 351.362 2.711 20 30 FFEDMM CN(C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1)C(=O)OC(C)(C)C ZINC000785585384 1001454588 /nfs/dbraw/zinc/45/45/88/1001454588.db2.gz JLARYXJBCFNGHZ-CYBMUJFWSA-N -1 1 359.426 2.593 20 30 FFEDMM NC(=O)c1ccc(OCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1 ZINC001184235376 1002535934 /nfs/dbraw/zinc/53/59/34/1002535934.db2.gz KCLSAZZTDWSIMO-UHFFFAOYSA-N -1 1 369.204 2.889 20 30 FFEDMM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC001184340867 1002576021 /nfs/dbraw/zinc/57/60/21/1002576021.db2.gz RRFOQUKSRHXXDB-SFHVURJKSA-N -1 1 370.449 2.831 20 30 FFEDMM N#Cc1c(Nc2[n-]c(=O)nc3nc[nH]c32)nc(Cl)cc1C(F)(F)F ZINC001170224287 1003072909 /nfs/dbraw/zinc/07/29/09/1003072909.db2.gz WKOOXPABQXSEME-UHFFFAOYSA-N -1 1 355.667 2.741 20 30 FFEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186743394 1003405893 /nfs/dbraw/zinc/40/58/93/1003405893.db2.gz LVCCTNOXQXQAIM-QMMMGPOBSA-N -1 1 367.215 2.944 20 30 FFEDMM N#CCCN1CCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)CC1 ZINC001196315325 1003732806 /nfs/dbraw/zinc/73/28/06/1003732806.db2.gz CEFQFMNEMMXAMN-UHFFFAOYSA-N -1 1 360.417 2.602 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)cc1F ZINC001192277974 1004115131 /nfs/dbraw/zinc/11/51/31/1004115131.db2.gz IDJIEPGAKNGLBE-UHFFFAOYSA-N -1 1 357.366 2.966 20 30 FFEDMM N#Cc1ccc(NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)c([O-])c1 ZINC001192676071 1004235800 /nfs/dbraw/zinc/23/58/00/1004235800.db2.gz OKMXWRHXTYDVSF-UHFFFAOYSA-N -1 1 356.357 2.884 20 30 FFEDMM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@@H](C)CC ZINC001197616239 1004280983 /nfs/dbraw/zinc/28/09/83/1004280983.db2.gz NWMXJAOZEAVJAS-NHYWBVRUSA-N -1 1 361.410 2.528 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001193146531 1004389935 /nfs/dbraw/zinc/38/99/35/1004389935.db2.gz OSGFTCVSBQZKPV-LLVKDONJSA-N -1 1 351.428 2.638 20 30 FFEDMM N#Cc1ccnc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000807108606 1004510315 /nfs/dbraw/zinc/51/03/15/1004510315.db2.gz ZWIYYYFRIZZXGV-INIZCTEOSA-N -1 1 370.840 2.707 20 30 FFEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cncc(OCC2CCOCC2)n1 ZINC001199165867 1004854693 /nfs/dbraw/zinc/85/46/93/1004854693.db2.gz AQHFHPKVMIXRTL-UHFFFAOYSA-N -1 1 374.347 2.684 20 30 FFEDMM COCCOc1ccnc(C(=O)[N-]c2sc3ccccc3c2C#N)n1 ZINC001199190133 1004862810 /nfs/dbraw/zinc/86/28/10/1004862810.db2.gz WRMSPHUYIIJLIL-UHFFFAOYSA-N -1 1 354.391 2.840 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2sc(C)cc2C#N)c(C)cc1O ZINC001195344979 1004944606 /nfs/dbraw/zinc/94/46/06/1004944606.db2.gz GFHRLUOMQBSXKP-UHFFFAOYSA-N -1 1 366.420 2.530 20 30 FFEDMM COC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1 ZINC001201324119 1005199926 /nfs/dbraw/zinc/19/99/26/1005199926.db2.gz VYFZLIKYTXXNOH-UXBLZVDNSA-N -1 1 356.403 2.854 20 30 FFEDMM COc1ccc(N2CCC(NC(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000776343852 1005376834 /nfs/dbraw/zinc/37/68/34/1005376834.db2.gz KAPMVLFYGRDFBX-UHFFFAOYSA-N -1 1 351.406 2.671 20 30 FFEDMM N#Cc1cc(Br)ccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001134127933 1006168795 /nfs/dbraw/zinc/16/87/95/1006168795.db2.gz FOWPBEJYWCWRLO-UHFFFAOYSA-N -1 1 360.093 2.710 20 30 FFEDMM CCCCCCCCS(=O)(=O)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001188010224 1006364519 /nfs/dbraw/zinc/36/45/19/1006364519.db2.gz JCXDKXSVZUBCRM-UHFFFAOYSA-N -1 1 372.453 2.820 20 30 FFEDMM C[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853988515 1006617442 /nfs/dbraw/zinc/61/74/42/1006617442.db2.gz BNLHKYGALUJUGA-ABAIWWIYSA-N -1 1 362.355 3.000 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC001135476715 1006976871 /nfs/dbraw/zinc/97/68/71/1006976871.db2.gz XOZDQVPBDPDZJE-OAHLLOKOSA-N -1 1 354.410 2.517 20 30 FFEDMM COCc1ccc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)o1 ZINC001189266595 1007000569 /nfs/dbraw/zinc/00/05/69/1007000569.db2.gz XMKPOFODYDXARE-UHFFFAOYSA-N -1 1 358.272 2.890 20 30 FFEDMM O=C(/C=C/[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC001190340359 1007590039 /nfs/dbraw/zinc/59/00/39/1007590039.db2.gz RAZXUFWZHBKEIM-ONEGZZNKSA-N -1 1 365.226 2.768 20 30 FFEDMM C=CCC1(S(=O)(=O)[N-]c2cn3c(cccc3Br)n2)CC1 ZINC001190776368 1007778268 /nfs/dbraw/zinc/77/82/68/1007778268.db2.gz DKKVQGFUGRYVPL-UHFFFAOYSA-N -1 1 356.245 2.947 20 30 FFEDMM C=CCC1(S(=O)(=O)[N-][C@@H](c2nnc(C)o2)c2ccccc2OC)CC1 ZINC001190845138 1007806588 /nfs/dbraw/zinc/80/65/88/1007806588.db2.gz JMUASOMLHNFGSO-OAHLLOKOSA-N -1 1 363.439 2.504 20 30 FFEDMM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190969683 1007854642 /nfs/dbraw/zinc/85/46/42/1007854642.db2.gz ICRWGYIELNBNTL-UHFFFAOYSA-N -1 1 367.789 2.511 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)c1C#N ZINC000137525189 1008619814 /nfs/dbraw/zinc/61/98/14/1008619814.db2.gz QUXQWIGLYKGPCS-OAHLLOKOSA-N -1 1 371.462 2.893 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)Nc2ccc(C#N)cc2[O-])C1 ZINC001179282112 1009310834 /nfs/dbraw/zinc/31/08/34/1009310834.db2.gz QHNMJMDBCYNTKE-ORAYPTAESA-N -1 1 357.410 2.849 20 30 FFEDMM N#Cc1ccc(C2CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)cc1 ZINC000887700265 1009471602 /nfs/dbraw/zinc/47/16/02/1009471602.db2.gz FULDXCQJROLIKH-UHFFFAOYSA-N -1 1 363.446 2.909 20 30 FFEDMM CO[C@@](C(=O)N([O-])C(=N)c1ccccc1N)(c1ccccc1)C(F)(F)F ZINC001180108595 1009564491 /nfs/dbraw/zinc/56/44/91/1009564491.db2.gz ROTBYXPMCWKKNX-MRXNPFEDSA-N -1 1 367.327 2.916 20 30 FFEDMM C#CC[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000862556979 1009881402 /nfs/dbraw/zinc/88/14/02/1009881402.db2.gz ZVFAHAZUDDPRTI-MRXNPFEDSA-N -1 1 368.458 2.973 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)[C@H]1CCCC[C@H]1O ZINC001181084231 1009960706 /nfs/dbraw/zinc/96/07/06/1009960706.db2.gz HVOZTMRBSAJOEB-QMBHURKLSA-N -1 1 372.450 2.711 20 30 FFEDMM CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)N([O-])C(=N)c1ccccc1N ZINC001181169095 1010000221 /nfs/dbraw/zinc/00/02/21/1010000221.db2.gz LTJUAMMBSYUQAY-QGZVFWFLSA-N -1 1 368.437 2.657 20 30 FFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000863715607 1010302067 /nfs/dbraw/zinc/30/20/67/1010302067.db2.gz YARHXVJWIDSVAM-UHFFFAOYSA-N -1 1 350.422 2.879 20 30 FFEDMM N#Cc1nccc(N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)n1 ZINC000866143643 1010938510 /nfs/dbraw/zinc/93/85/10/1010938510.db2.gz YODQHUUVPNEAEX-NSHDSACASA-N -1 1 361.327 2.652 20 30 FFEDMM CCCC[C@H](CC(C)C)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001173258401 1012376285 /nfs/dbraw/zinc/37/62/85/1012376285.db2.gz TYMCQOULYITBGW-ZIAGYGMSSA-N -1 1 356.469 2.607 20 30 FFEDMM CCCC[C@H](CC(C)C)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001173258401 1012376300 /nfs/dbraw/zinc/37/63/00/1012376300.db2.gz TYMCQOULYITBGW-ZIAGYGMSSA-N -1 1 356.469 2.607 20 30 FFEDMM Cc1ccc(-n2cc([O-])c(C(=O)OCC(=O)c3cccc(C#N)c3)n2)cc1 ZINC000801369904 1018900381 /nfs/dbraw/zinc/90/03/81/1018900381.db2.gz CNGMUNUZRYSLTQ-UHFFFAOYSA-N -1 1 361.357 2.798 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCSCc2ccnc(Cl)c2)c2ccccc21 ZINC001116512083 1021256530 /nfs/dbraw/zinc/25/65/30/1021256530.db2.gz TWLNCUACSAGBQN-UHFFFAOYSA-N -1 1 367.883 2.707 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc2[nH]ccc21 ZINC001117533179 1021744002 /nfs/dbraw/zinc/74/40/02/1021744002.db2.gz WHBCAJOIAUYEDB-UHFFFAOYSA-N -1 1 369.402 2.821 20 30 FFEDMM C#CCN1CC[C@]2(CCCN(C(=O)c3cccc([O-])c3Cl)CC2)C1=O ZINC001276392086 1033025537 /nfs/dbraw/zinc/02/55/37/1033025537.db2.gz KIDRQAMYKBDFDB-LJQANCHMSA-N -1 1 360.841 2.524 20 30 FFEDMM C#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])cc1 ZINC001137774982 1033054535 /nfs/dbraw/zinc/05/45/35/1033054535.db2.gz OHNTYWLQXZBWNS-UHFFFAOYSA-N -1 1 372.446 2.656 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnn(-c2ccc(Cl)cc2)n1 ZINC000752476996 1023148413 /nfs/dbraw/zinc/14/84/13/1023148413.db2.gz JOUACKBGMZFZDY-HNNXBMFYSA-N -1 1 365.780 2.882 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cccc3)nc2)n1 ZINC000753395586 1023318279 /nfs/dbraw/zinc/31/82/79/1023318279.db2.gz HZLBAGQYPNJPSG-ZDUSSCGKSA-N -1 1 366.402 2.996 20 30 FFEDMM C=C(C)Cn1c(-c2noc(=O)[n-]2)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001122551490 1023334130 /nfs/dbraw/zinc/33/41/30/1023334130.db2.gz PAYZJRFKTQLTCU-WFASDCNBSA-N -1 1 364.409 2.636 20 30 FFEDMM C=C(C)CN(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C[C@@H]1CCCO1 ZINC001122828958 1023500211 /nfs/dbraw/zinc/50/02/11/1023500211.db2.gz XZDQYKVQVRUQCU-AWEZNQCLSA-N -1 1 370.457 2.509 20 30 FFEDMM C#Cc1cccc(NC(=O)C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1 ZINC000756939441 1023772145 /nfs/dbraw/zinc/77/21/45/1023772145.db2.gz NFSDRVVNJZIKHU-UHFFFAOYSA-N -1 1 364.298 2.793 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC2(CCC2)C1 ZINC001121499448 1023812494 /nfs/dbraw/zinc/81/24/94/1023812494.db2.gz VLOOFXUQENDINX-UHFFFAOYSA-N -1 1 352.442 2.885 20 30 FFEDMM C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000757616038 1023837920 /nfs/dbraw/zinc/83/79/20/1023837920.db2.gz AZVTVERKHZMMFZ-OAHLLOKOSA-N -1 1 374.462 2.851 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CC1=CCSC1 ZINC001121574081 1023857499 /nfs/dbraw/zinc/85/74/99/1023857499.db2.gz NIHPZVGRTUUSKG-UHFFFAOYSA-N -1 1 363.874 2.995 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000837119011 1025586995 /nfs/dbraw/zinc/58/69/95/1025586995.db2.gz AYOZRNXQWVRMBL-DOMZBBRYSA-N -1 1 359.426 2.687 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NC(=NO)c2ccc(C)cn2)n1 ZINC001158496071 1027044376 /nfs/dbraw/zinc/04/43/76/1027044376.db2.gz NPMLCFZRBGLBTP-OMCISZLKSA-N -1 1 352.807 2.611 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)Nc3c[nH]c(=O)c(C(F)(F)F)c3)cc(=O)c2c1 ZINC001154552461 1028349072 /nfs/dbraw/zinc/34/90/72/1028349072.db2.gz AKOZXJUAQRCAOR-UHFFFAOYSA-N -1 1 374.278 2.771 20 30 FFEDMM Nc1cc([N+](=O)[O-])cnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155914507 1028973145 /nfs/dbraw/zinc/97/31/45/1028973145.db2.gz TWJFRYIACRIXFE-UHFFFAOYSA-N -1 1 357.248 2.719 20 30 FFEDMM CCOC(=O)c1nc([C@@H](C)Nc2cc(Br)ccc2C#N)n[n-]1 ZINC001163695458 1029027391 /nfs/dbraw/zinc/02/73/91/1029027391.db2.gz ASZJGODGEPAHQT-MRVPVSSYSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1nnc([C@@H](C)Nc2cc(Br)ccc2C#N)[n-]1 ZINC001163695458 1029027405 /nfs/dbraw/zinc/02/74/05/1029027405.db2.gz ASZJGODGEPAHQT-MRVPVSSYSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2cc(Br)ccc2C#N)n1 ZINC001163695458 1029027419 /nfs/dbraw/zinc/02/74/19/1029027419.db2.gz ASZJGODGEPAHQT-MRVPVSSYSA-N -1 1 364.203 2.789 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142512783 1030562876 /nfs/dbraw/zinc/56/28/76/1030562876.db2.gz KQYNOJFCWRJAOE-MRXNPFEDSA-N -1 1 364.396 2.584 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC001142675503 1030706680 /nfs/dbraw/zinc/70/66/80/1030706680.db2.gz PJLBNYAJHMKJED-UHFFFAOYSA-N -1 1 371.466 2.833 20 30 FFEDMM C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc3cccc(O)c3cc2[O-])C1 ZINC001149651484 1031561030 /nfs/dbraw/zinc/56/10/30/1031561030.db2.gz NKEZTFTVKOSAEX-CQSZACIVSA-N -1 1 370.405 2.768 20 30 FFEDMM CN(C)C(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830563099 1033678234 /nfs/dbraw/zinc/67/82/34/1033678234.db2.gz FECQQWMAHXTRIG-QGZVFWFLSA-N -1 1 352.394 2.567 20 30 FFEDMM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NC[C@H]2COCCN2)c1 ZINC001220431464 1034173276 /nfs/dbraw/zinc/17/32/76/1034173276.db2.gz HKLVNLMKAIHEQG-INIZCTEOSA-N -1 1 362.470 2.654 20 30 FFEDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C#N)c1cccc(F)c1 ZINC001226327963 1034631178 /nfs/dbraw/zinc/63/11/78/1034631178.db2.gz UWAKGTTXTXVVOE-GFCCVEGCSA-N -1 1 361.285 2.655 20 30 FFEDMM C=C1O[C@@H](C)C(=O)C1Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227307178 1035501020 /nfs/dbraw/zinc/50/10/20/1035501020.db2.gz SFWIDWMHABKNGO-QMMMGPOBSA-N -1 1 354.314 2.956 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3ccc([O-])c(C#N)c3C#N)[C@H]2C1 ZINC001227618892 1035639771 /nfs/dbraw/zinc/63/97/71/1035639771.db2.gz NYDKFHAYXGWXCB-YLVFBTJISA-N -1 1 355.394 2.770 20 30 FFEDMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)Oc1ccc([O-])c(C#N)c1C#N ZINC001227619710 1035642440 /nfs/dbraw/zinc/64/24/40/1035642440.db2.gz UKEVPVYCWQGEHJ-JSVGYJQLSA-N -1 1 372.421 2.837 20 30 FFEDMM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228140121 1035958486 /nfs/dbraw/zinc/95/84/86/1035958486.db2.gz GITQDBLUEMUHND-SNVBAGLBSA-N -1 1 369.255 2.569 20 30 FFEDMM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1cccc([O-])c1Cl ZINC001232785647 1036032747 /nfs/dbraw/zinc/03/27/47/1036032747.db2.gz GCTDSBAOVLPZGY-HNNXBMFYSA-N -1 1 362.861 2.959 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232971299 1036197706 /nfs/dbraw/zinc/19/77/06/1036197706.db2.gz AIDPDPQZLJQLQA-OAHLLOKOSA-N -1 1 364.396 2.584 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc([O-])c(F)c2F)[C@H](C#N)C1 ZINC001140888331 1036383017 /nfs/dbraw/zinc/38/30/17/1036383017.db2.gz OZKJWMQAFHBIRL-GFCCVEGCSA-N -1 1 353.369 2.615 20 30 FFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)c(O[C@@H]2CCCOC2=O)c1 ZINC001229208600 1036554132 /nfs/dbraw/zinc/55/41/32/1036554132.db2.gz PHKFECABYWYCRW-FNMPFJKNSA-N -1 1 368.341 2.798 20 30 FFEDMM Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000836770830 1036824326 /nfs/dbraw/zinc/82/43/26/1036824326.db2.gz HXRCFCJBYOGVQC-LBPRGKRZSA-N -1 1 368.359 2.789 20 30 FFEDMM CC(=O)c1cc(O)c([O-])cc1OC1CCN(c2ncccc2C#N)CC1 ZINC001234476713 1037053810 /nfs/dbraw/zinc/05/38/10/1037053810.db2.gz NVMAJSBJNZEZSW-UHFFFAOYSA-N -1 1 353.378 2.615 20 30 FFEDMM O=C1C=C[C@@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2c(O)cccc2O)O3)C1 ZINC001234720961 1037155021 /nfs/dbraw/zinc/15/50/21/1037155021.db2.gz LVJBMZBDNLCARH-XIKOKIGWSA-N -1 1 368.341 2.786 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CCOCC1 ZINC001251310609 1039063642 /nfs/dbraw/zinc/06/36/42/1039063642.db2.gz RYIKRZBWCHENQB-UHFFFAOYSA-N -1 1 369.657 2.998 20 30 FFEDMM COc1ccc(C(=O)[O-])cc1Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001210257970 1039451928 /nfs/dbraw/zinc/45/19/28/1039451928.db2.gz JCWWAHHTDICRTE-UHFFFAOYSA-N -1 1 366.421 2.760 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)c(OC)c1 ZINC001258959736 1039617716 /nfs/dbraw/zinc/61/77/16/1039617716.db2.gz LKYWCAQFXNQFCM-UHFFFAOYSA-N -1 1 354.334 2.654 20 30 FFEDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cc(C#N)ccc1F)C(=O)C2 ZINC001258985819 1039640448 /nfs/dbraw/zinc/64/04/48/1039640448.db2.gz IJFBPPPSVAZSAB-SJKOYZFVSA-N -1 1 350.415 2.834 20 30 FFEDMM CC1(C)NC(=O)Nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC001259125428 1039731322 /nfs/dbraw/zinc/73/13/22/1039731322.db2.gz BAQIETCBFRLLOQ-UHFFFAOYSA-N -1 1 356.407 2.729 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)[N-]c2cccnc2OC(F)(F)F)cc1 ZINC001260039093 1040369888 /nfs/dbraw/zinc/36/98/88/1040369888.db2.gz NJJKMFFOTUNQJE-UHFFFAOYSA-N -1 1 357.313 2.794 20 30 FFEDMM CC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260332343 1040541737 /nfs/dbraw/zinc/54/17/37/1040541737.db2.gz UWDBFGWKGYUHNB-LLVKDONJSA-N -1 1 353.188 2.698 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(F)c1Cl ZINC001260441478 1040593000 /nfs/dbraw/zinc/59/30/00/1040593000.db2.gz LCKKUEZMXQOAIA-UHFFFAOYSA-N -1 1 352.734 2.688 20 30 FFEDMM O=C(/C=C/[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC001261011948 1040931808 /nfs/dbraw/zinc/93/18/08/1040931808.db2.gz IJLLLJSIBULEEY-ONEGZZNKSA-N -1 1 365.226 2.768 20 30 FFEDMM N#Cc1nc(Cl)c([N-]S(=O)(=O)c2ccc3ccccc3c2)nc1C#N ZINC001250692007 1041304367 /nfs/dbraw/zinc/30/43/67/1041304367.db2.gz SPHNBMSJHMJPCD-UHFFFAOYSA-N -1 1 369.793 2.827 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](Oc2ccccc2)C1 ZINC001263322139 1042240263 /nfs/dbraw/zinc/24/02/63/1042240263.db2.gz FHGMDBULCJSFHS-OAHLLOKOSA-N -1 1 366.425 2.608 20 30 FFEDMM C=CC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)C(=O)OCC ZINC001328692967 1048422801 /nfs/dbraw/zinc/42/28/01/1048422801.db2.gz IRNPZVRZFBYZON-VIFPVBQESA-N -1 1 372.295 2.982 20 30 FFEDMM Cc1[nH]nc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1[O-] ZINC001292758122 1049387350 /nfs/dbraw/zinc/38/73/50/1049387350.db2.gz GTORFMPXDPYFPP-KRWDZBQOSA-N -1 1 362.389 2.997 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001342186543 1050777725 /nfs/dbraw/zinc/77/77/25/1050777725.db2.gz VRDADOLJEATXFV-HUUCEWRRSA-N -1 1 372.473 2.593 20 30 FFEDMM N#Cc1c(N)c(NC(=O)c2cc([O-])cc(Br)c2)ccc1F ZINC001301824714 1050996135 /nfs/dbraw/zinc/99/61/35/1050996135.db2.gz LFEAMYDGDGRHMR-UHFFFAOYSA-N -1 1 350.147 3.000 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCCC[C@@H]1CC1CCC1 ZINC001342700605 1051314849 /nfs/dbraw/zinc/31/48/49/1051314849.db2.gz URJLVWALKVKMKG-OAHLLOKOSA-N -1 1 356.478 2.507 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCCC[C@@H]1CC1CCC1 ZINC001342700605 1051314853 /nfs/dbraw/zinc/31/48/53/1051314853.db2.gz URJLVWALKVKMKG-OAHLLOKOSA-N -1 1 356.478 2.507 20 30 FFEDMM CC(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@](F)(C#N)C1 ZINC001342905460 1051514750 /nfs/dbraw/zinc/51/47/50/1051514750.db2.gz OGVSNHDCOKZNNF-MRXNPFEDSA-N -1 1 364.812 2.797 20 30 FFEDMM COC(=O)c1cc(NC(=O)c2cc(C)c(C#N)c(C)c2)c([O-])c(OC)c1 ZINC001304504258 1051626055 /nfs/dbraw/zinc/62/60/55/1051626055.db2.gz ARENBVRFMMDYFW-UHFFFAOYSA-N -1 1 354.362 2.928 20 30 FFEDMM C#C[C@@H](C)N(C)c1nnc(-c2cc(Cl)ncc2[O-])n1CCCOCC ZINC001344363487 1052734621 /nfs/dbraw/zinc/73/46/21/1052734621.db2.gz SRYNYXSHDGVYHM-GFCCVEGCSA-N -1 1 363.849 2.584 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(-c2ccc(F)cc2)o1 ZINC001337587399 1054870373 /nfs/dbraw/zinc/87/03/73/1054870373.db2.gz DNZGVUCWTQRQGE-UHFFFAOYSA-N -1 1 370.361 2.965 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2ccccc2C)C1 ZINC001351819520 1055017033 /nfs/dbraw/zinc/01/70/33/1055017033.db2.gz PXWKYBPLACDOCD-CQSZACIVSA-N -1 1 350.426 2.862 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CCOCC1 ZINC001350020312 1055585254 /nfs/dbraw/zinc/58/52/54/1055585254.db2.gz YSJYEPDRHKJLBM-UHFFFAOYSA-N -1 1 351.255 2.792 20 30 FFEDMM N#Cc1cc([N-]C(=O)c2coc3c2C(=O)NCCC3)c(Cl)c([N+](=O)[O-])c1 ZINC001519596299 1058867411 /nfs/dbraw/zinc/86/74/11/1058867411.db2.gz AMDLOPCEIJRCST-UHFFFAOYSA-N -1 1 374.740 2.641 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC001520541490 1059781334 /nfs/dbraw/zinc/78/13/34/1059781334.db2.gz OSSQLNQDHHSSQD-KZULUSFZSA-N -1 1 360.845 2.963 20 30 FFEDMM C=CCOc1ccccc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848342468 1059812255 /nfs/dbraw/zinc/81/22/55/1059812255.db2.gz QMKANHNKRGXGNG-TZMCWYRMSA-N -1 1 370.371 2.923 20 30 FFEDMM C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2[O-])n1C[C@@H]1CCOC1 ZINC001516205654 1059997695 /nfs/dbraw/zinc/99/76/95/1059997695.db2.gz ONTYQKQJGNUXHI-STQMWFEESA-N -1 1 360.845 2.799 20 30 FFEDMM C=CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)c1ccccc1 ZINC001475627573 1061173710 /nfs/dbraw/zinc/17/37/10/1061173710.db2.gz UPNQSVWEFUTSMA-AWEZNQCLSA-N -1 1 364.423 2.837 20 30 FFEDMM COc1cnc(C2(NC(=O)Nc3ccc(F)cc3C#N)CCCC2)[n-]c1=O ZINC001476233996 1061372402 /nfs/dbraw/zinc/37/24/02/1061372402.db2.gz YTIWCVRJUHOVDT-UHFFFAOYSA-N -1 1 371.372 2.793 20 30 FFEDMM C#CCC1([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CCCCC1 ZINC001464623204 1062724083 /nfs/dbraw/zinc/72/40/83/1062724083.db2.gz QTOKDRWATYSOHG-QFIPXVFZSA-N -1 1 354.497 2.704 20 30 FFEDMM N#Cc1nc(Nc2ccc(CCC(F)(F)F)cc2)cnc1-c1nnn[n-]1 ZINC001581880964 1079012753 /nfs/dbraw/zinc/01/27/53/1079012753.db2.gz BVOZYPFEMICAHW-UHFFFAOYSA-N -1 1 360.303 2.767 20 30 FFEDMM N#Cc1nc(Nc2ccc(CCC(F)(F)F)cc2)cnc1-c1nn[n-]n1 ZINC001581880964 1079012761 /nfs/dbraw/zinc/01/27/61/1079012761.db2.gz BVOZYPFEMICAHW-UHFFFAOYSA-N -1 1 360.303 2.767 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1Cc2cccc(C#N)c2C1 ZINC001583269176 1079185915 /nfs/dbraw/zinc/18/59/15/1079185915.db2.gz SAUOCLRMRWIPEY-UHFFFAOYSA-N -1 1 371.400 2.509 20 30 FFEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ncc4ccccc4c3[O-])C2)nc1 ZINC001569818553 1077168262 /nfs/dbraw/zinc/16/82/62/1077168262.db2.gz SXTLOUYKLKHCGO-OAHLLOKOSA-N -1 1 360.373 2.501 20 30 FFEDMM C=CCCC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001573084357 1077522453 /nfs/dbraw/zinc/52/24/53/1077522453.db2.gz WTXYZHQYQJGXQW-HUUCEWRRSA-N -1 1 357.454 2.691 20 30 FFEDMM C#CC[C@H](NC(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001588334408 1079989274 /nfs/dbraw/zinc/98/92/74/1079989274.db2.gz WSQLOVKICOANMV-LBPRGKRZSA-N -1 1 353.411 2.518 20 30 FFEDMM C#CC[C@H](NC(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001588334408 1079989277 /nfs/dbraw/zinc/98/92/77/1079989277.db2.gz WSQLOVKICOANMV-LBPRGKRZSA-N -1 1 353.411 2.518 20 30 FFEDMM C#CCOc1cccc([C@@H](C)OC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001588361593 1079993992 /nfs/dbraw/zinc/99/39/92/1079993992.db2.gz BXRXJBASRLADAI-GFCCVEGCSA-N -1 1 366.352 2.936 20 30 FFEDMM C#CCOc1cccc([C@@H](C)OC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001588361593 1079993996 /nfs/dbraw/zinc/99/39/96/1079993996.db2.gz BXRXJBASRLADAI-GFCCVEGCSA-N -1 1 366.352 2.936 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H](CC)C1 ZINC001588437703 1080026950 /nfs/dbraw/zinc/02/69/50/1080026950.db2.gz HBHIXEBAWKEPPQ-ZDUSSCGKSA-N -1 1 368.445 2.921 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H](CC)C1 ZINC001588437703 1080026960 /nfs/dbraw/zinc/02/69/60/1080026960.db2.gz HBHIXEBAWKEPPQ-ZDUSSCGKSA-N -1 1 368.445 2.921 20 30 FFEDMM C=CC(C)(C)CC(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001588484606 1080048943 /nfs/dbraw/zinc/04/89/43/1080048943.db2.gz IXVHINHHQDKWNA-UHFFFAOYSA-N -1 1 370.457 2.670 20 30 FFEDMM C=CC[C@@H]1N(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCCC1(C)C ZINC001588564918 1080099704 /nfs/dbraw/zinc/09/97/04/1080099704.db2.gz URBOIYWXULSVNL-LBPRGKRZSA-N -1 1 361.475 2.600 20 30 FFEDMM C=CC[C@@H]1N(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCCC1(C)C ZINC001588564918 1080099713 /nfs/dbraw/zinc/09/97/13/1080099713.db2.gz URBOIYWXULSVNL-LBPRGKRZSA-N -1 1 361.475 2.600 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001588781279 1080193651 /nfs/dbraw/zinc/19/36/51/1080193651.db2.gz QTJLJXQEJKJJKM-UHFFFAOYSA-N -1 1 370.373 2.897 20 30 FFEDMM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1cc(F)cc(C#N)c1 ZINC001589052727 1080327400 /nfs/dbraw/zinc/32/74/00/1080327400.db2.gz NFHDOSONKKHBNK-UHFFFAOYSA-N -1 1 370.413 2.533 20 30 FFEDMM CC(C)(C)Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C#N ZINC001589203234 1080415449 /nfs/dbraw/zinc/41/54/49/1080415449.db2.gz MCBGABHNPRURMF-UHFFFAOYSA-N -1 1 352.354 2.761 20 30 FFEDMM CC(=O)c1[nH]c(CC(=O)C(C#N)c2nc3ccccc3o2)c(C(=O)[O-])c1C ZINC001589233534 1080436479 /nfs/dbraw/zinc/43/64/79/1080436479.db2.gz IBLAQTQSKLSHLO-LLVKDONJSA-N -1 1 365.345 2.784 20 30 FFEDMM C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589444242 1080537020 /nfs/dbraw/zinc/53/70/20/1080537020.db2.gz GZIICKIZAFCSIP-YCRPNKLZSA-N -1 1 363.417 2.614 20 30 FFEDMM C[C@H](Cc1ccccc1C(F)(F)F)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589899743 1080848046 /nfs/dbraw/zinc/84/80/46/1080848046.db2.gz PMIVCYYVGXFPFB-SECBINFHSA-N -1 1 374.330 2.590 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000045867824 205126572 /nfs/dbraw/zinc/12/65/72/205126572.db2.gz VABSFQWARXIIKW-UHFFFAOYSA-N -1 1 355.419 2.595 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)cc2C[C@H]1C ZINC000102862304 250123902 /nfs/dbraw/zinc/12/39/02/250123902.db2.gz QBAUPJFXLUYACT-LLVKDONJSA-N -1 1 373.409 2.796 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000288278077 257169341 /nfs/dbraw/zinc/16/93/41/257169341.db2.gz IKXVNLFIDWBVBE-HNNXBMFYSA-N -1 1 360.439 2.635 20 30 FFEDMM N#Cc1cc2c(nc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)CCCC2 ZINC000290685552 257352663 /nfs/dbraw/zinc/35/26/63/257352663.db2.gz LUIHSQMIYFKOKV-LBPRGKRZSA-N -1 1 366.387 2.727 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)cc1[O-] ZINC000410036650 512189007 /nfs/dbraw/zinc/18/90/07/512189007.db2.gz DCLHECLSGWZZOW-UHFFFAOYSA-N -1 1 371.824 2.684 20 30 FFEDMM Cc1csc(C(C#N)=C([O-])c2ccc(CN3C(=O)CCC3=O)cc2)n1 ZINC000041518947 506527462 /nfs/dbraw/zinc/52/74/62/506527462.db2.gz PAXHSEAWJMCNDH-CQSZACIVSA-N -1 1 353.403 2.591 20 30 FFEDMM N#Cc1ccccc1OCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315419 506724983 /nfs/dbraw/zinc/72/49/83/506724983.db2.gz UWPDIBFXEINIIF-UHFFFAOYSA-N -1 1 364.401 2.764 20 30 FFEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000056411449 507007309 /nfs/dbraw/zinc/00/73/09/507007309.db2.gz GBNAXAFGRHAWJG-CQSZACIVSA-N -1 1 372.450 2.504 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1Cl ZINC000071092120 507694241 /nfs/dbraw/zinc/69/42/41/507694241.db2.gz BXJUITQRRVJHMU-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000063147444 507695622 /nfs/dbraw/zinc/69/56/22/507695622.db2.gz LWILRZIQXHMGMS-UHFFFAOYSA-N -1 1 357.435 2.841 20 30 FFEDMM Cc1nc(-c2ccc(NCCOc3ccc(C#N)cc3)nc2)[n-]c(=O)c1C ZINC000078403793 507868718 /nfs/dbraw/zinc/86/87/18/507868718.db2.gz NSEMJYIIQOPAIO-UHFFFAOYSA-N -1 1 361.405 2.811 20 30 FFEDMM CCN(CC)C(=O)N1CCC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000076355600 508191654 /nfs/dbraw/zinc/19/16/54/508191654.db2.gz NJNVCDSZVHPVIJ-UHFFFAOYSA-N -1 1 362.356 2.585 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CC#N)cc2)c1C ZINC000101515760 508241780 /nfs/dbraw/zinc/24/17/80/508241780.db2.gz LXPLYVXDRDTGRF-UHFFFAOYSA-N -1 1 357.435 2.700 20 30 FFEDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc21 ZINC000114673918 508335496 /nfs/dbraw/zinc/33/54/96/508335496.db2.gz RRZNYEOBDLJUHZ-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM Cc1csc(NC(=O)[C@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)n1 ZINC000121956410 508456153 /nfs/dbraw/zinc/45/61/53/508456153.db2.gz QMZGVZDGUYEJDV-SECBINFHSA-N -1 1 359.436 2.612 20 30 FFEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000122307960 508515519 /nfs/dbraw/zinc/51/55/19/508515519.db2.gz YJQPZMBLTMKSEB-INIZCTEOSA-N -1 1 372.450 2.550 20 30 FFEDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2F)c1 ZINC000128012641 508535235 /nfs/dbraw/zinc/53/52/35/508535235.db2.gz VBJIZADXKKJLMA-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)[nH]1 ZINC000157942018 508636457 /nfs/dbraw/zinc/63/64/57/508636457.db2.gz WWNZDRUECHTQAX-UHFFFAOYSA-N -1 1 366.402 2.939 20 30 FFEDMM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3c([O-])cccc3F)C2)c(F)c1 ZINC000123904516 508755670 /nfs/dbraw/zinc/75/56/70/508755670.db2.gz INCXQQIHQSCBLT-CYBMUJFWSA-N -1 1 357.360 2.941 20 30 FFEDMM N#CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000119704051 508847120 /nfs/dbraw/zinc/84/71/20/508847120.db2.gz UZKXLFIYHRCEEX-UHFFFAOYSA-N -1 1 351.334 2.618 20 30 FFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000120540340 509017458 /nfs/dbraw/zinc/01/74/58/509017458.db2.gz CWDRBOJKQMFUDD-UHFFFAOYSA-N -1 1 357.269 2.685 20 30 FFEDMM N#C[C@@H](C(=O)Nc1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155669026 509048738 /nfs/dbraw/zinc/04/87/38/509048738.db2.gz OJWRGVLZKQHFHK-GFCCVEGCSA-N -1 1 365.418 2.504 20 30 FFEDMM C=C[C@](C)(CC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000189033030 509379376 /nfs/dbraw/zinc/37/93/76/509379376.db2.gz VLADDNFVWGXNKM-QGZVFWFLSA-N -1 1 352.456 2.718 20 30 FFEDMM CCOC(=O)[C@@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000189170180 509447229 /nfs/dbraw/zinc/44/72/29/509447229.db2.gz VNZUVTAQQVLETN-FQEVSTJZSA-N -1 1 352.390 2.515 20 30 FFEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC000173353403 509548725 /nfs/dbraw/zinc/54/87/25/509548725.db2.gz XBEWHAIGWYDQQV-HNNXBMFYSA-N -1 1 352.387 2.519 20 30 FFEDMM CN1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000249110089 509608902 /nfs/dbraw/zinc/60/89/02/509608902.db2.gz RDLDRQREUHLIRB-SJLPKXTDSA-N -1 1 357.360 2.717 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1[O-] ZINC000189871652 509801406 /nfs/dbraw/zinc/80/14/06/509801406.db2.gz YYUWQAFLAFJJIT-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000174041095 509920090 /nfs/dbraw/zinc/92/00/90/509920090.db2.gz KOIJAJOYLGUENB-VIFPVBQESA-N -1 1 368.846 2.932 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1[O-] ZINC000190108178 509941744 /nfs/dbraw/zinc/94/17/44/509941744.db2.gz LVXSRKZGCAGIDU-UHFFFAOYSA-N -1 1 355.438 2.519 20 30 FFEDMM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000184039755 510100914 /nfs/dbraw/zinc/10/09/14/510100914.db2.gz DQKOSLCNZPSKHJ-CYBMUJFWSA-N -1 1 358.419 2.711 20 30 FFEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000194142004 510234724 /nfs/dbraw/zinc/23/47/24/510234724.db2.gz BPZHMFFVHGVPLG-UHFFFAOYSA-N -1 1 355.419 2.828 20 30 FFEDMM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190819413 510358576 /nfs/dbraw/zinc/35/85/76/510358576.db2.gz WDSPWARMGRFRKG-ZCFIWIBFSA-N -1 1 355.616 2.680 20 30 FFEDMM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1F ZINC000191001442 510460535 /nfs/dbraw/zinc/46/05/35/510460535.db2.gz KOXDGAXZQHDWHP-UHFFFAOYSA-N -1 1 350.353 2.827 20 30 FFEDMM COc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000187835497 510460686 /nfs/dbraw/zinc/46/06/86/510460686.db2.gz WCLAXWQBCHJXIC-AWEZNQCLSA-N -1 1 351.406 2.529 20 30 FFEDMM C[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000194744990 510507193 /nfs/dbraw/zinc/50/71/93/510507193.db2.gz HQCGQPYBYIETEI-GFCCVEGCSA-N -1 1 361.398 2.658 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000175705649 510744810 /nfs/dbraw/zinc/74/48/10/510744810.db2.gz ZHBNHKVQEDJWIU-ZDUSSCGKSA-N -1 1 368.418 2.572 20 30 FFEDMM N#Cc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1[O-] ZINC000188577144 510831632 /nfs/dbraw/zinc/83/16/32/510831632.db2.gz YGWZLKROYBGBCQ-UHFFFAOYSA-N -1 1 350.353 2.561 20 30 FFEDMM COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)n2)c1 ZINC000188597242 510838527 /nfs/dbraw/zinc/83/85/27/510838527.db2.gz QBORGOALNASQOM-NSHDSACASA-N -1 1 364.361 2.813 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000293878160 510884521 /nfs/dbraw/zinc/88/45/21/510884521.db2.gz LVPVFKFSAZZXFF-HBCWJJAPSA-N -1 1 365.355 2.629 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000277562897 510965586 /nfs/dbraw/zinc/96/55/86/510965586.db2.gz PPURCMDWNVSCEN-INIZCTEOSA-N -1 1 365.437 2.636 20 30 FFEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000288569971 511080380 /nfs/dbraw/zinc/08/03/80/511080380.db2.gz KQEVLUYJZWEWRD-LLVKDONJSA-N -1 1 367.265 2.512 20 30 FFEDMM N#Cc1ccccc1N1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000281034006 511697189 /nfs/dbraw/zinc/69/71/89/511697189.db2.gz VOSGLDOCLFQEIO-UHFFFAOYSA-N -1 1 357.360 2.895 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c(Cl)c1 ZINC000371636570 512502499 /nfs/dbraw/zinc/50/24/99/512502499.db2.gz XWRQEFMBOCOGJR-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2)n[nH]1 ZINC000435732218 513670988 /nfs/dbraw/zinc/67/09/88/513670988.db2.gz PBUXVRTWNRSUEW-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1NC(C)=O ZINC000435750341 513676485 /nfs/dbraw/zinc/67/64/85/513676485.db2.gz XRAYPRMOVIPING-UHFFFAOYSA-N -1 1 359.407 2.635 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)ccc1C#N ZINC000435758880 513679356 /nfs/dbraw/zinc/67/93/56/513679356.db2.gz HWLMRNKERPUUJX-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442820022 513787809 /nfs/dbraw/zinc/78/78/09/513787809.db2.gz AQEWVPCVUPFUKY-UHFFFAOYSA-N -1 1 367.405 2.763 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)cc1Br ZINC000451558252 513832958 /nfs/dbraw/zinc/83/29/58/513832958.db2.gz ZAVDCNUOLAVNJJ-BDAKNGLRSA-N -1 1 365.199 2.629 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1[O-] ZINC000443122482 513879441 /nfs/dbraw/zinc/87/94/41/513879441.db2.gz GYRVWDGVPFASKA-LBPRGKRZSA-N -1 1 373.771 2.592 20 30 FFEDMM COc1cc(OC)cc(OCCCN(C)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000443319565 513934943 /nfs/dbraw/zinc/93/49/43/513934943.db2.gz JBSNOGJOMSHPHJ-UHFFFAOYSA-N -1 1 370.405 2.822 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C)c1 ZINC000427100667 514116316 /nfs/dbraw/zinc/11/63/16/514116316.db2.gz NLIWWDFTCICVJN-UHFFFAOYSA-N -1 1 364.398 2.832 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n(-c2ccncc2)n1 ZINC000437317429 514140170 /nfs/dbraw/zinc/14/01/70/514140170.db2.gz SYVBWECNHLYKFE-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427284344 514172162 /nfs/dbraw/zinc/17/21/62/514172162.db2.gz LMSMMYYKWRDWJA-UHFFFAOYSA-N -1 1 364.398 2.648 20 30 FFEDMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2)c1C ZINC000461190543 514535167 /nfs/dbraw/zinc/53/51/67/514535167.db2.gz WCMWBAISRZZVSJ-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2)no1 ZINC000475803529 514816928 /nfs/dbraw/zinc/81/69/28/514816928.db2.gz KFVVVSVBPSTXLP-UHFFFAOYSA-N -1 1 354.391 2.912 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc(-n2cccn2)c1 ZINC000475831356 514827006 /nfs/dbraw/zinc/82/70/06/514827006.db2.gz ITMUFBXTPHCMPC-UHFFFAOYSA-N -1 1 368.418 2.862 20 30 FFEDMM N#C[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000509093708 515020581 /nfs/dbraw/zinc/02/05/81/515020581.db2.gz JGAWXXPVVBCPDY-DJJJIMSYSA-N -1 1 353.809 2.891 20 30 FFEDMM CCC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nn[n-]n1 ZINC000467638382 515068055 /nfs/dbraw/zinc/06/80/55/515068055.db2.gz DVGHWNGSIOZDBU-OAHLLOKOSA-N -1 1 363.381 2.530 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(Cc3ccccc3CO)CC2)cc1[O-] ZINC000490407519 515199888 /nfs/dbraw/zinc/19/98/88/515199888.db2.gz KLXNFUIIMJCDIV-UHFFFAOYSA-N -1 1 350.418 2.851 20 30 FFEDMM COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000486536738 515528937 /nfs/dbraw/zinc/52/89/37/515528937.db2.gz XIBFPSBZKDXQKB-UHFFFAOYSA-N -1 1 356.812 2.861 20 30 FFEDMM COc1ccc(NC(=O)[C@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)cn1 ZINC000505475058 515546396 /nfs/dbraw/zinc/54/63/96/515546396.db2.gz XNCSGMVYOJRFEN-LLVKDONJSA-N -1 1 369.406 2.663 20 30 FFEDMM Cn1c2cc(-c3cccc(C([O-])=C(C#N)c4ccncn4)c3)cnc2[nH]c1=O ZINC000487454854 515866551 /nfs/dbraw/zinc/86/65/51/515866551.db2.gz MEYKHDDQYMNTGU-HNNXBMFYSA-N -1 1 370.372 2.621 20 30 FFEDMM O=S(=O)([N-]CCOC(F)(F)F)c1cc(C(F)(F)F)ccc1F ZINC000474394059 516028466 /nfs/dbraw/zinc/02/84/66/516028466.db2.gz SHAHDYNHJPDUDG-UHFFFAOYSA-N -1 1 355.231 2.659 20 30 FFEDMM COc1cc(CNC(=O)c2ccc(Br)c([O-])c2)ccc1C#N ZINC000460607052 516200696 /nfs/dbraw/zinc/20/06/96/516200696.db2.gz NVNHPSWDAGWSFA-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC(F)F)o1 ZINC000557817681 516454768 /nfs/dbraw/zinc/45/47/68/516454768.db2.gz POSYUJMJKSWERE-UHFFFAOYSA-N -1 1 362.741 2.885 20 30 FFEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2)CC1 ZINC000540647140 516652942 /nfs/dbraw/zinc/65/29/42/516652942.db2.gz GBHWLISVSJCBAZ-UHFFFAOYSA-N -1 1 356.403 2.564 20 30 FFEDMM Cc1cc(F)ccc1N(Cc1nc(=O)n(C)[n-]1)Cc1ccc(C#N)cc1 ZINC000544394430 516739513 /nfs/dbraw/zinc/73/95/13/516739513.db2.gz BFGIQKWAPZSSLL-UHFFFAOYSA-N -1 1 351.385 2.634 20 30 FFEDMM N#CC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000562469186 517128138 /nfs/dbraw/zinc/12/81/38/517128138.db2.gz YPPBPUVODJZKJE-UHFFFAOYSA-N -1 1 373.409 2.660 20 30 FFEDMM CC(C)c1cc([N-]S(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000519797082 517185189 /nfs/dbraw/zinc/18/51/89/517185189.db2.gz YNHLYCBKRNKARQ-UHFFFAOYSA-N -1 1 369.244 2.968 20 30 FFEDMM N#CC(=C([O-])c1ccnc(NC(=O)C2CC2)c1)c1cnc2ccccc2n1 ZINC000552360746 517220369 /nfs/dbraw/zinc/22/03/69/517220369.db2.gz PTDHSTDIJLBVNU-CQSZACIVSA-N -1 1 357.373 2.863 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000533598818 517543431 /nfs/dbraw/zinc/54/34/31/517543431.db2.gz BFWZNZAURKJPND-CYBMUJFWSA-N -1 1 365.437 2.636 20 30 FFEDMM CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(C#N)o2)c2ccccc2)CC1 ZINC000553799473 517912254 /nfs/dbraw/zinc/91/22/54/517912254.db2.gz XQLBSVGRZBGNIB-SFHVURJKSA-N -1 1 373.478 2.903 20 30 FFEDMM C=CCN(C(=O)c1cncc([O-])c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000560666633 517961967 /nfs/dbraw/zinc/96/19/67/517961967.db2.gz ONMJTQHMPMGRAD-GOSISDBHSA-N -1 1 354.406 2.590 20 30 FFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000547414623 518127222 /nfs/dbraw/zinc/12/72/22/518127222.db2.gz GYCOWGSEOWRMHA-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)cc2[nH]ccc21 ZINC000575899049 518335643 /nfs/dbraw/zinc/33/56/43/518335643.db2.gz QHTKKVSCZXDFNQ-UHFFFAOYSA-N -1 1 369.402 2.821 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000578955820 518451240 /nfs/dbraw/zinc/45/12/40/518451240.db2.gz BGAQSEAGIYMTLC-RQJHMYQMSA-N -1 1 372.693 2.786 20 30 FFEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)cc2)CC1 ZINC000582363618 518717608 /nfs/dbraw/zinc/71/76/08/518717608.db2.gz CVEWZTIPYVOAIY-UHFFFAOYSA-N -1 1 374.393 2.703 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC000589170219 518939034 /nfs/dbraw/zinc/93/90/34/518939034.db2.gz VGYQBGXZYQPJAU-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cc([O-])cc(C#N)c3)ccc2NC1=O ZINC000589188699 518946182 /nfs/dbraw/zinc/94/61/82/518946182.db2.gz HKLGCWAEWFPPAH-APPDUMDISA-N -1 1 365.389 2.864 20 30 FFEDMM C=CCc1ccccc1OC[C@@H](O)CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000565600143 519037561 /nfs/dbraw/zinc/03/75/61/519037561.db2.gz KMAXPRFZEVVOJT-FQEVSTJZSA-N -1 1 367.445 2.911 20 30 FFEDMM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000589965629 519114886 /nfs/dbraw/zinc/11/48/86/519114886.db2.gz VHGXXABJTGHXIO-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM CC(C)C[C@@H](C#N)NC(=O)c1cc(I)ccc1[O-] ZINC000616314249 519976917 /nfs/dbraw/zinc/97/69/17/519976917.db2.gz JNJMRQVUWMSYTD-JTQLQIEISA-N -1 1 358.179 2.665 20 30 FFEDMM COC(=O)[C@@]1([N-]S(=O)(=O)CC2(C#N)CCCCC2)CC[C@@H](C)CC1 ZINC000594831154 520176363 /nfs/dbraw/zinc/17/63/63/520176363.db2.gz FXGLBRCMXANWQC-CZIWCDLHSA-N -1 1 356.488 2.502 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](C)C#N)c2)c1 ZINC000609524881 520342534 /nfs/dbraw/zinc/34/25/34/520342534.db2.gz KNTATFYXLQEANF-CQSZACIVSA-N -1 1 357.435 2.685 20 30 FFEDMM C=CCCSCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000597972736 520357729 /nfs/dbraw/zinc/35/77/29/520357729.db2.gz PSEQCFGVKMZQKE-UHFFFAOYSA-N -1 1 372.494 2.911 20 30 FFEDMM Cc1ccc(-n2cnc3c2CCN(C(=O)c2cc([O-])cc(C#N)c2)C3)cc1 ZINC000617165829 520362968 /nfs/dbraw/zinc/36/29/68/520362968.db2.gz GARJNUTYLWRSQV-UHFFFAOYSA-N -1 1 358.401 2.957 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1Cl ZINC000603974024 520419205 /nfs/dbraw/zinc/41/92/05/520419205.db2.gz XZUNVTCZCZABNE-UHFFFAOYSA-N -1 1 350.787 2.503 20 30 FFEDMM C[C@@]1(C#N)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000598405126 520601255 /nfs/dbraw/zinc/60/12/55/520601255.db2.gz IKOBLIWWFKWFMR-IBGZPJMESA-N -1 1 369.446 2.863 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1 ZINC000617636323 520615853 /nfs/dbraw/zinc/61/58/53/520615853.db2.gz KJRUMXQKGZBXFZ-PZJWPPBQSA-N -1 1 368.408 2.907 20 30 FFEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cc1 ZINC000593276840 520875899 /nfs/dbraw/zinc/87/58/99/520875899.db2.gz XHVFSKAJZXMRPI-UHFFFAOYSA-N -1 1 374.466 2.906 20 30 FFEDMM CCOc1cc2c(cc1CNC(=O)c1cc([O-])cc(C#N)c1)O[C@H](C)C2 ZINC000614292998 520894808 /nfs/dbraw/zinc/89/48/08/520894808.db2.gz MHNVRXMLUKUYEE-GFCCVEGCSA-N -1 1 352.390 2.916 20 30 FFEDMM Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614296657 520894995 /nfs/dbraw/zinc/89/49/95/520894995.db2.gz LDWYFCPGCMJUMU-UHFFFAOYSA-N -1 1 363.417 2.607 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000614297991 520897415 /nfs/dbraw/zinc/89/74/15/520897415.db2.gz IQXGPDRGFNMOQB-UHFFFAOYSA-N -1 1 370.453 2.500 20 30 FFEDMM N#Cc1ccc(C2(NCc3cc([O-])ccc3[N+](=O)[O-])CCOCC2)cc1 ZINC000599002272 520972752 /nfs/dbraw/zinc/97/27/52/520972752.db2.gz GNIMWGTZIJTKGH-UHFFFAOYSA-N -1 1 353.378 2.968 20 30 FFEDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccs1 ZINC000593595427 521096940 /nfs/dbraw/zinc/09/69/40/521096940.db2.gz FEZWUQBLECYJSF-ZDUSSCGKSA-N -1 1 356.494 2.719 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000607613854 521406529 /nfs/dbraw/zinc/40/65/29/521406529.db2.gz DFHPIRKLWYNZPX-UHFFFAOYSA-N -1 1 367.430 2.951 20 30 FFEDMM CCOC(=O)[C@@](C)(CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000615894789 521572682 /nfs/dbraw/zinc/57/26/82/521572682.db2.gz WAPCIGRXQNIFGB-FQEVSTJZSA-N -1 1 352.390 2.515 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc(OC)c1OC ZINC000619461230 521579087 /nfs/dbraw/zinc/57/90/87/521579087.db2.gz ZNENQVIKXMNEKU-UHFFFAOYSA-N -1 1 362.407 2.579 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1[O-] ZINC000628734473 521756139 /nfs/dbraw/zinc/75/61/39/521756139.db2.gz KPRDCPNLACATAD-OAQYLSRUSA-N -1 1 362.385 2.904 20 30 FFEDMM C=CCNC(=S)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735432837 598827426 /nfs/dbraw/zinc/82/74/26/598827426.db2.gz WOTIZYDUJIZORR-UHFFFAOYSA-N -1 1 356.480 2.745 20 30 FFEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000737674807 599031419 /nfs/dbraw/zinc/03/14/19/599031419.db2.gz LQIHLPCOJKNCID-ZDUSSCGKSA-N -1 1 374.191 2.563 20 30 FFEDMM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000737674807 599031421 /nfs/dbraw/zinc/03/14/21/599031421.db2.gz LQIHLPCOJKNCID-ZDUSSCGKSA-N -1 1 374.191 2.563 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(F)c(F)c(F)c2)o1 ZINC000735940463 598536845 /nfs/dbraw/zinc/53/68/45/598536845.db2.gz ZVQXMBHSKXDKBO-UHFFFAOYSA-N -1 1 351.292 2.841 20 30 FFEDMM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1ccc(C(F)(F)F)cn1 ZINC000738922083 600004028 /nfs/dbraw/zinc/00/40/28/600004028.db2.gz FLKUZSKFTUGGPN-UHFFFAOYSA-N -1 1 355.320 2.834 20 30 FFEDMM COc1ccc(-c2nc(SC/C=C(\C)C(=O)[O-])[nH]c(=O)c2C#N)cc1 ZINC000832130056 600728089 /nfs/dbraw/zinc/72/80/89/600728089.db2.gz VSDKJMHVGOTMCA-JXMROGBWSA-N -1 1 357.391 2.852 20 30 FFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000736090267 600900660 /nfs/dbraw/zinc/90/06/60/600900660.db2.gz YBYXRORNXBCGGB-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ncccc1C=NNc1ccc(C(=O)[O-])cn1 ZINC000763367721 604667483 /nfs/dbraw/zinc/66/74/83/604667483.db2.gz GGWIVZNLLYFUFD-UHFFFAOYSA-N -1 1 357.370 2.968 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000833515906 604964848 /nfs/dbraw/zinc/96/48/48/604964848.db2.gz PCJBFKJLUWSNKS-ZIAGYGMSSA-N -1 1 361.467 2.958 20 30 FFEDMM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833536356 605058643 /nfs/dbraw/zinc/05/86/43/605058643.db2.gz BADFSAZDWISQHT-JTQLQIEISA-N -1 1 350.334 2.539 20 30 FFEDMM Cc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822254220 606368964 /nfs/dbraw/zinc/36/89/64/606368964.db2.gz DTQUDSJIKAMVQX-UHFFFAOYSA-N -1 1 357.468 2.866 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000822923228 606389682 /nfs/dbraw/zinc/38/96/82/606389682.db2.gz OREKAKHLRMGEQL-CLFYSBASSA-N -1 1 365.418 2.951 20 30 FFEDMM O=c1c(-c2nn[n-]n2)cn(CC#Cc2ccc(Cl)cc2)c2ccccc12 ZINC000823657504 606638272 /nfs/dbraw/zinc/63/82/72/606638272.db2.gz QGYHHRUPWBBRMA-UHFFFAOYSA-N -1 1 361.792 2.887 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]nc2-c2ccccc2)o1 ZINC000824353161 607886473 /nfs/dbraw/zinc/88/64/73/607886473.db2.gz ZCWGQNBUXPAAOX-UHFFFAOYSA-N -1 1 363.385 2.814 20 30 FFEDMM CCN(C(C)=O)c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000825390687 608093443 /nfs/dbraw/zinc/09/34/43/608093443.db2.gz KILVPMVSVIPRHH-SNAWJCMRSA-N -1 1 374.451 2.654 20 30 FFEDMM CCN(C(C)=O)c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000825390687 608093444 /nfs/dbraw/zinc/09/34/44/608093444.db2.gz KILVPMVSVIPRHH-SNAWJCMRSA-N -1 1 374.451 2.654 20 30 FFEDMM C#Cc1cccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823862133 608094069 /nfs/dbraw/zinc/09/40/69/608094069.db2.gz XZIOVJCCYNICSK-UHFFFAOYSA-N -1 1 367.463 2.620 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000824280195 609303636 /nfs/dbraw/zinc/30/36/36/609303636.db2.gz GIFHPPRDEPMRDR-UHFFFAOYSA-N -1 1 374.336 2.547 20 30 FFEDMM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000823973943 609405794 /nfs/dbraw/zinc/40/57/94/609405794.db2.gz MSCFKBKAXADAQN-MDWZMJQESA-N -1 1 365.418 2.557 20 30 FFEDMM CCOC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1C#N ZINC000825553003 609490774 /nfs/dbraw/zinc/49/07/74/609490774.db2.gz HMRPMESXZYCSQK-UHFFFAOYSA-N -1 1 369.410 2.980 20 30 FFEDMM C[C@H]1CCCN(c2nc([O-])c(CC(=O)Nc3ccc(C#N)cc3)s2)C1 ZINC000077397508 728274828 /nfs/dbraw/zinc/27/48/28/728274828.db2.gz QDXJLBIILGCJHR-SWLSCSKDSA-N -1 1 356.451 2.617 20 30 FFEDMM N#Cc1ccc(CNC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c(F)c1 ZINC000105601153 728507294 /nfs/dbraw/zinc/50/72/94/728507294.db2.gz BLWSLQSEYHGEFA-UHFFFAOYSA-N -1 1 373.438 2.996 20 30 FFEDMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CCCCC1 ZINC000109325438 728526372 /nfs/dbraw/zinc/52/63/72/728526372.db2.gz CGMQMXFZVOVMPX-UHFFFAOYSA-N -1 1 366.483 2.765 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1F ZINC000179027022 729176145 /nfs/dbraw/zinc/17/61/45/729176145.db2.gz PSNHWTYJHHHSGG-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000185288258 729345989 /nfs/dbraw/zinc/34/59/89/729345989.db2.gz PEBKDVYXGJABJN-HNNXBMFYSA-N -1 1 356.447 2.856 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(F)ccc2Br)c(=O)o1 ZINC000255355931 729637476 /nfs/dbraw/zinc/63/74/76/729637476.db2.gz KRWKQHNTTOYSIJ-FWWGQDLDSA-N -1 1 353.143 2.816 20 30 FFEDMM COCCN(C)N=C(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863112002 730750631 /nfs/dbraw/zinc/75/06/31/730750631.db2.gz MHYOFTUBPWYQQA-UHFFFAOYSA-N -1 1 361.467 2.790 20 30 FFEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(I)cc1[O-] ZINC000864904955 730889961 /nfs/dbraw/zinc/88/99/61/730889961.db2.gz RRVPHHFZGFDQCH-SECBINFHSA-N -1 1 358.179 2.619 20 30 FFEDMM Cn1ncc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c1C(F)(F)F ZINC000866996904 731129628 /nfs/dbraw/zinc/12/96/28/731129628.db2.gz FFVFPFRVDNDKLC-LBPRGKRZSA-N -1 1 372.372 2.762 20 30 FFEDMM COCCn1ncc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000870379433 731506504 /nfs/dbraw/zinc/50/65/04/731506504.db2.gz SYGCLVYTAVXABF-GFCCVEGCSA-N -1 1 352.316 2.742 20 30 FFEDMM CC[C@H](C#N)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315355 731618519 /nfs/dbraw/zinc/61/85/19/731618519.db2.gz BPJZEBKQKXCHCL-VXGBXAGGSA-N -1 1 353.344 2.735 20 30 FFEDMM O=C(Nc1nnn[n-]1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000668867520 733174252 /nfs/dbraw/zinc/17/42/52/733174252.db2.gz RJKRJZKQTKYXFN-UHFFFAOYSA-N -1 1 357.189 2.741 20 30 FFEDMM O=C(Nc1nn[n-]n1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000668867520 733174257 /nfs/dbraw/zinc/17/42/57/733174257.db2.gz RJKRJZKQTKYXFN-UHFFFAOYSA-N -1 1 357.189 2.741 20 30 FFEDMM C[S@](=O)(=NS(=O)(=O)[N-]Cc1ccc(CC#N)cc1)C1CCCCC1 ZINC000882301795 733205756 /nfs/dbraw/zinc/20/57/56/733205756.db2.gz XLFCCKJSSBAHGE-HSZRJFAPSA-N -1 1 369.512 2.518 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000882709672 733275908 /nfs/dbraw/zinc/27/59/08/733275908.db2.gz PQKPXOGSMYUCLR-JOCHJYFZSA-N -1 1 355.485 2.954 20 30 FFEDMM Cc1cc(C#N)cc([N-]S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)c1 ZINC000882737439 733283712 /nfs/dbraw/zinc/28/37/12/733283712.db2.gz LKEGJNXQUOYECY-QFIPXVFZSA-N -1 1 355.485 2.954 20 30 FFEDMM N#C[C@@H](C(=O)C[C@@H]1CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000740527855 735077389 /nfs/dbraw/zinc/07/73/89/735077389.db2.gz LPHHQMBSDWJWNE-JQWIXIFHSA-N -1 1 357.435 2.879 20 30 FFEDMM CC(C)(C)C1N=NC(=S)N1N=Cc1ncc(Br)cc1[O-] ZINC000901139005 735748994 /nfs/dbraw/zinc/74/89/94/735748994.db2.gz MGYJNWAWQIALBX-UHFFFAOYSA-N -1 1 356.249 2.610 20 30 FFEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c1 ZINC000901771848 735836640 /nfs/dbraw/zinc/83/66/40/735836640.db2.gz NEHYZWRNCXZFAJ-NSHDSACASA-N -1 1 356.753 2.609 20 30 FFEDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccn1 ZINC000751117267 735847014 /nfs/dbraw/zinc/84/70/14/735847014.db2.gz RDTZHDBWQWTWFT-MRXNPFEDSA-N -1 1 360.395 2.537 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2sc(Cl)nc2Cl)c2ccccc21 ZINC000755640964 736267634 /nfs/dbraw/zinc/26/76/34/736267634.db2.gz ULDOVXWFRQFZHE-UHFFFAOYSA-N -1 1 361.235 2.523 20 30 FFEDMM CN(C)C[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000905495098 736346689 /nfs/dbraw/zinc/34/66/89/736346689.db2.gz HFNBQYICNNDHDZ-CYBMUJFWSA-N -1 1 360.202 2.501 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])[C@@H](C#N)C1 ZINC000756890122 736370549 /nfs/dbraw/zinc/37/05/49/736370549.db2.gz HRTHUDXQFNWGCY-GWCFXTLKSA-N -1 1 365.817 2.534 20 30 FFEDMM CC(C)CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000760259531 736625561 /nfs/dbraw/zinc/62/55/61/736625561.db2.gz IPZTVFAAUNUDOE-UHFFFAOYSA-N -1 1 362.411 2.719 20 30 FFEDMM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000907952221 736694406 /nfs/dbraw/zinc/69/44/06/736694406.db2.gz IPPIVRRQEQAVGX-UHFFFAOYSA-N -1 1 353.831 2.976 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC(C(F)(F)F)CC1 ZINC000766025128 737184441 /nfs/dbraw/zinc/18/44/41/737184441.db2.gz MKDQRWFQJLMWQJ-UHFFFAOYSA-N -1 1 365.333 2.982 20 30 FFEDMM Cc1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c(C)n1CC(C)C ZINC000914599431 737585981 /nfs/dbraw/zinc/58/59/81/737585981.db2.gz BVTBFGNDBDSCOZ-UHFFFAOYSA-N -1 1 358.467 2.834 20 30 FFEDMM CC(=Nn1cnnc1)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000916581128 737712738 /nfs/dbraw/zinc/71/27/38/737712738.db2.gz LDGJOAZMOYYVQO-UHFFFAOYSA-N -1 1 355.423 2.660 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000775295082 738080976 /nfs/dbraw/zinc/08/09/76/738080976.db2.gz AZDFWIRURNILPQ-UHFFFAOYSA-N -1 1 359.403 2.814 20 30 FFEDMM COc1ccc2c(c1)C(=NN=C1[N-]S(=O)(=O)c3ccccc31)CCS2 ZINC000786038193 739019739 /nfs/dbraw/zinc/01/97/39/739019739.db2.gz NKVFGJLITWXVQY-UHFFFAOYSA-N -1 1 373.459 2.634 20 30 FFEDMM COC(=O)c1c[n-]c(SCc2c(C#N)c(C)nn2-c2ccccc2)n1 ZINC000788509234 739252443 /nfs/dbraw/zinc/25/24/43/739252443.db2.gz ODTISDFRMMIXEK-UHFFFAOYSA-N -1 1 353.407 2.854 20 30 FFEDMM C=C(CO)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000791297302 739545167 /nfs/dbraw/zinc/54/51/67/739545167.db2.gz RLENHCHLSFOOAE-UHFFFAOYSA-N -1 1 360.435 2.591 20 30 FFEDMM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000796098642 740101108 /nfs/dbraw/zinc/10/11/08/740101108.db2.gz XDAMWSUPTMXHDR-AWEZNQCLSA-N -1 1 362.382 2.647 20 30 FFEDMM CCOC(=O)C1(C([O-])=C(C#N)c2nc(C(C)C)cs2)CCOCC1 ZINC000797092930 740211467 /nfs/dbraw/zinc/21/14/67/740211467.db2.gz AOLVAJLGMDJOMW-LBPRGKRZSA-N -1 1 350.440 2.803 20 30 FFEDMM CC(C)(C)OC(=O)NC(=CNN=c1ncc(F)c[n-]1)CC(F)(F)F ZINC000814889117 741872652 /nfs/dbraw/zinc/87/26/52/741872652.db2.gz ZXTQCGUNKIMLCB-SECBINFHSA-N -1 1 351.304 2.859 20 30 FFEDMM N#CCSCCCN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817292000 742118738 /nfs/dbraw/zinc/11/87/38/742118738.db2.gz GMCFLSOOOGYNFD-ZDUSSCGKSA-N -1 1 357.401 2.743 20 30 FFEDMM C=CCn1cc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])nn1 ZINC000818347716 742265660 /nfs/dbraw/zinc/26/56/60/742265660.db2.gz UFYIAZFYBQDLRS-SECBINFHSA-N -1 1 355.211 2.922 20 30 FFEDMM C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([N-]C(=O)C(F)F)C1 ZINC001008714828 742397584 /nfs/dbraw/zinc/39/75/84/742397584.db2.gz GMDHUFFGXKKZAA-HTQZYQBOSA-N -1 1 362.726 2.536 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C ZINC000831374429 745521669 /nfs/dbraw/zinc/52/16/69/745521669.db2.gz FGZJMFLVMAAKTL-VIFPVBQESA-N -1 1 351.211 2.838 20 30 FFEDMM CN(C)C[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000844527312 748047323 /nfs/dbraw/zinc/04/73/23/748047323.db2.gz ONFZUUOTZFGVJW-ZDUSSCGKSA-N -1 1 360.202 2.501 20 30 FFEDMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CCC1 ZINC000848502387 748942663 /nfs/dbraw/zinc/94/26/63/748942663.db2.gz LXOJKDSWGBZEPQ-UHFFFAOYSA-N -1 1 364.858 2.611 20 30 FFEDMM C=CCOCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000849458774 749163395 /nfs/dbraw/zinc/16/33/95/749163395.db2.gz KJQPIAYUUHZTEL-UHFFFAOYSA-N -1 1 369.226 2.773 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@@H]2Cc2ccccn2)c2ccccc21 ZINC000853289127 750044331 /nfs/dbraw/zinc/04/43/31/750044331.db2.gz KMJCYZJZMCTQND-CYBMUJFWSA-N -1 1 354.435 2.519 20 30 FFEDMM CNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c1 ZINC000067006398 845488581 /nfs/dbraw/zinc/48/85/81/845488581.db2.gz OZGKBGRZNHRAFT-FNORWQNLSA-N -1 1 351.811 2.850 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573306824 947175382 /nfs/dbraw/zinc/17/53/82/947175382.db2.gz NJSPKAOEOYOTDQ-BZNIZROVSA-N -1 1 363.491 2.541 20 30 FFEDMM CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001593757252 954467719 /nfs/dbraw/zinc/46/77/19/954467719.db2.gz XDPDFPZVGOTOSV-XLIONFOSSA-N -1 1 357.454 2.504 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1noc(-c2ccccc2)n1 ZINC000126589458 964984039 /nfs/dbraw/zinc/98/40/39/964984039.db2.gz SQYDUEZCKHMFDV-LLVKDONJSA-N -1 1 372.381 2.787 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Cl)C(=O)OCC ZINC001211880796 970495406 /nfs/dbraw/zinc/49/54/06/970495406.db2.gz BVMAXBUDFCNEQN-CQSZACIVSA-N -1 1 363.838 2.796 20 30 FFEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000653150882 1014237973 /nfs/dbraw/zinc/23/79/73/1014237973.db2.gz GLVMZIVFDJHHIW-MSOLQXFVSA-N -1 1 358.438 2.730 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908924124 981576296 /nfs/dbraw/zinc/57/62/96/981576296.db2.gz CRLGCJXXNSAKHS-JKSUJKDBSA-N -1 1 363.458 2.834 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](O)[C@H]2CCc2ccccc2)c1 ZINC000912176587 983972476 /nfs/dbraw/zinc/97/24/76/983972476.db2.gz FXYCVKGZYYYKJN-UXHICEINSA-N -1 1 350.418 2.862 20 30 FFEDMM N#Cc1ccc(CC(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000651187387 1015031632 /nfs/dbraw/zinc/03/16/32/1015031632.db2.gz BIJVHDJPNIFLMP-UHFFFAOYSA-N -1 1 369.446 2.840 20 30 FFEDMM C#CCCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000761076352 984762503 /nfs/dbraw/zinc/76/25/03/984762503.db2.gz UQBVLQWTXZFKIY-UHFFFAOYSA-N -1 1 373.430 2.985 20 30 FFEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3cnccn3)n2)c1 ZINC000172667811 985635114 /nfs/dbraw/zinc/63/51/14/985635114.db2.gz BRTLKXYIHLWMMU-CYBMUJFWSA-N -1 1 363.402 2.870 20 30 FFEDMM Cc1nn(C)c(C)c1C(=NN=c1[n-]c(-c2ccncc2)no1)C(F)(F)F ZINC000733901060 988369943 /nfs/dbraw/zinc/36/99/43/988369943.db2.gz ARRLRYQRKRBPRE-UHFFFAOYSA-N -1 1 365.319 2.860 20 30 FFEDMM Cc1nn(C)c(C)c1C(=NN=c1nc(-c2ccncc2)[n-]o1)C(F)(F)F ZINC000733901060 988369951 /nfs/dbraw/zinc/36/99/51/988369951.db2.gz ARRLRYQRKRBPRE-UHFFFAOYSA-N -1 1 365.319 2.860 20 30 FFEDMM COCC#CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000762784993 988625793 /nfs/dbraw/zinc/62/57/93/988625793.db2.gz RNCXLSOBRXONFB-UHFFFAOYSA-N -1 1 373.430 2.602 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnn(-c2ccccc2)n1 ZINC000916908800 990031018 /nfs/dbraw/zinc/03/10/18/990031018.db2.gz IZXGTELEOUOKRN-ZDUSSCGKSA-N -1 1 365.780 2.882 20 30 FFEDMM N#Cc1ccccc1N1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000809643540 994563492 /nfs/dbraw/zinc/56/34/92/994563492.db2.gz IPOXXFLOMXKWRB-UHFFFAOYSA-N -1 1 357.360 2.941 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809646546 994565708 /nfs/dbraw/zinc/56/57/08/994565708.db2.gz CVQBVVAIWRBNGJ-ZDUSSCGKSA-N -1 1 359.426 2.641 20 30 FFEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000809688778 994581930 /nfs/dbraw/zinc/58/19/30/994581930.db2.gz PKMSPGNJKMJLJH-BLLLJJGKSA-N -1 1 359.426 2.639 20 30 FFEDMM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1 ZINC000747606853 994800506 /nfs/dbraw/zinc/80/05/06/994800506.db2.gz XVXJTGIYLNIZRY-JXMROGBWSA-N -1 1 372.402 2.576 20 30 FFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000812758512 995529392 /nfs/dbraw/zinc/52/93/92/995529392.db2.gz DDZGJPUAVRRJRI-ZDUSSCGKSA-N -1 1 364.405 2.675 20 30 FFEDMM N#Cc1cc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)ccc1Cl ZINC001136819683 996785849 /nfs/dbraw/zinc/78/58/49/996785849.db2.gz ZPYOFTAEYUVBAI-UHFFFAOYSA-N -1 1 354.757 2.556 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000731545504 998017332 /nfs/dbraw/zinc/01/73/32/998017332.db2.gz AKICLRDLPXBWHT-OAHLLOKOSA-N -1 1 357.297 2.704 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000769644389 1000556818 /nfs/dbraw/zinc/55/68/18/1000556818.db2.gz HNSPBFRPPSZCJB-CQSZACIVSA-N -1 1 372.446 2.590 20 30 FFEDMM N#CC1(Nc2cccc(S(=O)(=O)[O-])c2)CCN(Cc2ccccc2)CC1 ZINC001171277015 1000671140 /nfs/dbraw/zinc/67/11/40/1000671140.db2.gz HTKVEIOGSRAPSH-UHFFFAOYSA-N -1 1 371.462 2.904 20 30 FFEDMM CC(C)(CCC#N)c1ccc(C(=O)NCCCC[P@](=O)([O-])O)cc1 ZINC001148908026 1001233056 /nfs/dbraw/zinc/23/30/56/1001233056.db2.gz DDFWZXFTYQMPIN-UHFFFAOYSA-N -1 1 352.371 2.956 20 30 FFEDMM CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(C#N)c([O-])c2)C1=O ZINC000785873033 1001493750 /nfs/dbraw/zinc/49/37/50/1001493750.db2.gz SOYNCCVIKXHOSP-LJQANCHMSA-N -1 1 372.425 2.580 20 30 FFEDMM COc1ccc([C@H]2C[C@@H]2C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000788991033 1001932207 /nfs/dbraw/zinc/93/22/07/1001932207.db2.gz DVQVBFOETDGGLX-IAGOWNOFSA-N -1 1 369.446 2.913 20 30 FFEDMM C[C@H](C(=O)N([O-])C(=N)c1nonc1N)c1cccc(Oc2ccccc2)c1 ZINC001182737246 1002034203 /nfs/dbraw/zinc/03/42/03/1002034203.db2.gz QKRSSJUFERJNBN-NSHDSACASA-N -1 1 367.365 2.791 20 30 FFEDMM C=CC[N-]S(=O)(=O)c1cc(Br)c(Br)s1 ZINC001184619581 1002663629 /nfs/dbraw/zinc/66/36/29/1002663629.db2.gz KGSNBFXDBQYZFC-UHFFFAOYSA-N -1 1 361.080 2.737 20 30 FFEDMM CCn1cc(NCC(=O)c2ccc([O-])c(O)c2)c2sc(C#N)cc2c1=O ZINC001170320785 1003108864 /nfs/dbraw/zinc/10/88/64/1003108864.db2.gz NMSWIQAXUGYPEZ-UHFFFAOYSA-N -1 1 369.402 2.661 20 30 FFEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186743577 1003405450 /nfs/dbraw/zinc/40/54/50/1003405450.db2.gz OCZDXYGVIJRTLE-ZETCQYMHSA-N -1 1 353.188 2.698 20 30 FFEDMM CSc1ncc(C(=O)Nc2ccc(C#N)cc2OC(F)(F)F)c(=O)[n-]1 ZINC001191436222 1003825518 /nfs/dbraw/zinc/82/55/18/1003825518.db2.gz BDIHTAYRLFPTHS-UHFFFAOYSA-N -1 1 370.312 2.927 20 30 FFEDMM C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1F ZINC001192085495 1004042778 /nfs/dbraw/zinc/04/27/78/1004042778.db2.gz PPUZBGFARQYMRJ-QFYYESIMSA-N -1 1 368.817 2.751 20 30 FFEDMM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1F ZINC001197036219 1004057549 /nfs/dbraw/zinc/05/75/49/1004057549.db2.gz HBHXCQACDWRSDQ-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)c(F)n1 ZINC001197279168 1004161130 /nfs/dbraw/zinc/16/11/30/1004161130.db2.gz MOPYJKYOSBAHQL-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cncnc2Cl)ccc1Br ZINC001197279313 1004161269 /nfs/dbraw/zinc/16/12/69/1004161269.db2.gz TWCUKBMDPHENRG-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM CCOC(=O)c1nc(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)c[n-]1 ZINC001197387571 1004187260 /nfs/dbraw/zinc/18/72/60/1004187260.db2.gz LWAVUHOQADLVDL-UHFFFAOYSA-N -1 1 350.334 2.970 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccnc1-2 ZINC000806486253 1004344605 /nfs/dbraw/zinc/34/46/05/1004344605.db2.gz ONOOYYNXRBGBTM-CRAIPNDOSA-N -1 1 360.421 2.645 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1I ZINC001193150618 1004390563 /nfs/dbraw/zinc/39/05/63/1004390563.db2.gz IASMZVBEPINJHI-ZCFIWIBFSA-N -1 1 370.599 2.598 20 30 FFEDMM Cc1ccnc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)[C@@H](C)C#N)c2)c1 ZINC001193150627 1004390483 /nfs/dbraw/zinc/39/04/83/1004390483.db2.gz ZIDREFNWBNFDHX-ZDUSSCGKSA-N -1 1 358.423 2.605 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)nc(F)c2Cl)c1 ZINC001193644430 1004534383 /nfs/dbraw/zinc/53/43/83/1004534383.db2.gz GPWJYYPYBWUMAD-UHFFFAOYSA-N -1 1 359.741 2.694 20 30 FFEDMM C[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807705483 1004656502 /nfs/dbraw/zinc/65/65/02/1004656502.db2.gz JKCNHAJWXUSEHM-HUBLWGQQSA-N -1 1 367.371 2.670 20 30 FFEDMM C=CS(=O)(=O)[N-]c1c(Br)cc(Br)cc1C#N ZINC001198609934 1004679193 /nfs/dbraw/zinc/67/91/93/1004679193.db2.gz DQZMMPJEMYLQQD-UHFFFAOYSA-N -1 1 366.034 2.968 20 30 FFEDMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1F ZINC001198701530 1004701620 /nfs/dbraw/zinc/70/16/20/1004701620.db2.gz DCLJWZIYMRHFFN-UHFFFAOYSA-N -1 1 359.741 2.694 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1ccc(C(F)(F)F)c(Cl)n1 ZINC001194406586 1004724190 /nfs/dbraw/zinc/72/41/90/1004724190.db2.gz STJKVHDXBRWUAB-UHFFFAOYSA-N -1 1 373.678 2.689 20 30 FFEDMM N#Cc1ccc(O[C@H]2CCCN(C(=O)c3cc([O-])cnc3Cl)C2)cc1 ZINC001195308235 1004938258 /nfs/dbraw/zinc/93/82/58/1004938258.db2.gz AAPCTOXZQRAUEZ-HNNXBMFYSA-N -1 1 357.797 2.996 20 30 FFEDMM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195455868 1004963857 /nfs/dbraw/zinc/96/38/57/1004963857.db2.gz PEIWMMHDGBYPRG-ZCFIWIBFSA-N -1 1 355.616 2.822 20 30 FFEDMM COC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201322312 1005200164 /nfs/dbraw/zinc/20/01/64/1005200164.db2.gz IOGWCABASVTJNK-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CNC(=O)C3(C)C)cc1C#N ZINC001201323865 1005200174 /nfs/dbraw/zinc/20/01/74/1005200174.db2.gz OZAYJDUILMZFOO-UHFFFAOYSA-N -1 1 369.446 2.575 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000776347139 1005383090 /nfs/dbraw/zinc/38/30/90/1005383090.db2.gz XEPXNNWITCDJJP-IBGZPJMESA-N -1 1 354.381 2.989 20 30 FFEDMM N#Cc1sccc1N1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000852342125 1005984861 /nfs/dbraw/zinc/98/48/61/1005984861.db2.gz GYMWORXWXMOYGG-UHFFFAOYSA-N -1 1 367.430 2.754 20 30 FFEDMM N#Cc1c(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC001187589946 1006145029 /nfs/dbraw/zinc/14/50/29/1006145029.db2.gz VJQWQDQFQCFXMZ-UHFFFAOYSA-N -1 1 372.736 2.989 20 30 FFEDMM COCc1ccccc1/C=C(/C)C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000814217461 1006208882 /nfs/dbraw/zinc/20/88/82/1006208882.db2.gz IFOOJQAIBUXSAH-KYUMQKFESA-N -1 1 369.446 2.961 20 30 FFEDMM COc1ccc(C(CCC(C)C)=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000814843397 1006448414 /nfs/dbraw/zinc/44/84/14/1006448414.db2.gz UUNIUTAOTXKFSN-UHFFFAOYSA-N -1 1 354.414 2.693 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc([O-])cc(C#N)c3)CC[C@H]21 ZINC000817000304 1007314831 /nfs/dbraw/zinc/31/48/31/1007314831.db2.gz LFNKQJKVOFFMGH-RHSMWYFYSA-N -1 1 371.437 2.735 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(F)cc1F ZINC001190647746 1007733775 /nfs/dbraw/zinc/73/37/75/1007733775.db2.gz JIPWXCFBSGIPFN-UHFFFAOYSA-N -1 1 370.308 2.563 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1cc([O-])cc(C#N)c1)C2 ZINC000857415429 1008140588 /nfs/dbraw/zinc/14/05/88/1008140588.db2.gz GRXVKGOKRDSVEQ-FOIQADDNSA-N -1 1 371.437 2.783 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1 ZINC000886130807 1008578294 /nfs/dbraw/zinc/57/82/94/1008578294.db2.gz LKEFMWBRDYLMEH-GOSISDBHSA-N -1 1 364.401 2.755 20 30 FFEDMM CS(=O)(=O)c1ccc(-n2ncc(C#N)c2Nc2cc([O-])cc(F)c2)cc1 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30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCS[C@H](CC)C1 ZINC001355900831 1060709709 /nfs/dbraw/zinc/70/97/09/1060709709.db2.gz OWSXANPOTBZKJZ-CYBMUJFWSA-N -1 1 372.498 2.836 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCS[C@@H](CC)C1 ZINC001355900833 1060709860 /nfs/dbraw/zinc/70/98/60/1060709860.db2.gz OWSXANPOTBZKJZ-ZDUSSCGKSA-N -1 1 372.498 2.836 20 30 FFEDMM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1Cl)c1ccccc1F ZINC001475456203 1061098195 /nfs/dbraw/zinc/09/81/95/1061098195.db2.gz BGOVXWFYDVAPSI-QLJPJBMISA-N -1 1 368.817 2.751 20 30 FFEDMM CC(C)(C)c1nc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)co1 ZINC001361015790 1062071464 /nfs/dbraw/zinc/07/14/64/1062071464.db2.gz OSEGEVJUVXZTAD-UHFFFAOYSA-N -1 1 350.382 2.736 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)OC ZINC001464254670 1062508019 /nfs/dbraw/zinc/50/80/19/1062508019.db2.gz JBBDWYNWTQRORT-CQSZACIVSA-N -1 1 371.842 2.501 20 30 FFEDMM C=CCCONC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001470616191 1064381137 /nfs/dbraw/zinc/38/11/37/1064381137.db2.gz LOYFSWKNSZMMGJ-UHFFFAOYSA-N -1 1 364.398 2.864 20 30 FFEDMM N#Cc1cccc(-c2nc([N-]C(=O)c3coc(-c4cccnc4)n3)n[nH]2)c1 ZINC001472635904 1065119497 /nfs/dbraw/zinc/11/94/97/1065119497.db2.gz QQZMQKWJKZDMSZ-UHFFFAOYSA-N -1 1 357.333 2.646 20 30 FFEDMM CC[C@H](C)Oc1cc(C)ccc1CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001576685248 1078259949 /nfs/dbraw/zinc/25/99/49/1078259949.db2.gz RYINFFNSWSIMDS-LBPRGKRZSA-N -1 1 364.413 2.626 20 30 FFEDMM N#Cc1ncc(N[C@@H]2CCCOc3cc(Cl)ccc32)nc1-c1nn[n-]n1 ZINC001581883153 1079011999 /nfs/dbraw/zinc/01/19/99/1079011999.db2.gz PTIYMSCHULTHGU-LLVKDONJSA-N -1 1 368.788 2.508 20 30 FFEDMM C=CCONC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001569147587 1077132292 /nfs/dbraw/zinc/13/22/92/1077132292.db2.gz DGRLCKYXONCIHB-UHFFFAOYSA-N -1 1 366.826 2.988 20 30 FFEDMM C=CCONC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC001569148036 1077132644 /nfs/dbraw/zinc/13/26/44/1077132644.db2.gz WUKREHNWJWHJPC-UHFFFAOYSA-N -1 1 360.435 2.952 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1C ZINC001574369463 1077970268 /nfs/dbraw/zinc/97/02/68/1077970268.db2.gz WWUYAWCCGBDSDX-SJORKVTESA-N -1 1 357.454 2.735 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H](CC)C1 ZINC001588437702 1080026981 /nfs/dbraw/zinc/02/69/81/1080026981.db2.gz HBHIXEBAWKEPPQ-CYBMUJFWSA-N -1 1 368.445 2.921 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H](CC)C1 ZINC001588437702 1080026989 /nfs/dbraw/zinc/02/69/89/1080026989.db2.gz HBHIXEBAWKEPPQ-CYBMUJFWSA-N -1 1 368.445 2.921 20 30 FFEDMM C#CCNC(=O)C1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001588479406 1080044686 /nfs/dbraw/zinc/04/46/86/1080044686.db2.gz MQPQJESKZIQQMM-HNNXBMFYSA-N -1 1 369.248 2.581 20 30 FFEDMM C=C[C@H](CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001588518340 1080069528 /nfs/dbraw/zinc/06/95/28/1080069528.db2.gz APNZRXNJTRKOPP-CQSZACIVSA-N -1 1 360.421 2.901 20 30 FFEDMM C=C[C@H](CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001588518340 1080069534 /nfs/dbraw/zinc/06/95/34/1080069534.db2.gz APNZRXNJTRKOPP-CQSZACIVSA-N -1 1 360.421 2.901 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(C)C1CCCCC1 ZINC001588704605 1080162318 /nfs/dbraw/zinc/16/23/18/1080162318.db2.gz NIYOLGRHVVFZBF-UHFFFAOYSA-N -1 1 354.418 2.673 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(C)C1CCCCC1 ZINC001588704605 1080162323 /nfs/dbraw/zinc/16/23/23/1080162323.db2.gz NIYOLGRHVVFZBF-UHFFFAOYSA-N -1 1 354.418 2.673 20 30 FFEDMM C=CCn1ncc2ccc(NC(=O)c3ccsc3-c3nnn[n-]3)cc21 ZINC001588716844 1080167658 /nfs/dbraw/zinc/16/76/58/1080167658.db2.gz NQGWUGCFUAUECI-UHFFFAOYSA-N -1 1 351.395 2.716 20 30 FFEDMM C=CCn1ncc2ccc(NC(=O)c3ccsc3-c3nn[n-]n3)cc21 ZINC001588716844 1080167665 /nfs/dbraw/zinc/16/76/65/1080167665.db2.gz NQGWUGCFUAUECI-UHFFFAOYSA-N -1 1 351.395 2.716 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cc(F)ccc1O ZINC001588781336 1080193335 /nfs/dbraw/zinc/19/33/35/1080193335.db2.gz VDQKUAAFSOMUCB-UHFFFAOYSA-N -1 1 359.365 2.833 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2nc3c(s2)CCCC3)o1 ZINC001589238434 1080440258 /nfs/dbraw/zinc/44/02/58/1080440258.db2.gz WRNAHGLEGSZJFU-UHFFFAOYSA-N -1 1 372.458 2.934 20 30 FFEDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C ZINC000410344542 512242647 /nfs/dbraw/zinc/24/26/47/512242647.db2.gz XVTGACWEBHCQEU-UHFFFAOYSA-N -1 1 358.345 2.972 20 30 FFEDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3)ccc21 ZINC000007323346 506553009 /nfs/dbraw/zinc/55/30/09/506553009.db2.gz OPBJNQGUNYTHNS-UHFFFAOYSA-N -1 1 355.419 2.658 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)ccc1Cl ZINC000055580799 506786430 /nfs/dbraw/zinc/78/64/30/506786430.db2.gz RABAWLFZKRZMMH-UHFFFAOYSA-N -1 1 350.787 2.503 20 30 FFEDMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc2CC1=O ZINC000012969967 506919804 /nfs/dbraw/zinc/91/98/04/506919804.db2.gz LYKJBWJPVWAPGJ-UHFFFAOYSA-N -1 1 361.810 2.531 20 30 FFEDMM CCSc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000020675214 507231709 /nfs/dbraw/zinc/23/17/09/507231709.db2.gz LGVXYKAMNPRIJC-UHFFFAOYSA-N -1 1 368.396 2.966 20 30 FFEDMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)cc2CC1=O ZINC000026547636 507597662 /nfs/dbraw/zinc/59/76/62/507597662.db2.gz KBXNBOUIJUQUPV-UHFFFAOYSA-N -1 1 369.446 2.807 20 30 FFEDMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)CCO1 ZINC000062553697 507674176 /nfs/dbraw/zinc/67/41/76/507674176.db2.gz LWGOBMGSLGKXDY-CQSZACIVSA-N -1 1 357.435 2.584 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)c1 ZINC000030530834 507809944 /nfs/dbraw/zinc/80/99/44/507809944.db2.gz YWADZMIJLRYBHL-UHFFFAOYSA-N -1 1 355.419 2.595 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1C(=O)NC(C)C ZINC000108762072 507916942 /nfs/dbraw/zinc/91/69/42/507916942.db2.gz RXSMFDUMJFXLKP-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(CC#N)C2CC2)cc1 ZINC000081589130 508193852 /nfs/dbraw/zinc/19/38/52/508193852.db2.gz RCRWTVMFBQXMAL-UHFFFAOYSA-N -1 1 357.439 2.521 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000114674076 508335739 /nfs/dbraw/zinc/33/57/39/508335739.db2.gz KQLDIZIXSVMEJK-UHFFFAOYSA-N -1 1 355.419 2.942 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)ccc1F ZINC000105590498 508377029 /nfs/dbraw/zinc/37/70/29/508377029.db2.gz WVOJYFNCNAWOGW-UHFFFAOYSA-N -1 1 371.397 2.575 20 30 FFEDMM CCN(CCC#N)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000133615450 508424859 /nfs/dbraw/zinc/42/48/59/508424859.db2.gz XFQDWERCBFIHSN-SFHVURJKSA-N -1 1 365.433 2.912 20 30 FFEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000116801554 508564175 /nfs/dbraw/zinc/56/41/75/508564175.db2.gz MDJBQPHPKNWOAP-SJCJKPOMSA-N -1 1 367.471 2.559 20 30 FFEDMM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C ZINC000157608793 508587387 /nfs/dbraw/zinc/58/73/87/508587387.db2.gz QOGSBYFJNLXEGQ-MRXNPFEDSA-N -1 1 374.422 2.846 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cn1 ZINC000118435324 508650673 /nfs/dbraw/zinc/65/06/73/508650673.db2.gz ZSFGHNFTJSBJOY-ZDUSSCGKSA-N -1 1 359.304 2.674 20 30 FFEDMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000150785147 508892481 /nfs/dbraw/zinc/89/24/81/508892481.db2.gz SAJMZMAPSOUBTO-UHFFFAOYSA-N -1 1 364.810 2.728 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000159875685 508904224 /nfs/dbraw/zinc/90/42/24/508904224.db2.gz RFRONEWAZUCXCY-UHFFFAOYSA-N -1 1 363.421 2.515 20 30 FFEDMM COc1ccccc1-c1nc([N-]C(=O)c2c(F)cc(C#N)cc2F)n[nH]1 ZINC000125606063 509006193 /nfs/dbraw/zinc/00/61/93/509006193.db2.gz BTRUKFKIOQYJBT-UHFFFAOYSA-N -1 1 355.304 2.882 20 30 FFEDMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1c(C)nn(C)c1C ZINC000125752693 509025306 /nfs/dbraw/zinc/02/53/06/509025306.db2.gz ZFLULPDGJUUBBX-AWEZNQCLSA-N -1 1 368.409 2.616 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)c1 ZINC000121209764 509150579 /nfs/dbraw/zinc/15/05/79/509150579.db2.gz CHYSTXAOEZGVLZ-UHFFFAOYSA-N -1 1 371.418 2.853 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc1[O-] ZINC000188728043 509233906 /nfs/dbraw/zinc/23/39/06/509233906.db2.gz CGRZSPKTPPGURX-UHFFFAOYSA-N -1 1 363.348 2.865 20 30 FFEDMM Cn1cc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(F)cc2)cn1 ZINC000189222260 509469817 /nfs/dbraw/zinc/46/98/17/509469817.db2.gz OWEDDZYJWYVVSI-SFHVURJKSA-N -1 1 350.353 2.656 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1[O-] ZINC000189877752 509804504 /nfs/dbraw/zinc/80/45/04/509804504.db2.gz YZTJAUJHGIEPND-UHFFFAOYSA-N -1 1 361.854 2.937 20 30 FFEDMM N#CC(=C([O-])c1cccc(C(=O)N2CCCC2)n1)c1nc2ccccc2[nH]1 ZINC000173904897 509845147 /nfs/dbraw/zinc/84/51/47/509845147.db2.gz WKCMDSNPINHXTE-ZDUSSCGKSA-N -1 1 359.389 2.684 20 30 FFEDMM COc1ccc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2nccn2C)cc1 ZINC000190008253 509882431 /nfs/dbraw/zinc/88/24/31/509882431.db2.gz IAMXFYRJGGGJSV-GOSISDBHSA-N -1 1 362.389 2.525 20 30 FFEDMM COC(=O)c1coc(S(=O)(=O)[N-]C2(C#N)CCC(C(C)(C)C)CC2)c1 ZINC000184234691 510208835 /nfs/dbraw/zinc/20/88/35/510208835.db2.gz BUJPVNSVWYLGMG-UHFFFAOYSA-N -1 1 368.455 2.843 20 30 FFEDMM C=CCC[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccccc1 ZINC000187494087 510300148 /nfs/dbraw/zinc/30/01/48/510300148.db2.gz JNWCMQAXJBVVKR-OAHLLOKOSA-N -1 1 360.435 2.728 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000177990481 510363373 /nfs/dbraw/zinc/36/33/73/510363373.db2.gz ZWOBCTNJIWHETN-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H](C)C#N)c2)c1 ZINC000171845790 510404518 /nfs/dbraw/zinc/40/45/18/510404518.db2.gz KNIJPWVHDMDHHT-AWEZNQCLSA-N -1 1 371.462 2.994 20 30 FFEDMM N#Cc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)nc1 ZINC000194564893 510426221 /nfs/dbraw/zinc/42/62/21/510426221.db2.gz GEGUCEAZFHMBTE-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000194725214 510495314 /nfs/dbraw/zinc/49/53/14/510495314.db2.gz OBBYGXPWKSRUQN-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(C)o1 ZINC000175348931 510603668 /nfs/dbraw/zinc/60/36/68/510603668.db2.gz GEZWNNZMORMBFH-CQSZACIVSA-N -1 1 354.815 2.779 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccnc(N3CCCCCC3)c2)cc1[O-] ZINC000188324515 510709434 /nfs/dbraw/zinc/70/94/34/510709434.db2.gz FRCPIKXHAFZJJC-UHFFFAOYSA-N -1 1 350.422 2.969 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CN2CCCC2=O)cc1 ZINC000172590491 510809828 /nfs/dbraw/zinc/80/98/28/510809828.db2.gz NOOMEJURXJDMGE-UHFFFAOYSA-N -1 1 369.446 2.790 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1C(=O)N(C)C ZINC000172592394 510810926 /nfs/dbraw/zinc/81/09/26/510810926.db2.gz IAEXDMTZNXRANO-UHFFFAOYSA-N -1 1 357.435 2.678 20 30 FFEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OCC#N)c(OC)c2)[n-]c1=O ZINC000276175851 510929435 /nfs/dbraw/zinc/92/94/35/510929435.db2.gz IHBQIQBPPFMMBT-FMIVXFBMSA-N -1 1 369.377 2.830 20 30 FFEDMM C[C@H](C#N)CN(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271252311 511137499 /nfs/dbraw/zinc/13/74/99/511137499.db2.gz KUUMRDOFJKKOBE-SECBINFHSA-N -1 1 359.304 2.735 20 30 FFEDMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1CCCCS1 ZINC000329328949 512027313 /nfs/dbraw/zinc/02/73/13/512027313.db2.gz KTMGHOYJBFWZET-CQSZACIVSA-N -1 1 356.469 2.707 20 30 FFEDMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2C1 ZINC000370273110 512853098 /nfs/dbraw/zinc/85/30/98/512853098.db2.gz QJSIXLUFBSPKSF-UHFFFAOYSA-N -1 1 355.419 2.530 20 30 FFEDMM CC[C@@](CNC(=O)c1ccc(C#N)c([O-])c1)(C(=O)OC)c1ccccc1 ZINC000412966518 513370755 /nfs/dbraw/zinc/37/07/55/513370755.db2.gz DPUQBCGBBXWQBI-FQEVSTJZSA-N -1 1 352.390 2.515 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCNC2=O)cc1C ZINC000442233046 513686874 /nfs/dbraw/zinc/68/68/74/513686874.db2.gz DKKSHHOZNVNVOC-UHFFFAOYSA-N -1 1 370.434 2.506 20 30 FFEDMM N#Cc1ccc(-n2ccc(NC(=O)c3ccc([O-])cc3F)n2)c(Cl)c1 ZINC000436745250 513964158 /nfs/dbraw/zinc/96/41/58/513964158.db2.gz BDAMSUXPSHJCKI-UHFFFAOYSA-N -1 1 356.744 2.916 20 30 FFEDMM C=CCN(CCC#N)C(=O)c1cc(I)ccc1[O-] ZINC000436842975 514003443 /nfs/dbraw/zinc/00/34/43/514003443.db2.gz ZNILJZVHAQCUHV-UHFFFAOYSA-N -1 1 356.163 2.539 20 30 FFEDMM CC#CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436900345 514025757 /nfs/dbraw/zinc/02/57/57/514025757.db2.gz CIBKTZNUVGCSCB-GOSISDBHSA-N -1 1 350.418 2.680 20 30 FFEDMM C=CCC1(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])CCCCC1 ZINC000451862578 514028428 /nfs/dbraw/zinc/02/84/28/514028428.db2.gz PDNHHVOOYMKIJO-UHFFFAOYSA-N -1 1 352.456 2.765 20 30 FFEDMM C=CCCCS(=O)(=O)[N-]c1ccc(I)c(C)n1 ZINC000427758899 514304970 /nfs/dbraw/zinc/30/49/70/514304970.db2.gz AKSZNZZTYJRQTA-UHFFFAOYSA-N -1 1 366.224 2.703 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CCOC)c1 ZINC000466424917 514643782 /nfs/dbraw/zinc/64/37/82/514643782.db2.gz JYSGHLCDVKIIEJ-UHFFFAOYSA-N -1 1 374.462 2.592 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)NC2CC2)cc1 ZINC000475795387 514813512 /nfs/dbraw/zinc/81/35/12/514813512.db2.gz VVWPDVCNBTUXQC-UHFFFAOYSA-N -1 1 370.434 2.837 20 30 FFEDMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475818285 514822041 /nfs/dbraw/zinc/82/20/41/514822041.db2.gz SANQEMYTKMXZBN-ZDUSSCGKSA-N -1 1 373.434 2.527 20 30 FFEDMM CC#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000498575495 514980345 /nfs/dbraw/zinc/98/03/45/514980345.db2.gz FFHVVHRBCNXCLU-UHFFFAOYSA-N -1 1 356.447 2.939 20 30 FFEDMM C=CCCC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1 ZINC000476487197 515069093 /nfs/dbraw/zinc/06/90/93/515069093.db2.gz HVSDCKPJAAOUPU-UHFFFAOYSA-N -1 1 364.467 2.862 20 30 FFEDMM C=CCOc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000468132075 515235056 /nfs/dbraw/zinc/23/50/56/515235056.db2.gz KXHYBBMUHAQKTH-UHFFFAOYSA-N -1 1 352.350 2.562 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000494600106 515894049 /nfs/dbraw/zinc/89/40/49/515894049.db2.gz ISCZLJPFSVULFD-UHFFFAOYSA-N -1 1 372.402 2.555 20 30 FFEDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000506655990 515945601 /nfs/dbraw/zinc/94/56/01/515945601.db2.gz WADQASPYLNUXOI-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnc[nH]2)c1 ZINC000470242113 516182867 /nfs/dbraw/zinc/18/28/67/516182867.db2.gz OZBOOJKAIBUMDV-UHFFFAOYSA-N -1 1 357.370 2.592 20 30 FFEDMM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)N3CCCCC3)n2)c(Cl)c1 ZINC000543913478 516496298 /nfs/dbraw/zinc/49/62/98/516496298.db2.gz TZNMJOUPLNTBJU-UHFFFAOYSA-N -1 1 365.846 2.540 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(F)c1 ZINC000513414220 516612006 /nfs/dbraw/zinc/61/20/06/516612006.db2.gz NNGIXSSHIQOWMO-UHFFFAOYSA-N -1 1 373.409 2.933 20 30 FFEDMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2c1=O ZINC000551473497 516722308 /nfs/dbraw/zinc/72/23/08/516722308.db2.gz OPBADFIXIGHYOU-UHFFFAOYSA-N -1 1 373.821 2.864 20 30 FFEDMM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)o1 ZINC000532761815 517133745 /nfs/dbraw/zinc/13/37/45/517133745.db2.gz PRCCHHJTIRKGEP-ZYHUDNBSSA-N -1 1 361.379 2.661 20 30 FFEDMM CN(C(=O)c1ccc(I)c([O-])c1)C1(C#N)CCC1 ZINC000546165651 517576234 /nfs/dbraw/zinc/57/62/34/517576234.db2.gz AMZYRWISNUVHHL-UHFFFAOYSA-N -1 1 356.163 2.515 20 30 FFEDMM Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)o1 ZINC000527583261 517772653 /nfs/dbraw/zinc/77/26/53/517772653.db2.gz DDBWZLIPUDJQDV-UHFFFAOYSA-N -1 1 367.405 2.508 20 30 FFEDMM C=CCc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc(OC)c1OC ZINC000550121611 517870115 /nfs/dbraw/zinc/87/01/15/517870115.db2.gz AAJUZMKERAXIFF-ZDUSSCGKSA-N -1 1 373.409 2.541 20 30 FFEDMM C=CCc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc(OC)c1OC ZINC000550121610 517870533 /nfs/dbraw/zinc/87/05/33/517870533.db2.gz AAJUZMKERAXIFF-CYBMUJFWSA-N -1 1 373.409 2.541 20 30 FFEDMM Cc1c(I)cccc1C([O-])=C(C#N)c1ccncn1 ZINC000546860943 517893660 /nfs/dbraw/zinc/89/36/60/517893660.db2.gz XSFQJLODENDRLL-LLVKDONJSA-N -1 1 363.158 2.880 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCCC3)c2)o1 ZINC000588113306 518728092 /nfs/dbraw/zinc/72/80/92/518728092.db2.gz CIGBFCBELHPKBY-UHFFFAOYSA-N -1 1 361.423 2.736 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc2ccccc2c1 ZINC000576909708 518822460 /nfs/dbraw/zinc/82/24/60/518822460.db2.gz XPYKJDIJYLAIFV-QGZVFWFLSA-N -1 1 372.446 2.667 20 30 FFEDMM Cc1cc(C(=O)NC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c(C)o1 ZINC000589176601 518941059 /nfs/dbraw/zinc/94/10/59/518941059.db2.gz SXSVLMTYWRGJIQ-UHFFFAOYSA-N -1 1 367.405 2.508 20 30 FFEDMM COC(=O)CCCN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589191283 518946049 /nfs/dbraw/zinc/94/60/49/518946049.db2.gz YRXCVZVPKANENC-UHFFFAOYSA-N -1 1 352.390 2.859 20 30 FFEDMM CN1C(=O)C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000589196752 518947758 /nfs/dbraw/zinc/94/77/58/518947758.db2.gz GABYUOIUJICURG-AEFFLSMTSA-N -1 1 369.808 2.619 20 30 FFEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCNC3=O)cc1 ZINC000594697766 520095723 /nfs/dbraw/zinc/09/57/23/520095723.db2.gz QSTUXASZEJWZNU-UHFFFAOYSA-N -1 1 369.446 2.574 20 30 FFEDMM N#Cc1ccc(N2CCC(NC(=O)Cc3ccc([O-])c(Cl)c3)CC2)nc1 ZINC000601033919 520607194 /nfs/dbraw/zinc/60/71/94/520607194.db2.gz RKPFDBQFPGVLGF-UHFFFAOYSA-N -1 1 370.840 2.640 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 ZINC000614295587 520894613 /nfs/dbraw/zinc/89/46/13/520894613.db2.gz XOXBATGISOPXLV-QGZVFWFLSA-N -1 1 351.362 2.634 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000614298329 520897358 /nfs/dbraw/zinc/89/73/58/520897358.db2.gz SSXOFKLXIIIZQY-UHFFFAOYSA-N -1 1 364.405 2.690 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000614373970 520930433 /nfs/dbraw/zinc/93/04/33/520930433.db2.gz LWGKEKYPVHEDDQ-UHFFFAOYSA-N -1 1 372.428 2.902 20 30 FFEDMM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614370852 520930479 /nfs/dbraw/zinc/93/04/79/520930479.db2.gz AIESFYLXRNDHEF-UHFFFAOYSA-N -1 1 353.378 2.617 20 30 FFEDMM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000615477591 521418783 /nfs/dbraw/zinc/41/87/83/521418783.db2.gz YVJMJPFWTPTKFB-IBGZPJMESA-N -1 1 369.465 2.907 20 30 FFEDMM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000619159114 521424024 /nfs/dbraw/zinc/42/40/24/521424024.db2.gz GWMVPHBQDXLOFI-ROUUACIJSA-N -1 1 350.374 2.783 20 30 FFEDMM C=CCCCCCNC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000594257940 521515191 /nfs/dbraw/zinc/51/51/91/521515191.db2.gz UDDTXFBGOPDGBX-UHFFFAOYSA-N -1 1 363.462 2.617 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461488 521579527 /nfs/dbraw/zinc/57/95/27/521579527.db2.gz LFCQJAXHNQTGQE-UHFFFAOYSA-N -1 1 370.434 2.861 20 30 FFEDMM C=CCC[C@H](NC(=O)CCc1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000632048973 521850896 /nfs/dbraw/zinc/85/08/96/521850896.db2.gz XTESPOWKKCJPMB-ZDUSSCGKSA-N -1 1 353.348 2.975 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(O)cc2F)o1 ZINC000735450834 598356515 /nfs/dbraw/zinc/35/65/15/598356515.db2.gz FLSBRANRIOZAPS-UHFFFAOYSA-N -1 1 359.365 2.734 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(O)c(F)c2)o1 ZINC000735450551 598640645 /nfs/dbraw/zinc/64/06/45/598640645.db2.gz ALMLAYTYAKUQCB-UHFFFAOYSA-N -1 1 359.365 2.734 20 30 FFEDMM FC(F)(F)c1cnc(N=NCc2ccc(-c3nnn[n-]3)o2)c(Cl)c1 ZINC000822729228 599332690 /nfs/dbraw/zinc/33/26/90/599332690.db2.gz WULFTMIQCYQCKV-UHFFFAOYSA-N -1 1 357.683 2.973 20 30 FFEDMM FC(F)(F)c1cnc(N=NCc2ccc(-c3nn[n-]n3)o2)c(Cl)c1 ZINC000822729228 599332693 /nfs/dbraw/zinc/33/26/93/599332693.db2.gz WULFTMIQCYQCKV-UHFFFAOYSA-N -1 1 357.683 2.973 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2CC(=O)[O-])c1C ZINC000738724307 599754430 /nfs/dbraw/zinc/75/44/30/599754430.db2.gz IJSGRHBFCITQHT-QGZVFWFLSA-N -1 1 357.454 2.879 20 30 FFEDMM O=C([O-])c1ccc2[nH]cc(C=Nn3c(C(F)(F)F)n[nH]c3=S)c2c1 ZINC000740191248 600180780 /nfs/dbraw/zinc/18/07/80/600180780.db2.gz WDCFFGPCAZIHRV-UHFFFAOYSA-N -1 1 355.301 2.647 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736282109 600564577 /nfs/dbraw/zinc/56/45/77/600564577.db2.gz QWIJOGDLPCDXIV-CVEARBPZSA-N -1 1 359.426 2.673 20 30 FFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3ccc(Cl)nc3)CC2)cc1 ZINC000739106442 600572905 /nfs/dbraw/zinc/57/29/05/600572905.db2.gz RYPBEZVSOHJQER-GOSISDBHSA-N -1 1 370.840 2.550 20 30 FFEDMM CCCNC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737030412 600594579 /nfs/dbraw/zinc/59/45/79/600594579.db2.gz WCHHNMLMEYEQIN-SFHVURJKSA-N -1 1 351.406 2.614 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000825966655 601036493 /nfs/dbraw/zinc/03/64/93/601036493.db2.gz JBZXTESOQFVAOO-KPZWWZAWSA-N -1 1 361.467 2.720 20 30 FFEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830059805 601327657 /nfs/dbraw/zinc/32/76/57/601327657.db2.gz QQAIEWHUVSOEJD-UXBLZVDNSA-N -1 1 372.402 2.856 20 30 FFEDMM O=C([O-])c1ccc(C=Nn2c(SCc3ccccc3)n[nH]c2=S)[nH]1 ZINC000833313201 601336584 /nfs/dbraw/zinc/33/65/84/601336584.db2.gz PAVRAHVPVNDCOE-UHFFFAOYSA-N -1 1 359.436 2.768 20 30 FFEDMM COc1ccc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1F ZINC000832384068 601551621 /nfs/dbraw/zinc/55/16/21/601551621.db2.gz RUFFADMYNWEQPO-IBGZPJMESA-N -1 1 369.396 2.654 20 30 FFEDMM CCN(CCC(=O)[O-])CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000829701516 601858403 /nfs/dbraw/zinc/85/84/03/601858403.db2.gz ASHWHXZCIQRWGO-UHFFFAOYSA-N -1 1 351.834 2.692 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000827217337 601935383 /nfs/dbraw/zinc/93/53/83/601935383.db2.gz BXXNTSPVFRDFMJ-UGSOOPFHSA-N -1 1 361.467 2.816 20 30 FFEDMM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000825894374 603560066 /nfs/dbraw/zinc/56/00/66/603560066.db2.gz GSWKSDFZWCXVSW-BFUOFWGJSA-N -1 1 369.425 2.914 20 30 FFEDMM O=C([O-])N1CCc2cccc(C=Nn3c(C(F)(F)F)n[nH]c3=S)c21 ZINC000832087570 603819660 /nfs/dbraw/zinc/81/96/60/603819660.db2.gz XVXSELBPPRUWRS-UHFFFAOYSA-N -1 1 357.317 2.508 20 30 FFEDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000825272464 604018904 /nfs/dbraw/zinc/01/89/04/604018904.db2.gz LEVPIFWFMYVFRA-RHSMWYFYSA-N -1 1 353.426 2.747 20 30 FFEDMM Cc1cc(C(C#N)C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])nc(C)n1 ZINC000829980533 604219344 /nfs/dbraw/zinc/21/93/44/604219344.db2.gz PCQAQBBOLQDZRP-HZPDHXFCSA-N -1 1 352.394 2.539 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833442447 604607230 /nfs/dbraw/zinc/60/72/30/604607230.db2.gz OWIWKXPRXMPNIY-CYBMUJFWSA-N -1 1 359.426 2.603 20 30 FFEDMM O=C([O-])c1ccccc1N=NCc1ccccc1OCC(=O)N1CCCC1 ZINC000812445427 605099160 /nfs/dbraw/zinc/09/91/60/605099160.db2.gz QMEHCBUCASUNCC-UHFFFAOYSA-N -1 1 367.405 2.832 20 30 FFEDMM N#Cc1cccc(COc2cccc(CN3CC[C@H](NC(=O)[O-])C3)c2)c1 ZINC000833978136 605568037 /nfs/dbraw/zinc/56/80/37/605568037.db2.gz CISDYZBFTYYDJI-SFHVURJKSA-N -1 1 351.406 2.979 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833402533 605598423 /nfs/dbraw/zinc/59/84/23/605598423.db2.gz OZEKFFXVNHBRMY-JTQLQIEISA-N -1 1 364.354 2.616 20 30 FFEDMM N#C[C@H](C(=O)c1cnc(NC(=O)[O-])cn1)c1nc2ccccc2n1C(F)F ZINC000833961143 606012749 /nfs/dbraw/zinc/01/27/49/606012749.db2.gz OQYQQGVYAOPBAQ-MRVPVSSYSA-N -1 1 372.291 2.801 20 30 FFEDMM N#CC(C(=O)c1cnc(NC(=O)[O-])cn1)c1nc2ccccc2n1C(F)F ZINC000833961143 606012752 /nfs/dbraw/zinc/01/27/52/606012752.db2.gz OQYQQGVYAOPBAQ-MRVPVSSYSA-N -1 1 372.291 2.801 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2c(O)cccc2Cl)o1 ZINC000824141329 607887469 /nfs/dbraw/zinc/88/74/69/607887469.db2.gz FRSFOURLEDJVTN-UHFFFAOYSA-N -1 1 361.793 2.957 20 30 FFEDMM Brc1cncc(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000823832515 607964624 /nfs/dbraw/zinc/96/46/24/607964624.db2.gz PQWFEBLVDZNWMV-UHFFFAOYSA-N -1 1 350.205 2.532 20 30 FFEDMM C#CCOc1ccccc1[C@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000823862124 608184732 /nfs/dbraw/zinc/18/47/32/608184732.db2.gz XRXJKFXFAQSPAK-NSHDSACASA-N -1 1 354.391 2.858 20 30 FFEDMM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401343 609310396 /nfs/dbraw/zinc/31/03/96/609310396.db2.gz WFJGDXMKQKDAEO-SNAWJCMRSA-N -1 1 362.212 2.982 20 30 FFEDMM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401343 609310398 /nfs/dbraw/zinc/31/03/98/609310398.db2.gz WFJGDXMKQKDAEO-SNAWJCMRSA-N -1 1 362.212 2.982 20 30 FFEDMM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000161184136 728929910 /nfs/dbraw/zinc/92/99/10/728929910.db2.gz UMUXNSPJTYXNBE-SECBINFHSA-N -1 1 368.361 2.590 20 30 FFEDMM C=CCn1c(Cc2csc(NC(=O)CCOCC)n2)n[n-]c1=S ZINC000102892178 728492800 /nfs/dbraw/zinc/49/28/00/728492800.db2.gz JSZUPBWDNYSUIE-UHFFFAOYSA-N -1 1 353.473 2.539 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)C#N)cc2)c1C ZINC000125783654 728687867 /nfs/dbraw/zinc/68/78/67/728687867.db2.gz AHBSOHDHUZKITR-ZDUSSCGKSA-N -1 1 357.435 2.746 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000126443060 728702603 /nfs/dbraw/zinc/70/26/03/728702603.db2.gz NITRLTGLCPXGQC-UHFFFAOYSA-N -1 1 353.600 2.576 20 30 FFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cn(C2CC2)nn1 ZINC000860472722 730515246 /nfs/dbraw/zinc/51/52/46/730515246.db2.gz DOUYUZAZLNSGIA-SNVBAGLBSA-N -1 1 364.192 2.881 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1F ZINC000917735861 737774220 /nfs/dbraw/zinc/77/42/20/737774220.db2.gz GLOYGYQDUKABLX-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)cc1 ZINC000656618657 731608275 /nfs/dbraw/zinc/60/82/75/731608275.db2.gz YLLVSOBBEPWWIA-QGZVFWFLSA-N -1 1 366.483 2.549 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)cc1 ZINC000656618656 731608419 /nfs/dbraw/zinc/60/84/19/731608419.db2.gz YLLVSOBBEPWWIA-KRWDZBQOSA-N -1 1 366.483 2.549 20 30 FFEDMM CC(C)(C)n1ncc2c1nc(N=NCC(F)(F)C(F)(F)F)[n-]c2=O ZINC000872351692 731754530 /nfs/dbraw/zinc/75/45/30/731754530.db2.gz MSIXTEKYOVZUME-UHFFFAOYSA-N -1 1 352.267 2.882 20 30 FFEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882277928 733202282 /nfs/dbraw/zinc/20/22/82/733202282.db2.gz SEJYDIPADDAMIK-JGVFFNPUSA-N -1 1 353.753 2.724 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1C ZINC000731313751 734674442 /nfs/dbraw/zinc/67/44/42/734674442.db2.gz JHKFTCWCKPXMDO-UHFFFAOYSA-N -1 1 365.386 2.886 20 30 FFEDMM COc1ccnc(N=NC(C)c2cc(Br)cc(F)c2[O-])n1 ZINC000783827219 738840104 /nfs/dbraw/zinc/84/01/04/738840104.db2.gz KFCIYRMPWWHFSR-UHFFFAOYSA-N -1 1 355.167 2.929 20 30 FFEDMM C#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000733287747 734804323 /nfs/dbraw/zinc/80/43/23/734804323.db2.gz PBFJQAFUYYVCMZ-UHFFFAOYSA-N -1 1 362.838 2.894 20 30 FFEDMM C=C(Cl)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000736246580 734979198 /nfs/dbraw/zinc/97/91/98/734979198.db2.gz AWZQUONCRIJUPB-UHFFFAOYSA-N -1 1 350.827 2.970 20 30 FFEDMM C=C[C@@](C)(O)Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000896223482 735121278 /nfs/dbraw/zinc/12/12/78/735121278.db2.gz GCAYFDOGIHSSFV-CQSZACIVSA-N -1 1 355.188 2.693 20 30 FFEDMM C[C@@H]1C[C@H](C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CO1 ZINC000784487976 738897418 /nfs/dbraw/zinc/89/74/18/738897418.db2.gz BJMCYHJREIEIMM-SCVCMEIPSA-N -1 1 357.435 2.877 20 30 FFEDMM C[C@@H]1C[C@@H](C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CO1 ZINC000784487971 738897541 /nfs/dbraw/zinc/89/75/41/738897541.db2.gz BJMCYHJREIEIMM-FOGDFJRCSA-N -1 1 357.435 2.877 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc2cc(F)ccc2o1 ZINC000748253121 735630782 /nfs/dbraw/zinc/63/07/82/735630782.db2.gz KKGXPMRQTNQSAJ-UHFFFAOYSA-N -1 1 363.326 2.793 20 30 FFEDMM CC1(c2ccccc2)CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000748254651 735630789 /nfs/dbraw/zinc/63/07/89/735630789.db2.gz DUBDVXPZOYQUQB-UHFFFAOYSA-N -1 1 359.407 2.981 20 30 FFEDMM C#C[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000754358443 736150717 /nfs/dbraw/zinc/15/07/17/736150717.db2.gz ZQPUVBRPDZERKY-INIZCTEOSA-N -1 1 356.447 2.937 20 30 FFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795844419 740070050 /nfs/dbraw/zinc/07/00/50/740070050.db2.gz JLXXGKCHHFYVCK-SSDOTTSWSA-N -1 1 367.196 2.739 20 30 FFEDMM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(Br)ncc1F ZINC000762434589 736823517 /nfs/dbraw/zinc/82/35/17/736823517.db2.gz QSZUPOVXYKPQCC-UHFFFAOYSA-N -1 1 353.151 2.913 20 30 FFEDMM CCC1(CC)C(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000762602961 736844054 /nfs/dbraw/zinc/84/40/54/736844054.db2.gz GTDUGCOZNLXDDM-HNNXBMFYSA-N -1 1 369.443 2.595 20 30 FFEDMM COc1cccc(S(C)(=O)=O)c1N=NCc1cc(F)c([O-])c(F)c1 ZINC000767394693 737321343 /nfs/dbraw/zinc/32/13/43/737321343.db2.gz ZOKLIMWTFXRFFF-UHFFFAOYSA-N -1 1 356.350 2.529 20 30 FFEDMM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000769816103 737569952 /nfs/dbraw/zinc/56/99/52/737569952.db2.gz BNMMRZDDYVJUDJ-UHFFFAOYSA-N -1 1 350.304 2.924 20 30 FFEDMM CCn1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccccc21 ZINC000915051147 737604295 /nfs/dbraw/zinc/60/42/95/737604295.db2.gz VVPXRJZYANVRHK-UHFFFAOYSA-N -1 1 352.419 2.734 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)C(C)C ZINC000915205224 737613965 /nfs/dbraw/zinc/61/39/65/737613965.db2.gz NNJDJQBMSXYSSK-AMXDTQDGSA-N -1 1 368.402 2.526 20 30 FFEDMM [O-]c1ccc(C=NN2C(=S)N=NC2[C@H]2CCCO2)cc1Br ZINC000916366708 737698644 /nfs/dbraw/zinc/69/86/44/737698644.db2.gz LPHDNAAENLDFMZ-LLVKDONJSA-N -1 1 369.244 2.769 20 30 FFEDMM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000917509651 737761814 /nfs/dbraw/zinc/76/18/14/737761814.db2.gz YOPJNCLQXLUYEX-LLVKDONJSA-N -1 1 356.363 2.673 20 30 FFEDMM N#CCSc1ccccc1NC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773572320 737921105 /nfs/dbraw/zinc/92/11/05/737921105.db2.gz WMWLDAIBOYDEPA-UHFFFAOYSA-N -1 1 360.366 2.942 20 30 FFEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773851605 737939323 /nfs/dbraw/zinc/93/93/23/737939323.db2.gz OXPCQOMUPOONDZ-UHFFFAOYSA-N -1 1 354.435 2.855 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000775298117 738081847 /nfs/dbraw/zinc/08/18/47/738081847.db2.gz HRAOODUNSVMMNS-UHFFFAOYSA-N -1 1 365.794 2.851 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cc(F)cc(Cl)c2)cc1 ZINC000776723081 738226051 /nfs/dbraw/zinc/22/60/51/738226051.db2.gz BXVCBGSJELMQOV-UHFFFAOYSA-N -1 1 371.777 2.841 20 30 FFEDMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC#N)c2)cc1 ZINC000785470991 738966780 /nfs/dbraw/zinc/96/67/80/738966780.db2.gz SVTDQFYENMZNAM-UHFFFAOYSA-N -1 1 360.391 2.566 20 30 FFEDMM COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000786100461 739025016 /nfs/dbraw/zinc/02/50/16/739025016.db2.gz XSIKJDKQJLDEHB-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(F)cccc2OC(F)(F)F)c(=O)o1 ZINC000789128976 739317892 /nfs/dbraw/zinc/31/78/92/739317892.db2.gz XETMSJBQFLCUBM-GXMNPTEKSA-N -1 1 358.243 2.953 20 30 FFEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ncc[nH]1 ZINC000790167143 739423773 /nfs/dbraw/zinc/42/37/73/739423773.db2.gz LWTZAYYAXFXTRW-UHFFFAOYSA-N -1 1 362.440 2.503 20 30 FFEDMM C=CCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795961476 740085496 /nfs/dbraw/zinc/08/54/96/740085496.db2.gz XBAJVVLBZPFSRV-UHFFFAOYSA-N -1 1 367.196 2.741 20 30 FFEDMM CC(=[NH+][N-]c1cnn(C)c1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799885853 740460123 /nfs/dbraw/zinc/46/01/23/740460123.db2.gz FDDBAHSJWGEJEB-UHFFFAOYSA-N -1 1 360.215 2.860 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(F)ccc(Br)c2F)c(=O)o1 ZINC000799888931 740460524 /nfs/dbraw/zinc/46/05/24/740460524.db2.gz JXDNIOIZTSAIMH-LWJUFGILSA-N -1 1 371.133 2.956 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1Cl ZINC000800965400 740572400 /nfs/dbraw/zinc/57/24/00/740572400.db2.gz JLEYGBUDYWMSKR-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM COCc1ncc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)s1 ZINC000808604800 741242995 /nfs/dbraw/zinc/24/29/95/741242995.db2.gz LGZPIRMEBJVONA-UHFFFAOYSA-N -1 1 352.759 2.975 20 30 FFEDMM O=C([O-])c1cccc(C=Nn2c(C(F)(F)F)n[nH]c2=S)c1Cl ZINC000814723617 741859645 /nfs/dbraw/zinc/85/96/45/741859645.db2.gz KAXLGKUJOPCEKM-UHFFFAOYSA-N -1 1 350.709 2.819 20 30 FFEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(C#N)cs1 ZINC000842069115 747514768 /nfs/dbraw/zinc/51/47/68/747514768.db2.gz WKUIYMLICYORTP-UHFFFAOYSA-N -1 1 365.436 2.523 20 30 FFEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000315687516 845795861 /nfs/dbraw/zinc/79/58/61/845795861.db2.gz WLIGIXYRAJEZNW-UHFFFAOYSA-N -1 1 366.668 2.716 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC#N)cc2)ccc1F ZINC000490669221 845919895 /nfs/dbraw/zinc/91/98/95/845919895.db2.gz HKYWWUMTUHOINT-UHFFFAOYSA-N -1 1 361.398 2.578 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC#N)cc2)c1C ZINC000490667639 845920232 /nfs/dbraw/zinc/92/02/32/845920232.db2.gz ADXIRNHHPHCQLG-UHFFFAOYSA-N -1 1 357.435 2.748 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC#N)ccc2C)cc1 ZINC000490678710 845920883 /nfs/dbraw/zinc/92/08/83/845920883.db2.gz XLQZMXYNSDWPOW-UHFFFAOYSA-N -1 1 357.435 2.748 20 30 FFEDMM C=CCCCC(=O)NCC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573334518 947457168 /nfs/dbraw/zinc/45/71/68/947457168.db2.gz FEWZHWPGBSNBCP-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCCC(=O)NCC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573334518 947457175 /nfs/dbraw/zinc/45/71/75/947457175.db2.gz FEWZHWPGBSNBCP-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=C1CCC(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2CC)CC1 ZINC000984793639 971730468 /nfs/dbraw/zinc/73/04/68/971730468.db2.gz DDBAUAPRZNJICJ-JKSUJKDBSA-N -1 1 357.454 2.643 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C ZINC001594366710 958495638 /nfs/dbraw/zinc/49/56/38/958495638.db2.gz IKRLVFIZCVQYJQ-FUHWJXTLSA-N -1 1 357.454 2.593 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3Cl)c2)c(=O)o1 ZINC000215305276 964323970 /nfs/dbraw/zinc/32/39/70/964323970.db2.gz PXTVHKAUPOINFG-HPFMTEOYSA-N -1 1 370.792 2.813 20 30 FFEDMM N#Cc1cc(F)cc(C2(C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)CC2)c1 ZINC000891613452 964588412 /nfs/dbraw/zinc/58/84/12/964588412.db2.gz HAHIXNLKNZANHH-UHFFFAOYSA-N -1 1 352.369 2.742 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCC(F)(F)F)c(F)c2)c(=O)o1 ZINC000588450119 965166238 /nfs/dbraw/zinc/16/62/38/965166238.db2.gz XKGWABSPLHVGJM-NSRYLSIASA-N -1 1 372.270 2.995 20 30 FFEDMM N#Cc1c[n-]n2c1nc(CN1CCC(c3cccc(F)c3)CC1)cc2=O ZINC001175890842 1013576869 /nfs/dbraw/zinc/57/68/69/1013576869.db2.gz VLLODFCQOXLMST-UHFFFAOYSA-N -1 1 351.385 2.825 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCCCC1 ZINC001211861606 967235191 /nfs/dbraw/zinc/23/51/91/967235191.db2.gz UCYKCFLSYCHZSN-UHFFFAOYSA-N -1 1 351.394 2.996 20 30 FFEDMM C#CCN1CCC(NC(=O)[C@](C)(CC(=O)[O-])c2ccc(C(C)C)cc2)CC1 ZINC000905132028 980391412 /nfs/dbraw/zinc/39/14/12/980391412.db2.gz WPEPTYVQLRHXHD-JOCHJYFZSA-N -1 1 370.493 2.756 20 30 FFEDMM COc1ccncc1C[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001211950814 981240237 /nfs/dbraw/zinc/24/02/37/981240237.db2.gz OAFVZCKMUKHRRL-UHFFFAOYSA-N -1 1 359.432 2.655 20 30 FFEDMM COc1ccc([C@@]2(C)NC(=O)N(N=Cc3ccc([O-])c(Cl)c3)C2=O)cc1 ZINC000921256865 991020965 /nfs/dbraw/zinc/02/09/65/991020965.db2.gz CHPUHDPDIIWKDY-GOSISDBHSA-N -1 1 373.796 2.855 20 30 FFEDMM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1OC ZINC000809680667 994578827 /nfs/dbraw/zinc/57/88/27/994578827.db2.gz ABXAJXWIMJLLSU-KRWDZBQOSA-N -1 1 365.389 2.883 20 30 FFEDMM COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cccc(C(=O)[O-])c1C#N ZINC001598705582 995282140 /nfs/dbraw/zinc/28/21/40/995282140.db2.gz VYVBYUQWGVUGNK-KBXCAEBGSA-N -1 1 366.417 2.766 20 30 FFEDMM O=c1nc(NN=Cc2c(OC(F)F)ccc3ccccc32)nc2[nH][n-]cc1-2 ZINC000731155528 997717351 /nfs/dbraw/zinc/71/73/51/997717351.db2.gz JNMCLBJAAVLDHC-UHFFFAOYSA-N -1 1 370.319 2.633 20 30 FFEDMM C=CCOC(=O)N1CCC2(CN(Cc3c(F)cc([O-])cc3F)C2)CC1 ZINC001144542387 998638093 /nfs/dbraw/zinc/63/80/93/998638093.db2.gz VQOSFUWPZMVXRK-UHFFFAOYSA-N -1 1 352.381 2.891 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c(F)cc([O-])cc1F ZINC001144550574 998645157 /nfs/dbraw/zinc/64/51/57/998645157.db2.gz REBWQXRJLWJKKY-QGZVFWFLSA-N -1 1 364.396 2.584 20 30 FFEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000741159648 999711183 /nfs/dbraw/zinc/71/11/83/999711183.db2.gz LYHXRTVTHXHGQP-UHFFFAOYSA-N -1 1 373.434 2.761 20 30 FFEDMM CCN(Cc1ccccc1)c1ccc(C=Nn2c(=O)cn[n-]c2=S)cc1 ZINC000766483320 999997394 /nfs/dbraw/zinc/99/73/94/999997394.db2.gz HCSFJRDGSALILX-UHFFFAOYSA-N -1 1 365.462 2.836 20 30 FFEDMM Cn1ncc2c1nc(N=NC1CCCc3[nH]c4ccc(F)cc4c31)[n-]c2=O ZINC000769808146 1000607379 /nfs/dbraw/zinc/60/73/79/1000607379.db2.gz BVNZNNKAJOJEMY-UHFFFAOYSA-N -1 1 365.372 2.842 20 30 FFEDMM CN(C(=O)OC(C)(C)C)c1cc(C(=O)Nc2ccc(C#N)cc2[O-])n(C)n1 ZINC001148086985 1001037452 /nfs/dbraw/zinc/03/74/52/1001037452.db2.gz CBQVDDJSLYUSBC-UHFFFAOYSA-N -1 1 371.397 2.621 20 30 FFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000785540404 1001451299 /nfs/dbraw/zinc/45/12/99/1001451299.db2.gz JDPWYEMVTKDFAK-GFCCVEGCSA-N -1 1 351.362 2.711 20 30 FFEDMM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000785568612 1001458662 /nfs/dbraw/zinc/45/86/62/1001458662.db2.gz XBFHMDZYDWRQQR-UHFFFAOYSA-N -1 1 359.426 2.641 20 30 FFEDMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000785613103 1001462620 /nfs/dbraw/zinc/46/26/20/1001462620.db2.gz LZWRZZNNKRDCSW-DOMZBBRYSA-N -1 1 359.426 2.782 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)C1 ZINC000785631340 1001464764 /nfs/dbraw/zinc/46/47/64/1001464764.db2.gz BFBLSSGMZVDVTG-HXUWFJFHSA-N -1 1 371.437 2.737 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3)c2Cl)c(=O)o1 ZINC000789128880 1001976420 /nfs/dbraw/zinc/97/64/20/1001976420.db2.gz UWNXEFMVYLUGBQ-QWPQOLDESA-N -1 1 370.792 2.813 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(Br)c(Cl)s2)CCC1 ZINC001260485879 1040620775 /nfs/dbraw/zinc/62/07/75/1040620775.db2.gz OPIKUZHELNHBIB-UHFFFAOYSA-N -1 1 355.666 2.889 20 30 FFEDMM Cn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000793125049 1003278460 /nfs/dbraw/zinc/27/84/60/1003278460.db2.gz OALVHQHUQDCRJG-AWEZNQCLSA-N -1 1 361.361 2.569 20 30 FFEDMM Cc1ncc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1C#N ZINC000793381237 1003354031 /nfs/dbraw/zinc/35/40/31/1003354031.db2.gz MUVGZCAQFLZPKJ-UHFFFAOYSA-N -1 1 367.386 2.914 20 30 FFEDMM Cc1noc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c1C(N)=O ZINC001196298487 1003739510 /nfs/dbraw/zinc/73/95/10/1003739510.db2.gz XFJXMBCCRUFSBY-UHFFFAOYSA-N -1 1 362.345 2.579 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cc(O)cc(C(N)=O)c3)c2)c1 ZINC001196319772 1003741361 /nfs/dbraw/zinc/74/13/61/1003741361.db2.gz FBIGRGREBCJZNG-UHFFFAOYSA-N -1 1 373.368 2.988 20 30 FFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(F)c1 ZINC001196679726 1003895674 /nfs/dbraw/zinc/89/56/74/1003895674.db2.gz HZSXFLLLKMJFFF-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)Nc1ccc(C#N)c2ncccc12 ZINC001196728973 1003941265 /nfs/dbraw/zinc/94/12/65/1003941265.db2.gz HOEUUBYFDXULQD-UHFFFAOYSA-N -1 1 372.431 2.792 20 30 FFEDMM CCCCCCCCCCCCNC(=O)Nc1c(O)[nH]c(=O)[n-]c1=S ZINC001191860546 1003967596 /nfs/dbraw/zinc/96/75/96/1003967596.db2.gz JLMDKOALYISPTA-CYBMUJFWSA-N -1 1 370.519 2.742 20 30 FFEDMM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)n[nH]1 ZINC001197387790 1004186869 /nfs/dbraw/zinc/18/68/69/1004186869.db2.gz XSABXQHREIHVFX-UHFFFAOYSA-N -1 1 350.334 2.970 20 30 FFEDMM CCOc1ccc(S(=O)(=O)Nc2c(F)cccc2C#N)cc1C(=O)[O-] ZINC001192639290 1004229253 /nfs/dbraw/zinc/22/92/53/1004229253.db2.gz SISFZEFIXJEOBB-UHFFFAOYSA-N -1 1 364.354 2.595 20 30 FFEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccn2)c(F)c1 ZINC001197820745 1004388565 /nfs/dbraw/zinc/38/85/65/1004388565.db2.gz JYSXZGXHNZGQSY-UHFFFAOYSA-N -1 1 350.371 2.505 20 30 FFEDMM O=C([O-])COc1ccc(CN=Nc2nccnc2C2CCC2)cc1[N+](=O)[O-] ZINC000807992502 1004733748 /nfs/dbraw/zinc/73/37/48/1004733748.db2.gz HBVNVHHWHAGCTF-UHFFFAOYSA-N -1 1 371.353 2.562 20 30 FFEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(OC)cnc1Cl ZINC001199257053 1004888271 /nfs/dbraw/zinc/88/82/71/1004888271.db2.gz AICFGPLTODPEAO-UHFFFAOYSA-N -1 1 351.771 2.716 20 30 FFEDMM C#CCCC1(CC[N-]S(=O)(=O)c2c(F)cccc2Br)N=N1 ZINC001201082311 1005171777 /nfs/dbraw/zinc/17/17/77/1005171777.db2.gz WPPLAAGJVZEDKD-UHFFFAOYSA-N -1 1 374.235 2.832 20 30 FFEDMM N#Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)s1 ZINC001201282611 1005187544 /nfs/dbraw/zinc/18/75/44/1005187544.db2.gz IYRNTZKQJNYLFU-UHFFFAOYSA-N -1 1 366.226 2.939 20 30 FFEDMM COC(Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1)OC ZINC001201323852 1005200122 /nfs/dbraw/zinc/20/01/22/1005200122.db2.gz OEJLRKCFHPGTEK-UHFFFAOYSA-N -1 1 360.435 2.829 20 30 FFEDMM CCCCCCCCCCCCS(=O)(=O)[N-][C@@H](CO)C(=O)OCC ZINC001187724533 1006216833 /nfs/dbraw/zinc/21/68/33/1006216833.db2.gz ZBURYOWPQZOEMU-INIZCTEOSA-N -1 1 365.536 2.751 20 30 FFEDMM CCCCCCCCS(=O)(=O)[N-][C@@H](C(=O)OCC)c1cccnc1 ZINC001188030069 1006386663 /nfs/dbraw/zinc/38/66/63/1006386663.db2.gz HCYGFJSHZBXJFY-MRXNPFEDSA-N -1 1 356.488 2.966 20 30 FFEDMM N#Cc1c(Cl)c(F)cc(C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)c1Cl ZINC001189825495 1007295090 /nfs/dbraw/zinc/29/50/90/1007295090.db2.gz GOUJQMGVFXURME-UHFFFAOYSA-N -1 1 372.099 2.856 20 30 FFEDMM CC(=O)C[C@H](C)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001181250423 1010023591 /nfs/dbraw/zinc/02/35/91/1010023591.db2.gz FLWWSEXSOXPCLJ-NTOSSWPYSA-N -1 1 358.423 2.775 20 30 FFEDMM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC000863028321 1010082441 /nfs/dbraw/zinc/08/24/41/1010082441.db2.gz VYGNRHCLORZQSS-IUODEOHRSA-N -1 1 359.426 2.782 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)[n-]c1=O ZINC000889785075 1010114431 /nfs/dbraw/zinc/11/44/31/1010114431.db2.gz BIBDBSRGCSXWOP-HNNXBMFYSA-N -1 1 366.421 2.969 20 30 FFEDMM C[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cccc(C#N)c1[O-] ZINC000866317275 1010975431 /nfs/dbraw/zinc/97/54/31/1010975431.db2.gz XCJWGSAQEMKLJR-HNNXBMFYSA-N -1 1 365.433 2.838 20 30 FFEDMM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1c(F)ccc([O-])c1F ZINC001274851032 1011697114 /nfs/dbraw/zinc/69/71/14/1011697114.db2.gz ZYJLENDAJQCNCL-LJQANCHMSA-N -1 1 364.392 2.844 20 30 FFEDMM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1cc([O-])cc(F)c1F)CC2 ZINC001274859961 1011706831 /nfs/dbraw/zinc/70/68/31/1011706831.db2.gz BJFLPVDGSZBMND-CQSZACIVSA-N -1 1 364.392 2.605 20 30 FFEDMM COC(=O)c1ccc(C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)[n-]1 ZINC000796363684 1012356807 /nfs/dbraw/zinc/35/68/07/1012356807.db2.gz WCCCYADOIWZFKW-UHFFFAOYSA-N -1 1 364.361 2.524 20 30 FFEDMM N#Cc1cccc(O[N-]C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000870693305 1012529784 /nfs/dbraw/zinc/52/97/84/1012529784.db2.gz BNIPIPWXQSRFEV-UHFFFAOYSA-N -1 1 364.405 2.912 20 30 FFEDMM C=C(C)Cn1c(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)nnc1C(C)(C)C ZINC000871088994 1012729044 /nfs/dbraw/zinc/72/90/44/1012729044.db2.gz KEEOAVMTQHXLLB-MRXNPFEDSA-N -1 1 373.423 2.799 20 30 FFEDMM CC1(C)CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccc(F)cc2O1 ZINC000748781504 1017646650 /nfs/dbraw/zinc/64/66/50/1017646650.db2.gz ZKGATIALSYEXBX-UHFFFAOYSA-N -1 1 373.409 2.830 20 30 FFEDMM COc1cc(C#N)ccc1COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801326448 1018849742 /nfs/dbraw/zinc/84/97/42/1018849742.db2.gz SHRSTPCESCDZKQ-UHFFFAOYSA-N -1 1 367.336 2.954 20 30 FFEDMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCc2ccnc(C#N)c2)n1 ZINC000801430123 1018980581 /nfs/dbraw/zinc/98/05/81/1018980581.db2.gz QXLWCBDAUXPXIQ-UHFFFAOYSA-N -1 1 352.325 2.649 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000801448824 1019003433 /nfs/dbraw/zinc/00/34/33/1019003433.db2.gz DHVBUPMEUYNPGO-LJQANCHMSA-N -1 1 359.426 2.641 20 30 FFEDMM CC(=O)N1Cc2ccc(S(=O)(=O)[N-]c3ccc(CCC#N)cc3)cc2C1 ZINC000901742531 1019420457 /nfs/dbraw/zinc/42/04/57/1019420457.db2.gz WTHBVRJRAIOPOJ-UHFFFAOYSA-N -1 1 369.446 2.806 20 30 FFEDMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C2CC2)c1 ZINC000901973303 1019669218 /nfs/dbraw/zinc/66/92/18/1019669218.db2.gz NOTXMFODKYBPPS-UHFFFAOYSA-N -1 1 369.446 2.938 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NN2C(=S)N=NC2c2ccc(C)cc2)c1 ZINC000726736753 1020514386 /nfs/dbraw/zinc/51/43/86/1020514386.db2.gz RQGWDUBWZTXAHW-UHFFFAOYSA-N -1 1 368.418 2.917 20 30 FFEDMM COC(=O)c1c(F)cccc1NN=Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000800818029 1020568748 /nfs/dbraw/zinc/56/87/48/1020568748.db2.gz DEMZNYOSFYYZSC-UHFFFAOYSA-N -1 1 363.301 2.681 20 30 FFEDMM C[C@H]1CC(=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)CN1C1CC1 ZINC000753955454 1023405626 /nfs/dbraw/zinc/40/56/26/1023405626.db2.gz OWVJZHBFBFNMOP-ZBEGNZNMSA-N -1 1 371.466 2.540 20 30 FFEDMM C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2cccc(F)c2[O-])C1=O ZINC000755609235 1023614762 /nfs/dbraw/zinc/61/47/62/1023614762.db2.gz PTBBANRXKKSVSX-LJQANCHMSA-N -1 1 355.369 2.809 20 30 FFEDMM C=C[C@H](CC(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000758921596 1024371241 /nfs/dbraw/zinc/37/12/41/1024371241.db2.gz URNBLGFUHUFCBS-OAHLLOKOSA-N -1 1 367.401 2.855 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3cc([O-])cc(C#N)c3)[C@@H]2C1 ZINC000837131186 1025602002 /nfs/dbraw/zinc/60/20/02/1025602002.db2.gz QCSDTTFKAYRERR-WMLDXEAASA-N -1 1 371.437 2.735 20 30 FFEDMM CCOC(=O)c1cc2c(c(C(=O)Nc3onc(C)c3C#N)c1[O-])CCCC2 ZINC001153929083 1028074098 /nfs/dbraw/zinc/07/40/98/1028074098.db2.gz QZVKRXNCACNYGD-UHFFFAOYSA-N -1 1 369.377 2.868 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)NC(=N)c3ccc4ccccc4n3)cc(=O)c2c1 ZINC001154559598 1028353436 /nfs/dbraw/zinc/35/34/36/1028353436.db2.gz PKOLYCQOJWERBG-UHFFFAOYSA-N -1 1 367.368 2.703 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1nn2ccccc2c1Br ZINC001155369652 1028698321 /nfs/dbraw/zinc/69/83/21/1028698321.db2.gz TWGIJTUYOSCHNQ-UHFFFAOYSA-N -1 1 374.198 2.536 20 30 FFEDMM C=C(C)CONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001164450780 1029283498 /nfs/dbraw/zinc/28/34/98/1029283498.db2.gz GIJYNGDXCGXNRV-UHFFFAOYSA-N -1 1 364.398 2.864 20 30 FFEDMM Cc1oc(-c2cccs2)nc1C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001115867383 1031992017 /nfs/dbraw/zinc/99/20/17/1031992017.db2.gz RBHOIKYITQFDIJ-UHFFFAOYSA-N -1 1 373.415 2.590 20 30 FFEDMM [O-]/N=C(\O[C@H]1COCc2cc(Br)cnc21)c1ccccn1 ZINC001223975479 1033664564 /nfs/dbraw/zinc/66/45/64/1033664564.db2.gz ASDDJXKQDKISCY-XHAIIGHRSA-N -1 1 350.172 2.663 20 30 FFEDMM CN(C)C(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830563098 1033678059 /nfs/dbraw/zinc/67/80/59/1033678059.db2.gz FECQQWMAHXTRIG-KRWDZBQOSA-N -1 1 352.394 2.567 20 30 FFEDMM CSc1ccc([O-])c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC001138095406 1033735225 /nfs/dbraw/zinc/73/52/25/1033735225.db2.gz RSEXSMKQCNNVND-UHFFFAOYSA-N -1 1 351.391 2.819 20 30 FFEDMM CC1(C)CN(Cc2ccccc2)C[C@H](COc2[n-]c(=O)c(F)cc2C#N)O1 ZINC001226009085 1034490196 /nfs/dbraw/zinc/49/01/96/1034490196.db2.gz ROWBEKFIEPQOHN-MRXNPFEDSA-N -1 1 371.412 2.856 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc([O-])c(C#N)c2C#N)C(F)(F)C1 ZINC001227617683 1035640171 /nfs/dbraw/zinc/64/01/71/1035640171.db2.gz HGVJIMRGCAFJHX-CQSZACIVSA-N -1 1 365.336 2.769 20 30 FFEDMM N#Cc1ccc([O-])cc1OC1CCN(C(=O)c2cccnc2Cl)CC1 ZINC001228004744 1035864328 /nfs/dbraw/zinc/86/43/28/1035864328.db2.gz FOFOMMRZRITENS-UHFFFAOYSA-N -1 1 357.797 2.996 20 30 FFEDMM N#Cc1ccc([O-])c(CN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC001232678209 1035937497 /nfs/dbraw/zinc/93/74/97/1035937497.db2.gz YTRABPIUADINBC-SESVDKBCSA-N -1 1 365.433 2.607 20 30 FFEDMM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695682 1036265405 /nfs/dbraw/zinc/26/54/05/1036265405.db2.gz OYHXHOPANPYBMY-CQSZACIVSA-N -1 1 357.414 2.811 20 30 FFEDMM COC(=O)c1nc[n-]c(=O)c1O[C@@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001233756566 1036748298 /nfs/dbraw/zinc/74/82/98/1036748298.db2.gz QBAUJRZTNLFNQA-AWEZNQCLSA-N -1 1 356.454 2.970 20 30 FFEDMM C=CCC[C@@H](CO)NC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836745320 1036803095 /nfs/dbraw/zinc/80/30/95/1036803095.db2.gz MMJFWNNJXFNWLA-ZDUSSCGKSA-N -1 1 373.375 2.622 20 30 FFEDMM Cc1cc([O-])c(OC2CCN(c3ncccc3C#N)CC2)cc1[N+](=O)[O-] ZINC001229755639 1036874098 /nfs/dbraw/zinc/87/40/98/1036874098.db2.gz ZCLOCBASGMETSD-UHFFFAOYSA-N -1 1 354.366 2.923 20 30 FFEDMM C=CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC ZINC001257795314 1038981345 /nfs/dbraw/zinc/98/13/45/1038981345.db2.gz NGUZSFPOMSVTPR-CYBMUJFWSA-N -1 1 352.239 2.780 20 30 FFEDMM N#Cc1ccc(NC(=S)NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001245935858 1039152289 /nfs/dbraw/zinc/15/22/89/1039152289.db2.gz ZBIHNCPHQACFSU-UHFFFAOYSA-N -1 1 373.374 2.517 20 30 FFEDMM COC(=O)CCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC001258126350 1039202608 /nfs/dbraw/zinc/20/26/08/1039202608.db2.gz IONFCPMFENKBLY-UHFFFAOYSA-N -1 1 358.419 2.855 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c(OC)c1 ZINC001258959408 1039618242 /nfs/dbraw/zinc/61/82/42/1039618242.db2.gz YNVNEERHTGNQSF-UHFFFAOYSA-N -1 1 354.334 2.654 20 30 FFEDMM COC(=O)[C@H]1CCc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc21 ZINC001259126163 1039732687 /nfs/dbraw/zinc/73/26/87/1039732687.db2.gz OOGGFJLOBTYVPG-KRWDZBQOSA-N -1 1 356.403 2.562 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc3cnccc32)ccc1C#N ZINC001259158053 1039750842 /nfs/dbraw/zinc/75/08/42/1039750842.db2.gz MHBHPMROPPKLBP-UHFFFAOYSA-N -1 1 367.386 2.694 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc(Br)n1 ZINC001259412737 1039984116 /nfs/dbraw/zinc/98/41/16/1039984116.db2.gz QFWQIJIICIAVTE-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM Cc1cnc(Br)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412458 1039984394 /nfs/dbraw/zinc/98/43/94/1039984394.db2.gz JMJGLKHKYIRHJJ-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cccc(Cl)c2F)Cc2ccccc2C1 ZINC001259473752 1040038940 /nfs/dbraw/zinc/03/89/40/1040038940.db2.gz IOMQXTKOZBKGLX-UHFFFAOYSA-N -1 1 350.802 2.819 20 30 FFEDMM C=CCS(=O)(=O)[N-]c1cc(C(=O)OC)ccc1NC(=O)OC(C)(C)C ZINC001259931371 1040303759 /nfs/dbraw/zinc/30/37/59/1040303759.db2.gz HFHBTTLASDWQQH-UHFFFAOYSA-N -1 1 370.427 2.748 20 30 FFEDMM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccn(-c2ccncc2)n1)c1ccccc1 ZINC001263472439 1042331713 /nfs/dbraw/zinc/33/17/13/1042331713.db2.gz FEBNFUMZARCIAD-QZTJIDSGSA-N -1 1 373.416 2.857 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1N1CCCC1=O ZINC001321234884 1045594391 /nfs/dbraw/zinc/59/43/91/1045594391.db2.gz AUMXZXHAQAGPAR-UHFFFAOYSA-N -1 1 369.446 2.989 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1coc(C2CCCCC2)n1 ZINC001321449506 1045669683 /nfs/dbraw/zinc/66/96/83/1045669683.db2.gz QZMLGGUHSRSGPJ-UHFFFAOYSA-N -1 1 359.407 2.601 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cncc(-c2ccccc2)c1 ZINC001323794406 1045728301 /nfs/dbraw/zinc/72/83/01/1045728301.db2.gz RUKBHBKSESIUIB-UHFFFAOYSA-N -1 1 363.398 2.628 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H](CC#N)C1 ZINC001328779460 1048463197 /nfs/dbraw/zinc/46/31/97/1048463197.db2.gz XUNDGCOKXCOANB-HNNXBMFYSA-N -1 1 365.437 2.638 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCCC2)cc1[O-] ZINC001297642010 1050252714 /nfs/dbraw/zinc/25/27/14/1050252714.db2.gz YTDHZBJLIWNOTH-QGZVFWFLSA-N -1 1 371.437 2.881 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001339866267 1050282438 /nfs/dbraw/zinc/28/24/38/1050282438.db2.gz AGHDXDOVUOAPCK-CYBMUJFWSA-N -1 1 356.821 2.639 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001339866267 1050282456 /nfs/dbraw/zinc/28/24/56/1050282456.db2.gz AGHDXDOVUOAPCK-CYBMUJFWSA-N -1 1 356.821 2.639 20 30 FFEDMM N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([O-])c(F)c3F)CC2=O)cc1 ZINC001297821859 1050295463 /nfs/dbraw/zinc/29/54/63/1050295463.db2.gz YKQUFMLHNIYLQL-NSHDSACASA-N -1 1 357.316 2.534 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001342414630 1051009418 /nfs/dbraw/zinc/00/94/18/1051009418.db2.gz OSRMZSNHYUGZSH-MRVPVSSYSA-N -1 1 361.759 2.681 20 30 FFEDMM CCc1ccc2occ(C(=O)N=C3[N-]S(=O)(=O)c4ccccc43)c2c1 ZINC001345426034 1052439763 /nfs/dbraw/zinc/43/97/63/1052439763.db2.gz FJTSYTCNOWFCQP-UHFFFAOYSA-N -1 1 354.387 2.874 20 30 FFEDMM C=C(C)C[C@@H](C)C(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001346668272 1053201910 /nfs/dbraw/zinc/20/19/10/1053201910.db2.gz IIGLUIHGKIIYSY-QLVMHMETSA-N -1 1 371.481 2.891 20 30 FFEDMM C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001346687704 1053223153 /nfs/dbraw/zinc/22/31/53/1053223153.db2.gz SWVSVASAYUPBQF-OXQOHEQNSA-N -1 1 357.454 2.645 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001351563392 1054902995 /nfs/dbraw/zinc/90/29/95/1054902995.db2.gz YBFYDSOGBIUVQB-YNEHKIRRSA-N -1 1 354.458 2.985 20 30 FFEDMM C=CCN(C)c1nnc(-c2cc(Cl)ncc2[O-])n1C[C@@H]1CCCCO1 ZINC001349556635 1055337702 /nfs/dbraw/zinc/33/77/02/1055337702.db2.gz XOACJDQXQVFFIK-LBPRGKRZSA-N -1 1 363.849 2.890 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001339498319 1056516763 /nfs/dbraw/zinc/51/67/63/1056516763.db2.gz QBUFJCHCOCTXTO-LBPRGKRZSA-N -1 1 370.457 2.508 20 30 FFEDMM C#CC1CCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC2CC2)CC1 ZINC001518259709 1058319196 /nfs/dbraw/zinc/31/91/96/1058319196.db2.gz PCDCNWUUPDACMY-UHFFFAOYSA-N -1 1 364.453 2.578 20 30 FFEDMM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001515081286 1059301540 /nfs/dbraw/zinc/30/15/40/1059301540.db2.gz DXKWUXISCOLFPL-MRXNPFEDSA-N -1 1 373.416 2.842 20 30 FFEDMM Cn1c(Cl)cnc1C(C#N)=C([O-])c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001520030335 1059325317 /nfs/dbraw/zinc/32/53/17/1059325317.db2.gz WEWIQWHHAQDBST-LLVKDONJSA-N -1 1 360.801 2.914 20 30 FFEDMM CSc1ncc(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c(=O)[n-]1 ZINC001455089295 1059691595 /nfs/dbraw/zinc/69/15/95/1059691595.db2.gz FVGGYAUYTFTRDB-LLVKDONJSA-N -1 1 368.340 2.809 20 30 FFEDMM CCCC[C@H](ON=C(C)C)C(=O)NC(C)(C)c1ncc(OC)c(=O)[n-]1 ZINC001456154055 1060027812 /nfs/dbraw/zinc/02/78/12/1060027812.db2.gz ZBMWLHHBBZIUGV-LBPRGKRZSA-N -1 1 352.435 2.513 20 30 FFEDMM COC(=O)[C@@H]1O[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001457999611 1060487900 /nfs/dbraw/zinc/48/79/00/1060487900.db2.gz ZKNZJHYFHRNYAT-BZHVJNSISA-N -1 1 362.209 2.678 20 30 FFEDMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(OCC#N)c2)c(F)c1 ZINC001463077502 1061926503 /nfs/dbraw/zinc/92/65/03/1061926503.db2.gz DTWPMXYXSLQMOW-UHFFFAOYSA-N -1 1 352.362 2.654 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccn2)o1 ZINC001464730331 1062787440 /nfs/dbraw/zinc/78/74/40/1062787440.db2.gz FGNMKNVNBISWEQ-KRWDZBQOSA-N -1 1 353.403 2.809 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCO[C@H](CC)C1 ZINC001524288253 1062790587 /nfs/dbraw/zinc/79/05/87/1062790587.db2.gz WOQFENADWMKBPU-GFCCVEGCSA-N -1 1 363.849 2.890 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=[S@](C)(=O)c2cccc(F)c2)cc1C#N ZINC001439434467 1063155578 /nfs/dbraw/zinc/15/55/78/1063155578.db2.gz IFSLNTMIAWEOLM-XMMPIXPASA-N -1 1 365.411 2.817 20 30 FFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1cc(Br)no1 ZINC001468174840 1063939030 /nfs/dbraw/zinc/93/90/30/1063939030.db2.gz BHHJDKPQQOFSGD-UHFFFAOYSA-N -1 1 356.126 2.717 20 30 FFEDMM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001469874018 1064221614 /nfs/dbraw/zinc/22/16/14/1064221614.db2.gz IYEKXBRNMRGBQO-KRWDZBQOSA-N -1 1 365.364 2.757 20 30 FFEDMM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575190458 1078115582 /nfs/dbraw/zinc/11/55/82/1078115582.db2.gz SJYYWESGXVHVCK-QMMMGPOBSA-N -1 1 373.829 2.666 20 30 FFEDMM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC001472620193 1065112627 /nfs/dbraw/zinc/11/26/27/1065112627.db2.gz SHISGPGPULIVSL-ZDUSSCGKSA-N -1 1 358.822 2.598 20 30 FFEDMM CCCn1c2ccccc2n(CCC(=O)[N-]Oc2cccc(C#N)c2)c1=O ZINC001557921329 1075911949 /nfs/dbraw/zinc/91/19/49/1075911949.db2.gz WAPSNZFCEWEZCH-UHFFFAOYSA-N -1 1 364.405 2.585 20 30 FFEDMM COc1cnc(C2(NC(=O)Nc3ccc(CC#N)cc3)CCCC2)[n-]c1=O ZINC001562066905 1076474071 /nfs/dbraw/zinc/47/40/71/1076474071.db2.gz UYNOAYAWYXASGX-UHFFFAOYSA-N -1 1 367.409 2.848 20 30 FFEDMM N#Cc1cccc(O[N-]C(=O)CCNC(=O)c2ccc3ccccc3c2)c1 ZINC001587205575 1079754628 /nfs/dbraw/zinc/75/46/28/1079754628.db2.gz ZBBWRWTWUJCPOV-UHFFFAOYSA-N -1 1 359.385 2.942 20 30 FFEDMM C#CC(C)(C)NC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001588325290 1079984388 /nfs/dbraw/zinc/98/43/88/1079984388.db2.gz JGVZNGOVXVLEFP-UHFFFAOYSA-N -1 1 363.381 2.587 20 30 FFEDMM C#CC(C)(C)NC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001588325290 1079984394 /nfs/dbraw/zinc/98/43/94/1079984394.db2.gz JGVZNGOVXVLEFP-UHFFFAOYSA-N -1 1 363.381 2.587 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCCC1(C)C ZINC001588438611 1080028419 /nfs/dbraw/zinc/02/84/19/1080028419.db2.gz WKUFCKWFTCGITG-UHFFFAOYSA-N -1 1 354.418 2.673 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCCC1(C)C ZINC001588438611 1080028425 /nfs/dbraw/zinc/02/84/25/1080028425.db2.gz WKUFCKWFTCGITG-UHFFFAOYSA-N -1 1 354.418 2.673 20 30 FFEDMM C=CCCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588585971 1080110157 /nfs/dbraw/zinc/11/01/57/1080110157.db2.gz AKIBUZNBEZCZRO-IUCAKERBSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCCCC(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588587230 1080111173 /nfs/dbraw/zinc/11/11/73/1080111173.db2.gz RQNSAUIPNNTUKX-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCCC(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588587230 1080111176 /nfs/dbraw/zinc/11/11/76/1080111176.db2.gz RQNSAUIPNNTUKX-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001588622713 1080125334 /nfs/dbraw/zinc/12/53/34/1080125334.db2.gz CYMSOBFJDNEQQR-HNNXBMFYSA-N -1 1 366.845 2.547 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001588622713 1080125337 /nfs/dbraw/zinc/12/53/37/1080125337.db2.gz CYMSOBFJDNEQQR-HNNXBMFYSA-N -1 1 366.845 2.547 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001588622713 1080125342 /nfs/dbraw/zinc/12/53/42/1080125342.db2.gz CYMSOBFJDNEQQR-HNNXBMFYSA-N -1 1 366.845 2.547 20 30 FFEDMM C=CCc1cc(CNc2ccc(C)c(-c3nnn[n-]3)n2)cc(OC)c1OC ZINC001588694103 1080159055 /nfs/dbraw/zinc/15/90/55/1080159055.db2.gz CJHPTEYLDHUXLK-UHFFFAOYSA-N -1 1 366.425 2.928 20 30 FFEDMM C=CCc1cc(CNc2ccc(C)c(-c3nn[n-]n3)n2)cc(OC)c1OC ZINC001588694103 1080159058 /nfs/dbraw/zinc/15/90/58/1080159058.db2.gz CJHPTEYLDHUXLK-UHFFFAOYSA-N -1 1 366.425 2.928 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001588705630 1080163410 /nfs/dbraw/zinc/16/34/10/1080163410.db2.gz ZFIODCQCWSQSSO-JSGCOSHPSA-N -1 1 366.429 2.673 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001588705630 1080163413 /nfs/dbraw/zinc/16/34/13/1080163413.db2.gz ZFIODCQCWSQSSO-JSGCOSHPSA-N -1 1 366.429 2.673 20 30 FFEDMM CC(C)[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccccc1Cl ZINC001589476975 1080552290 /nfs/dbraw/zinc/55/22/90/1080552290.db2.gz XFLGNVNGSDSEEV-CQSZACIVSA-N -1 1 354.805 2.991 20 30 FFEDMM CC(C)[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccccc1Cl ZINC001589476975 1080552292 /nfs/dbraw/zinc/55/22/92/1080552292.db2.gz XFLGNVNGSDSEEV-CQSZACIVSA-N -1 1 354.805 2.991 20 30 FFEDMM C[C@@H](Sc1cccc(F)c1-c1nn[n-]n1)C(=O)NC1(C#N)CCCCC1 ZINC001590035398 1080960277 /nfs/dbraw/zinc/96/02/77/1080960277.db2.gz GIISSWNIONTGGG-LLVKDONJSA-N -1 1 374.445 2.829 20 30 FFEDMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000277752704 256235429 /nfs/dbraw/zinc/23/54/29/256235429.db2.gz ZKVPQOYUBLPGQS-UHFFFAOYSA-N -1 1 369.446 2.868 20 30 FFEDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1 ZINC000032595765 506268457 /nfs/dbraw/zinc/26/84/57/506268457.db2.gz AVGIKLBNYQIOKW-UHFFFAOYSA-N -1 1 367.434 2.689 20 30 FFEDMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1Cl ZINC000032630353 506272236 /nfs/dbraw/zinc/27/22/36/506272236.db2.gz NZZSQNGKIZFIFF-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM CCCCCCCS(=O)(=O)[N-][C@H](CO)c1nc(-c2ccccc2)no1 ZINC000369106350 512230232 /nfs/dbraw/zinc/23/02/32/512230232.db2.gz HMLMPZJFVHMYIO-OAHLLOKOSA-N -1 1 367.471 2.660 20 30 FFEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000057121372 507177106 /nfs/dbraw/zinc/17/71/06/507177106.db2.gz JXEYUPATDNSWRC-ZDUSSCGKSA-N -1 1 357.435 2.887 20 30 FFEDMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000057125305 507178800 /nfs/dbraw/zinc/17/88/00/507178800.db2.gz RAHBFMWSBROLRU-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000024347047 507403999 /nfs/dbraw/zinc/40/39/99/507403999.db2.gz NBHHXZVUMPYKEQ-CYBMUJFWSA-N -1 1 354.431 2.766 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc2C[C@H]1C ZINC000063878659 507778057 /nfs/dbraw/zinc/77/80/57/507778057.db2.gz XHCCEMQIGRHFGJ-CYBMUJFWSA-N -1 1 369.446 2.965 20 30 FFEDMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000064348012 507791824 /nfs/dbraw/zinc/79/18/24/507791824.db2.gz SSVGDVKRUQYJPD-UHFFFAOYSA-N -1 1 356.407 2.706 20 30 FFEDMM CS(=O)(=O)c1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)[n-]1 ZINC000064348012 507791826 /nfs/dbraw/zinc/79/18/26/507791826.db2.gz SSVGDVKRUQYJPD-UHFFFAOYSA-N -1 1 356.407 2.706 20 30 FFEDMM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cn1 ZINC000114850104 508353957 /nfs/dbraw/zinc/35/39/57/508353957.db2.gz LPLWQSFICRPWAQ-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM C=CCC(CC=C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000156547864 508437909 /nfs/dbraw/zinc/43/79/09/508437909.db2.gz OOGKTZKCQXMFAM-UHFFFAOYSA-N -1 1 364.467 2.884 20 30 FFEDMM Cn1cccc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123442969 508687695 /nfs/dbraw/zinc/68/76/95/508687695.db2.gz NEOWTDNISGPDNA-LLVKDONJSA-N -1 1 352.419 2.692 20 30 FFEDMM CC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nccs1 ZINC000120419610 508992149 /nfs/dbraw/zinc/99/21/49/508992149.db2.gz WQNDWIXQFRONDS-AWEZNQCLSA-N -1 1 366.424 2.527 20 30 FFEDMM C#CCSCCNC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000156118473 509130328 /nfs/dbraw/zinc/13/03/28/509130328.db2.gz CURFILVTFGUREI-UHFFFAOYSA-N -1 1 352.510 2.542 20 30 FFEDMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)N(C)CCC#N)nc1-c1ccccc1 ZINC000163921527 509440592 /nfs/dbraw/zinc/44/05/92/509440592.db2.gz IRYTXLJMIPGNDL-ZDUSSCGKSA-N -1 1 356.451 2.598 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1[O-] ZINC000189200661 509460656 /nfs/dbraw/zinc/46/06/56/509460656.db2.gz JQEFQDZMBPOJIN-CYBMUJFWSA-N -1 1 364.327 2.956 20 30 FFEDMM N#Cc1ccc(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)cc1[O-] ZINC000189222896 509471334 /nfs/dbraw/zinc/47/13/34/509471334.db2.gz DECKSXRETLTRNG-UHFFFAOYSA-N -1 1 365.311 2.572 20 30 FFEDMM N#CC(=C([O-])c1cccc(C(=O)N2CCCC2)n1)c1nc2ccccc2[nH]1 ZINC000173904911 509844966 /nfs/dbraw/zinc/84/49/66/509844966.db2.gz WKCMDSNPINHXTE-CYBMUJFWSA-N -1 1 359.389 2.684 20 30 FFEDMM N#Cc1ccc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1[O-] ZINC000189978378 509864299 /nfs/dbraw/zinc/86/42/99/509864299.db2.gz JQEOJFWJPSKYHQ-UHFFFAOYSA-N -1 1 358.781 2.661 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000177128596 509888631 /nfs/dbraw/zinc/88/86/31/509888631.db2.gz SKCJCHQJGTVQEX-SECBINFHSA-N -1 1 367.333 2.784 20 30 FFEDMM CN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2CC1=O ZINC000193455580 509922915 /nfs/dbraw/zinc/92/29/15/509922915.db2.gz JSWAGRHXMOOLNL-UHFFFAOYSA-N -1 1 361.810 2.531 20 30 FFEDMM CC[C@@H](CC#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183912425 510035932 /nfs/dbraw/zinc/03/59/32/510035932.db2.gz KJRYRLLBYRPAGR-HNNXBMFYSA-N -1 1 357.435 2.909 20 30 FFEDMM COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000187835467 510460910 /nfs/dbraw/zinc/46/09/10/510460910.db2.gz WCLAXWQBCHJXIC-CQSZACIVSA-N -1 1 351.406 2.529 20 30 FFEDMM N#Cc1ccsc1N1CC[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1=O ZINC000188131942 510610261 /nfs/dbraw/zinc/61/02/61/510610261.db2.gz WVJYQCOACRCFQZ-GFCCVEGCSA-N -1 1 358.448 2.890 20 30 FFEDMM COc1ccc(C(C)(C)CNC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000188290762 510692127 /nfs/dbraw/zinc/69/21/27/510692127.db2.gz USMURDAVRDOXSI-UHFFFAOYSA-N -1 1 354.406 2.989 20 30 FFEDMM N#CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C1CC1 ZINC000271199965 511117715 /nfs/dbraw/zinc/11/77/15/511117715.db2.gz BDZIBQCMADQYHC-UHFFFAOYSA-N -1 1 357.288 2.631 20 30 FFEDMM N#Cc1ccc(OC2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)c(F)c1 ZINC000295773139 511510637 /nfs/dbraw/zinc/51/06/37/511510637.db2.gz PYJSZAZXOLHLIX-UHFFFAOYSA-N -1 1 374.343 2.931 20 30 FFEDMM O=C(Nc1ccccc1O)C1CCN(CC2CCS(=O)(=O)CC2)CC1 ZINC000329157151 511995360 /nfs/dbraw/zinc/99/53/60/511995360.db2.gz CHZBBQXXANOAQS-UHFFFAOYSA-N -1 1 366.483 2.517 20 30 FFEDMM Cc1ccc2c([O-])c(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cnc2n1 ZINC000378301210 512684632 /nfs/dbraw/zinc/68/46/32/512684632.db2.gz HNUQSUHNYKIOPU-SFHVURJKSA-N -1 1 374.400 2.729 20 30 FFEDMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCO[C@H](c3cccc(C#N)c3)C1)c2=O ZINC000378301210 512684635 /nfs/dbraw/zinc/68/46/35/512684635.db2.gz HNUQSUHNYKIOPU-SFHVURJKSA-N -1 1 374.400 2.729 20 30 FFEDMM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3ccc(C#N)o3)co2)cc1 ZINC000376276302 512744912 /nfs/dbraw/zinc/74/49/12/512744912.db2.gz UXKRHNGZLHOPER-UHFFFAOYSA-N -1 1 357.391 2.636 20 30 FFEDMM N#Cc1cccc([C@H]2CN(Cc3cc(=O)oc4cc([O-])ccc34)CCO2)c1 ZINC000372343131 512825243 /nfs/dbraw/zinc/82/52/43/512825243.db2.gz BDCZBMDZKMTNCY-HXUWFJFHSA-N -1 1 362.385 2.944 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1noc(Cc2ccccc2)n1 ZINC000435436121 513585839 /nfs/dbraw/zinc/58/58/39/513585839.db2.gz DFIJGMIUPJRDIK-LLVKDONJSA-N -1 1 374.447 2.633 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)ccc1C#N ZINC000435720472 513667389 /nfs/dbraw/zinc/66/73/89/513667389.db2.gz BSAACVZUHFYGQE-UHFFFAOYSA-N -1 1 361.398 2.508 20 30 FFEDMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2CCC1=O ZINC000435729839 513671478 /nfs/dbraw/zinc/67/14/78/513671478.db2.gz WDUZWTPMGYQUBR-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)ccc1C#N ZINC000435753057 513677311 /nfs/dbraw/zinc/67/73/11/513677311.db2.gz OHGXQJDZXNNHHR-UHFFFAOYSA-N -1 1 369.446 2.904 20 30 FFEDMM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442957897 513827517 /nfs/dbraw/zinc/82/75/17/513827517.db2.gz VEDOCYOXQZZAJS-MRXNPFEDSA-N -1 1 367.430 2.726 20 30 FFEDMM N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(C#N)c([O-])c3)C2)c(F)c1 ZINC000442972779 513832365 /nfs/dbraw/zinc/83/23/65/513832365.db2.gz MKVOLXFOVYCPCO-INIZCTEOSA-N -1 1 364.380 2.673 20 30 FFEDMM Cc1c(C#N)cccc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000431853873 514020627 /nfs/dbraw/zinc/02/06/27/514020627.db2.gz ALNBBFVBKCKALP-UHFFFAOYSA-N -1 1 361.423 2.789 20 30 FFEDMM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3[O-])C2=O)cc1 ZINC000436921524 514036631 /nfs/dbraw/zinc/03/66/31/514036631.db2.gz VRXRAHPXNHXEJZ-MRXNPFEDSA-N -1 1 369.808 2.843 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(=O)OCC ZINC000451986579 514112385 /nfs/dbraw/zinc/11/23/85/514112385.db2.gz FMQRQURSSYERJL-CQSZACIVSA-N -1 1 363.838 2.796 20 30 FFEDMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427122116 514122336 /nfs/dbraw/zinc/12/23/36/514122336.db2.gz PDNMPIDODCTUSE-UHFFFAOYSA-N -1 1 361.398 2.638 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000439243093 514512165 /nfs/dbraw/zinc/51/21/65/514512165.db2.gz BHBFWICHJLTJKF-UHFFFAOYSA-N -1 1 370.434 2.676 20 30 FFEDMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1)C(C)=O ZINC000475788943 514810654 /nfs/dbraw/zinc/81/06/54/514810654.db2.gz MCUVHJGKJLKHQJ-UHFFFAOYSA-N -1 1 371.462 2.922 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cc1C#N ZINC000489496013 514872788 /nfs/dbraw/zinc/87/27/88/514872788.db2.gz KLKKQERISLUYFY-AWEZNQCLSA-N -1 1 373.331 2.983 20 30 FFEDMM COc1cc(S(=O)(=O)Nc2ccc(C#N)cc2)c(Cl)cc1C(=O)[O-] ZINC000485286679 514984500 /nfs/dbraw/zinc/98/45/00/514984500.db2.gz HETJTGZVGPWITI-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM C[C@@H](Sc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-] ZINC000504658739 515349764 /nfs/dbraw/zinc/34/97/64/515349764.db2.gz ZWWMLXYCJJFECP-LLVKDONJSA-N -1 1 362.432 2.924 20 30 FFEDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F ZINC000469083769 515662047 /nfs/dbraw/zinc/66/20/47/515662047.db2.gz XYTGUFQRLOFZIZ-JTQLQIEISA-N -1 1 371.178 2.940 20 30 FFEDMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)c2=O ZINC000512050147 516131335 /nfs/dbraw/zinc/13/13/35/516131335.db2.gz RRMSVBSFUOEYNO-INIZCTEOSA-N -1 1 363.421 2.966 20 30 FFEDMM C=C[C@H]1CCCCN1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000488488330 516238251 /nfs/dbraw/zinc/23/82/51/516238251.db2.gz NYIAQFJCFDQKFM-ZDUSSCGKSA-N -1 1 353.444 2.639 20 30 FFEDMM N#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCC1 ZINC000501907053 516262225 /nfs/dbraw/zinc/26/22/25/516262225.db2.gz PNXSQNKLIGEVJI-UHFFFAOYSA-N -1 1 373.409 2.803 20 30 FFEDMM N#CC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CCC1 ZINC000501919278 516265963 /nfs/dbraw/zinc/26/59/63/516265963.db2.gz KVZNDSCZQNGIIK-UHFFFAOYSA-N -1 1 373.409 2.803 20 30 FFEDMM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(C(=O)[O-])c1 ZINC000547910868 516630098 /nfs/dbraw/zinc/63/00/98/516630098.db2.gz XOGRQHMAIPIYCG-UHFFFAOYSA-N -1 1 359.407 2.750 20 30 FFEDMM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000555529280 516954192 /nfs/dbraw/zinc/95/41/92/516954192.db2.gz JCAYYFLFHUNIDH-UHFFFAOYSA-N -1 1 365.484 2.648 20 30 FFEDMM CC1(C)CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])CC1 ZINC000541930592 517298765 /nfs/dbraw/zinc/29/87/65/517298765.db2.gz YOGGCXOBIIMFGA-UHFFFAOYSA-N -1 1 372.393 2.538 20 30 FFEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C ZINC000548977717 517337882 /nfs/dbraw/zinc/33/78/82/517337882.db2.gz XSIHZVUWUUCZNU-UHFFFAOYSA-N -1 1 360.435 2.887 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](C)C#N)c2)cc1 ZINC000520311047 517341920 /nfs/dbraw/zinc/34/19/20/517341920.db2.gz ZWTCHCDDOJBZNJ-CQSZACIVSA-N -1 1 357.435 2.685 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CNC(C)=O)cc2)c1 ZINC000538320139 517563556 /nfs/dbraw/zinc/56/35/56/517563556.db2.gz YQEBQNITWGYQSA-UHFFFAOYSA-N -1 1 360.435 2.688 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000527487123 517703227 /nfs/dbraw/zinc/70/32/27/517703227.db2.gz BYEIGQNAALJGEB-AWEZNQCLSA-N -1 1 350.296 2.746 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(OCC(F)(F)F)c2)o1 ZINC000553857010 517935071 /nfs/dbraw/zinc/93/50/71/517935071.db2.gz MTCZLEONMBNIKN-UHFFFAOYSA-N -1 1 374.340 2.613 20 30 FFEDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-n2cnc(C#N)n2)c(C)c1 ZINC000566887871 518247196 /nfs/dbraw/zinc/24/71/96/518247196.db2.gz NLIDYYOKECVRBP-UHFFFAOYSA-N -1 1 367.434 2.865 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)o1 ZINC000584737946 518454259 /nfs/dbraw/zinc/45/42/59/518454259.db2.gz YRKUGRLGZANCKM-LSDHHAIUSA-N -1 1 368.361 2.708 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(-n3cccn3)c2)n1 ZINC000567512657 518564636 /nfs/dbraw/zinc/56/46/36/518564636.db2.gz CWDRYMAYKQVWRV-CQSZACIVSA-N -1 1 366.402 2.996 20 30 FFEDMM CCc1noc(-c2ccc(CCNC(=O)c3cc([O-])cc(C#N)c3)cc2)n1 ZINC000589178174 518941801 /nfs/dbraw/zinc/94/18/01/518941801.db2.gz CQWUMIUNEIWMMH-UHFFFAOYSA-N -1 1 362.389 2.849 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1F ZINC000589961969 519113940 /nfs/dbraw/zinc/11/39/40/519113940.db2.gz FBIBYFBKCLYJLS-UHFFFAOYSA-N -1 1 356.382 2.743 20 30 FFEDMM COCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000589962955 519114116 /nfs/dbraw/zinc/11/41/16/519114116.db2.gz KUHLIMTYWIAYKT-UHFFFAOYSA-N -1 1 364.398 2.661 20 30 FFEDMM CCc1nc(SC[C@H](O)COc2ccc(CC#N)cc2)[n-]c(=O)c1C ZINC000577627772 519177121 /nfs/dbraw/zinc/17/71/21/519177121.db2.gz HRXVPKRZABCFPX-CQSZACIVSA-N -1 1 359.451 2.651 20 30 FFEDMM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000603595640 520321159 /nfs/dbraw/zinc/32/11/59/520321159.db2.gz XXEZXCBEUXXURR-UHFFFAOYSA-N -1 1 372.812 2.745 20 30 FFEDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1F ZINC000600667774 520385563 /nfs/dbraw/zinc/38/55/63/520385563.db2.gz HUAGYWKPWHNWBV-HWPZZCPQSA-N -1 1 372.393 2.502 20 30 FFEDMM COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)CCC2 ZINC000598106338 520426519 /nfs/dbraw/zinc/42/65/19/520426519.db2.gz OYEOLMDOXWAJNT-QGZVFWFLSA-N -1 1 364.401 2.900 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C#N)CCCCC2)o1 ZINC000598307772 520550079 /nfs/dbraw/zinc/55/00/79/520550079.db2.gz WBTNIEKRSIVOGI-UHFFFAOYSA-N -1 1 367.471 2.560 20 30 FFEDMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)n2)o1 ZINC000611522358 521200408 /nfs/dbraw/zinc/20/04/08/521200408.db2.gz YFYWIQIMBXRSAT-OAHLLOKOSA-N -1 1 362.393 2.852 20 30 FFEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2)no1 ZINC000619462243 521581130 /nfs/dbraw/zinc/58/11/30/521581130.db2.gz UNGGLUXZKWFIBO-UHFFFAOYSA-N -1 1 354.391 2.912 20 30 FFEDMM C=C[C@H](C(=O)OC)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000619717133 521836177 /nfs/dbraw/zinc/83/61/77/521836177.db2.gz ABDSLUVIGKCQLD-GOSISDBHSA-N -1 1 374.462 2.647 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000619732952 521843554 /nfs/dbraw/zinc/84/35/54/521843554.db2.gz MWIJFMJBUCBGSJ-LJQANCHMSA-N -1 1 359.385 2.597 20 30 FFEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc2C1 ZINC000736280203 598980167 /nfs/dbraw/zinc/98/01/67/598980167.db2.gz OKSAWFYIASAJJY-SECBINFHSA-N -1 1 365.422 2.572 20 30 FFEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc2C1 ZINC000736280203 598980168 /nfs/dbraw/zinc/98/01/68/598980168.db2.gz OKSAWFYIASAJJY-SECBINFHSA-N -1 1 365.422 2.572 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817733672 597072056 /nfs/dbraw/zinc/07/20/56/597072056.db2.gz QOOXRNLGHSNJIM-GJZGRUSLSA-N -1 1 361.417 2.648 20 30 FFEDMM COc1ccc2c(c1)CC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)CC2 ZINC000826212273 607783064 /nfs/dbraw/zinc/78/30/64/607783064.db2.gz LJDUROZBRKZTAI-UHFFFAOYSA-N -1 1 367.413 2.944 20 30 FFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736215128 600304550 /nfs/dbraw/zinc/30/45/50/600304550.db2.gz JALNGYZBKKLBQV-RISCZKNCSA-N -1 1 361.829 2.725 20 30 FFEDMM CN(Cc1cc(Br)cn1C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830806312 602248282 /nfs/dbraw/zinc/24/82/82/602248282.db2.gz LDBVLSBAPLPQAC-HNNXBMFYSA-N -1 1 362.227 2.917 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738491569 602529962 /nfs/dbraw/zinc/52/99/62/602529962.db2.gz KICRUWNXLGULRB-LSDHHAIUSA-N -1 1 365.499 2.583 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738491567 602529988 /nfs/dbraw/zinc/52/99/88/602529988.db2.gz KICRUWNXLGULRB-HUUCEWRRSA-N -1 1 365.499 2.583 20 30 FFEDMM C#CCN1CCC(C(=O)N(c2ccc(CNC(=O)[O-])cc2C)C2CC2)CC1 ZINC000738459843 603428828 /nfs/dbraw/zinc/42/88/28/603428828.db2.gz GFLZZEJLXORTHX-UHFFFAOYSA-N -1 1 369.465 2.603 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CN(C)C2CCN(C(=O)[O-])CC2)c1C ZINC000830505441 603978927 /nfs/dbraw/zinc/97/89/27/603978927.db2.gz JMMGQRHZPBGZFZ-UHFFFAOYSA-N -1 1 372.469 2.624 20 30 FFEDMM COc1ccc2c(c1)C(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)CC2 ZINC000821849952 606166069 /nfs/dbraw/zinc/16/60/69/606166069.db2.gz UEPDHUAZJHXYKC-UHFFFAOYSA-N -1 1 367.413 2.923 20 30 FFEDMM C=CCCCC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000819735013 606236126 /nfs/dbraw/zinc/23/61/26/606236126.db2.gz YOXABOQDBFGHHR-UHFFFAOYSA-N -1 1 352.398 2.760 20 30 FFEDMM COc1cccc2c1CCC2N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000821877834 607111227 /nfs/dbraw/zinc/11/12/27/607111227.db2.gz WWGRUEORKIWAGL-UHFFFAOYSA-N -1 1 353.386 2.749 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(-n3cccn3)c2)o1 ZINC000820201908 607148192 /nfs/dbraw/zinc/14/81/92/607148192.db2.gz CAZBIYWBIACFAV-UHFFFAOYSA-N -1 1 363.385 2.610 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cn(C)c3ccccc23)o1 ZINC000824281005 607886509 /nfs/dbraw/zinc/88/65/09/607886509.db2.gz WXWQTIDUWSSCIV-UHFFFAOYSA-N -1 1 364.413 2.991 20 30 FFEDMM CCCn1nc(C)c(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1C ZINC000825361573 607886650 /nfs/dbraw/zinc/88/66/50/607886650.db2.gz FPITUUNYJICYCM-UHFFFAOYSA-N -1 1 371.449 2.723 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1O ZINC000826178835 608092629 /nfs/dbraw/zinc/09/26/29/608092629.db2.gz OLOLWLIUXQYQAI-ONEGZZNKSA-N -1 1 358.379 2.547 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1O ZINC000826178835 608092630 /nfs/dbraw/zinc/09/26/30/608092630.db2.gz OLOLWLIUXQYQAI-ONEGZZNKSA-N -1 1 358.379 2.547 20 30 FFEDMM O=C(C=Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401175 608092937 /nfs/dbraw/zinc/09/29/37/608092937.db2.gz RNGSETGDSWMYCL-ZZXKWVIFSA-N -1 1 367.434 2.661 20 30 FFEDMM O=C(C=Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401175 608092938 /nfs/dbraw/zinc/09/29/38/608092938.db2.gz RNGSETGDSWMYCL-ZZXKWVIFSA-N -1 1 367.434 2.661 20 30 FFEDMM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826403376 608094048 /nfs/dbraw/zinc/09/40/48/608094048.db2.gz QIGTYXFLIUHQBR-RJRFIUFISA-N -1 1 354.317 2.583 20 30 FFEDMM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C#N)s1 ZINC000824129654 608347867 /nfs/dbraw/zinc/34/78/67/608347867.db2.gz CZZYBUBLUMNBCK-UHFFFAOYSA-N -1 1 353.411 2.745 20 30 FFEDMM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C#N)s1 ZINC000824129654 608347868 /nfs/dbraw/zinc/34/78/68/608347868.db2.gz CZZYBUBLUMNBCK-UHFFFAOYSA-N -1 1 353.411 2.745 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC000826178778 608883398 /nfs/dbraw/zinc/88/33/98/608883398.db2.gz MGNFZGFJEUENOA-HWKANZROSA-N -1 1 357.351 2.741 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC000826178778 608883401 /nfs/dbraw/zinc/88/34/01/608883401.db2.gz MGNFZGFJEUENOA-HWKANZROSA-N -1 1 357.351 2.741 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(C#N)c(F)c2)o1 ZINC000823963137 609159840 /nfs/dbraw/zinc/15/98/40/609159840.db2.gz WJFYMPSEAOJCFN-UHFFFAOYSA-N -1 1 368.376 2.900 20 30 FFEDMM C=CCN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(C)C ZINC000823903675 609362800 /nfs/dbraw/zinc/36/28/00/609362800.db2.gz HFTDVHFSMRTULW-UHFFFAOYSA-N -1 1 370.392 2.620 20 30 FFEDMM N#CCCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826381209 609608572 /nfs/dbraw/zinc/60/85/72/609608572.db2.gz BNZATNVLGYSPQD-UHFFFAOYSA-N -1 1 367.438 2.698 20 30 FFEDMM CC(C)n1c(C2CCN(C(=O)c3ccc(C#N)cn3)CC2)n[n-]c1=S ZINC000068447155 728191436 /nfs/dbraw/zinc/19/14/36/728191436.db2.gz FKXQBTWIGYCXRL-UHFFFAOYSA-N -1 1 356.455 2.808 20 30 FFEDMM C#Cc1cccc(NC(=S)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)c1 ZINC000899666466 735541081 /nfs/dbraw/zinc/54/10/81/735541081.db2.gz KIZOEQMQZBGQFJ-CQSZACIVSA-N -1 1 354.435 2.706 20 30 FFEDMM N#CCOc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000179169436 729179454 /nfs/dbraw/zinc/17/94/54/729179454.db2.gz DWJQGKZXAAAVRM-UHFFFAOYSA-N -1 1 361.195 2.987 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000185345941 729347565 /nfs/dbraw/zinc/34/75/65/729347565.db2.gz UZEJRINBIIZOHW-HNNXBMFYSA-N -1 1 356.447 2.856 20 30 FFEDMM CC(=NN[C@@H]1CCOC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863110375 730750586 /nfs/dbraw/zinc/75/05/86/730750586.db2.gz QKIOZSMKCCNRQW-QGZVFWFLSA-N -1 1 359.451 2.590 20 30 FFEDMM C=CCC[C@H](O)CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000652489702 731200803 /nfs/dbraw/zinc/20/08/03/731200803.db2.gz GLEBWYCNFYLNBZ-SWLSCSKDSA-N -1 1 354.244 2.588 20 30 FFEDMM C=CCOCCCC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870161454 731476893 /nfs/dbraw/zinc/47/68/93/731476893.db2.gz JWBQMEVAXDKYNA-UHFFFAOYSA-N -1 1 352.862 2.673 20 30 FFEDMM CC(C)(C#N)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315051 731618665 /nfs/dbraw/zinc/61/86/65/731618665.db2.gz UYRVRAHQEWKFTN-LLVKDONJSA-N -1 1 353.344 2.735 20 30 FFEDMM C[C@@H]1CO[C@H](C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000892424544 734557777 /nfs/dbraw/zinc/55/77/77/734557777.db2.gz PZTAVPZPJRRZBG-DLOVCJGASA-N -1 1 357.435 2.877 20 30 FFEDMM CC(=NNc1ncnc2nc[nH]c21)c1cc(Br)cc(F)c1[O-] ZINC000783832303 738840610 /nfs/dbraw/zinc/84/06/10/738840610.db2.gz FMAVOERYPHLJQE-UHFFFAOYSA-N -1 1 365.166 2.796 20 30 FFEDMM N#Cc1ccc([C@H](OC(=O)c2ccc(Cl)c(Cl)c2[O-])C(N)=O)cc1 ZINC000734583050 734904644 /nfs/dbraw/zinc/90/46/44/734904644.db2.gz QGJQSBWCBZMSBF-AWEZNQCLSA-N -1 1 365.172 2.954 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=C2CCOc3c(F)cc(Br)cc32)n1 ZINC000741448820 735143674 /nfs/dbraw/zinc/14/36/74/735143674.db2.gz GTGNMIIISJKPMS-UHFFFAOYSA-N -1 1 367.178 2.991 20 30 FFEDMM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000747613132 735574279 /nfs/dbraw/zinc/57/42/79/735574279.db2.gz BRXANFOEBQFYIY-RUDMXATFSA-N -1 1 360.366 2.684 20 30 FFEDMM CC(C)COC[C@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC000900047572 735593856 /nfs/dbraw/zinc/59/38/56/735593856.db2.gz PFAANXAWURHLJO-AWEZNQCLSA-N -1 1 355.232 2.536 20 30 FFEDMM N#Cc1cccc(C2([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)c1 ZINC000747888600 735601509 /nfs/dbraw/zinc/60/15/09/735601509.db2.gz SKUSRKHJXUITSE-UHFFFAOYSA-N -1 1 361.354 2.573 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C#N)s2)cc1OC ZINC000750687321 735809629 /nfs/dbraw/zinc/80/96/29/735809629.db2.gz MQEAJXPJNZMJJU-LBPRGKRZSA-N -1 1 355.375 2.598 20 30 FFEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccc2c1OC(C)(C)C[C@@H]2O ZINC000901961682 735879025 /nfs/dbraw/zinc/87/90/25/735879025.db2.gz GPOVQOAMOQXWMA-AWEZNQCLSA-N -1 1 352.456 2.963 20 30 FFEDMM C=CCOc1c(Cl)cc(CN2CC[C@@H](OC)C[C@@H]2C(=O)[O-])cc1OC ZINC000902031922 735895829 /nfs/dbraw/zinc/89/58/29/735895829.db2.gz IKJUGBMDSWODPO-UKRRQHHQSA-N -1 1 369.845 2.977 20 30 FFEDMM C#CCC[C@H](O)C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902931178 736010234 /nfs/dbraw/zinc/01/02/34/736010234.db2.gz NVEVVLOIBAQBGF-VIFPVBQESA-N -1 1 370.705 2.736 20 30 FFEDMM CC(C)(C)C1N=NC(=S)N1N=Cc1cc(O)c([O-])c(Br)c1 ZINC000757560862 736409917 /nfs/dbraw/zinc/40/99/17/736409917.db2.gz PPALQIHYCRGKSB-UHFFFAOYSA-N -1 1 371.260 2.920 20 30 FFEDMM C=C(C)C[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124049 736887826 /nfs/dbraw/zinc/88/78/26/736887826.db2.gz KJRWGFPPQWXYMW-CABCVRRESA-N -1 1 353.850 2.661 20 30 FFEDMM C#CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000764446737 737018591 /nfs/dbraw/zinc/01/85/91/737018591.db2.gz JORMGOXBZZVWEV-UHFFFAOYSA-N -1 1 354.431 2.725 20 30 FFEDMM CC(=NNCC(C)(C)S(C)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000766028718 737184831 /nfs/dbraw/zinc/18/48/31/737184831.db2.gz GKZHYERKIPGTIR-UHFFFAOYSA-N -1 1 353.271 2.836 20 30 FFEDMM O=C([N-]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000769612314 737546912 /nfs/dbraw/zinc/54/69/12/737546912.db2.gz FKZUMIBGGNDKET-SECBINFHSA-N -1 1 361.257 2.873 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(N3CCCCC3)s2)c2ccccc21 ZINC000914600070 737586051 /nfs/dbraw/zinc/58/60/51/737586051.db2.gz NARAKHZJVTXHBQ-UHFFFAOYSA-N -1 1 374.491 2.811 20 30 FFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(I)cc1 ZINC000916241645 737689256 /nfs/dbraw/zinc/68/92/56/737689256.db2.gz NYTLBIYTJBORSP-UHFFFAOYSA-N -1 1 368.178 2.931 20 30 FFEDMM Cc1cnc(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000775209853 738073577 /nfs/dbraw/zinc/07/35/77/738073577.db2.gz BHSUJRNUBZGLMM-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM N#CC1(COC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000775833725 738129931 /nfs/dbraw/zinc/12/99/31/738129931.db2.gz XNACYDNGGGTTKH-UHFFFAOYSA-N -1 1 356.403 2.948 20 30 FFEDMM C#CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000790966859 739519441 /nfs/dbraw/zinc/51/94/41/739519441.db2.gz YANYMEBBKGBRDY-UHFFFAOYSA-N -1 1 356.447 2.809 20 30 FFEDMM C#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000790966763 739519630 /nfs/dbraw/zinc/51/96/30/739519630.db2.gz XYTBOLWBKUBRFM-UHFFFAOYSA-N -1 1 360.410 2.640 20 30 FFEDMM CC(=NNc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000793182179 739748967 /nfs/dbraw/zinc/74/89/67/739748967.db2.gz BFTPTCDLDLXIGC-UHFFFAOYSA-N -1 1 351.403 2.618 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)c1 ZINC000794582136 739907240 /nfs/dbraw/zinc/90/72/40/739907240.db2.gz YVLUJSNBANHJHO-UHFFFAOYSA-N -1 1 357.391 2.510 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C/C=C/c1ccc(F)c(F)c1 ZINC000794915374 739942379 /nfs/dbraw/zinc/94/23/79/739942379.db2.gz NWARHRIWIISTMZ-SULFSDHOSA-N -1 1 367.333 2.851 20 30 FFEDMM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000798226700 740314627 /nfs/dbraw/zinc/31/46/27/740314627.db2.gz SVMRKUPPQJGHCD-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)CCSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000809986620 741370379 /nfs/dbraw/zinc/37/03/79/741370379.db2.gz LEPKVZBHPAAEAZ-UHFFFAOYSA-N -1 1 371.390 2.557 20 30 FFEDMM CN(C)c1ncc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cn1 ZINC000814767315 741863296 /nfs/dbraw/zinc/86/32/96/741863296.db2.gz HDKPNQKWVGUWRM-UHFFFAOYSA-N -1 1 371.495 2.597 20 30 FFEDMM CC1(C)CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)c2sccc2O1 ZINC000814798596 741866152 /nfs/dbraw/zinc/86/61/52/741866152.db2.gz IVBPXLUJDMEBMA-UHFFFAOYSA-N -1 1 361.448 2.752 20 30 FFEDMM CC(C)(C)[C@@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000814865465 741870979 /nfs/dbraw/zinc/87/09/79/741870979.db2.gz SGNWEFYZFPCEPJ-ZDUSSCGKSA-N -1 1 357.457 2.781 20 30 FFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OC[C@@H]2CCOC2)s1 ZINC000819509801 742399961 /nfs/dbraw/zinc/39/99/61/742399961.db2.gz IDQYVYQHABENBM-LLVKDONJSA-N -1 1 362.904 2.923 20 30 FFEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)NCCCCC#N)c1 ZINC000836742773 746295307 /nfs/dbraw/zinc/29/53/07/746295307.db2.gz NDELNNIAVIFUON-UHFFFAOYSA-N -1 1 356.348 2.989 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Oc2cccc(OCC#N)c2)c(=O)[n-]1 ZINC000841342900 747320555 /nfs/dbraw/zinc/32/05/55/747320555.db2.gz RLJQVJQVQORQQW-UHFFFAOYSA-N -1 1 359.407 2.653 20 30 FFEDMM [O-]c1cccc(C=NN2C(=S)N=NC2[C@H]2CCCO2)c1Br ZINC000841613928 747419713 /nfs/dbraw/zinc/41/97/13/747419713.db2.gz JIQUDORUPHUZIX-SNVBAGLBSA-N -1 1 369.244 2.769 20 30 FFEDMM N#CCCCCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000847087657 748618681 /nfs/dbraw/zinc/61/86/81/748618681.db2.gz YGWKJEIMEPKAEF-CYBMUJFWSA-N -1 1 353.344 2.707 20 30 FFEDMM C=C(C)CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC000852522278 749882984 /nfs/dbraw/zinc/88/29/84/749882984.db2.gz YOZGCLBDGJXWDX-CHWSQXEVSA-N -1 1 364.408 2.806 20 30 FFEDMM N#CC1(CN2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)CC1 ZINC000852673272 749920512 /nfs/dbraw/zinc/92/05/12/749920512.db2.gz GDQVONMRBUCYKQ-HUUCEWRRSA-N -1 1 351.372 2.827 20 30 FFEDMM C=C[C@H](CC)CC(=O)N[C@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573314710 947235907 /nfs/dbraw/zinc/23/59/07/947235907.db2.gz FFTRWWHYIDUEPT-ZYHUDNBSSA-N -1 1 363.491 2.541 20 30 FFEDMM CC#CCN(C)C(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001573358535 947664326 /nfs/dbraw/zinc/66/43/26/947664326.db2.gz LMNILGJRGNIKEP-UHFFFAOYSA-N -1 1 363.381 2.541 20 30 FFEDMM CC#CCN(C)C(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001573358535 947664333 /nfs/dbraw/zinc/66/43/33/947664333.db2.gz LMNILGJRGNIKEP-UHFFFAOYSA-N -1 1 363.381 2.541 20 30 FFEDMM N#Cc1[n-]c(NC(=O)CCCc2ccc3ccccc3c2)nc1-c1nn[nH]n1 ZINC000826382665 948180063 /nfs/dbraw/zinc/18/00/63/948180063.db2.gz PKVPRPDAFWAUCC-UHFFFAOYSA-N -1 1 372.392 2.576 20 30 FFEDMM COCCn1cc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cn1 ZINC001174549648 1013256365 /nfs/dbraw/zinc/25/63/65/1013256365.db2.gz CANYBBUIXCVYET-GIJQJNRQSA-N -1 1 370.438 2.808 20 30 FFEDMM O=C(CCc1cn[nH]c1)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001175906480 1013586574 /nfs/dbraw/zinc/58/65/74/1013586574.db2.gz NEXKGFCXMYFPFW-QGMBQPNBSA-N -1 1 368.422 2.516 20 30 FFEDMM [O-]N=Cc1cc(Br)cc(Br)c1OC1CC(O)C1 ZINC001218260353 969598234 /nfs/dbraw/zinc/59/82/34/969598234.db2.gz QQLJJJNYXAQXGH-UHFFFAOYSA-N -1 1 365.021 2.922 20 30 FFEDMM COCc1cccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000049393297 975093306 /nfs/dbraw/zinc/09/33/06/975093306.db2.gz ZWMAACCOBBUDGB-INIZCTEOSA-N -1 1 374.404 2.834 20 30 FFEDMM COc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)ccc1CC#N ZINC001167935598 978189355 /nfs/dbraw/zinc/18/93/55/978189355.db2.gz BEQDWYLGYLJAIH-UHFFFAOYSA-N -1 1 358.334 2.846 20 30 FFEDMM C#CC[C@@H](NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC)C(=O)[O-] ZINC000910050032 981794074 /nfs/dbraw/zinc/79/40/74/981794074.db2.gz CIAVEWWBJXFTOF-HUUCEWRRSA-N -1 1 370.371 2.681 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000912065303 983947256 /nfs/dbraw/zinc/94/72/56/983947256.db2.gz ZPJCCKTZRKWCTP-TVZXQDJASA-N -1 1 371.403 2.764 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H]2CC(=O)[O-])c1C#N ZINC001599973481 986048638 /nfs/dbraw/zinc/04/86/38/986048638.db2.gz VNGOLCZCLJMACC-MRXNPFEDSA-N -1 1 372.469 2.969 20 30 FFEDMM C#C[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(Cl)cc1 ZINC000812353822 995411542 /nfs/dbraw/zinc/41/15/42/995411542.db2.gz ZLUAKCOHARFLDR-INIZCTEOSA-N -1 1 368.824 2.738 20 30 FFEDMM COC(=O)c1cc(C(C)=O)c(NC(=O)CSCc2ccc(C#N)cc2)[n-]1 ZINC001133685851 995655386 /nfs/dbraw/zinc/65/53/86/995655386.db2.gz HRWBIXHRTBAGEN-UHFFFAOYSA-N -1 1 371.418 2.747 20 30 FFEDMM C#CC[C@H]1CCCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000844002002 997597395 /nfs/dbraw/zinc/59/73/95/997597395.db2.gz RPPMZWKZJWUXPD-INIZCTEOSA-N -1 1 364.449 2.747 20 30 FFEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1[C@@H]3CCCO[C@@H]3C1(C)C)nc2=O ZINC000769811738 1000610338 /nfs/dbraw/zinc/61/03/38/1000610338.db2.gz DBIUHCDAAPBBKE-GWCFXTLKSA-N -1 1 358.446 2.890 20 30 FFEDMM Cc1cc(=O)n(-c2ccc(C(=O)N(CCC#N)Cc3cccnc3)cc2)[n-]1 ZINC001148329012 1001116382 /nfs/dbraw/zinc/11/63/82/1001116382.db2.gz FUEIOZQSGOXVEF-UHFFFAOYSA-N -1 1 361.405 2.750 20 30 FFEDMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@H](C)C#N ZINC001148810342 1001216275 /nfs/dbraw/zinc/21/62/75/1001216275.db2.gz CSQGMESPVFLOKQ-CQSZACIVSA-N -1 1 357.435 2.862 20 30 FFEDMM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000785519771 1001447792 /nfs/dbraw/zinc/44/77/92/1001447792.db2.gz OLBSYUIWKJWKNG-KRWDZBQOSA-N -1 1 365.389 2.516 20 30 FFEDMM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000785519773 1001447808 /nfs/dbraw/zinc/44/78/08/1001447808.db2.gz OLBSYUIWKJWKNG-QGZVFWFLSA-N -1 1 365.389 2.516 20 30 FFEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000785626227 1001463847 /nfs/dbraw/zinc/46/38/47/1001463847.db2.gz UURVLFLYEPDBNG-STQMWFEESA-N -1 1 359.426 2.734 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)C1(O)c2ccccc2-c2ccccc21 ZINC001182858338 1002074296 /nfs/dbraw/zinc/07/42/96/1002074296.db2.gz HFCCCUWSHLFOLE-UHFFFAOYSA-N -1 1 359.385 2.728 20 30 FFEDMM CC(=O)SC[C@H](Cc1ccccc1)C(=O)N([O-])C(=N)c1ccccc1N ZINC001183125807 1002157685 /nfs/dbraw/zinc/15/76/85/1002157685.db2.gz IOXKWAFMQXDNMY-HNNXBMFYSA-N -1 1 371.462 2.951 20 30 FFEDMM Cc1cc(C)c(N2CC[C@H](NC(=O)c3cc([O-])cc(C#N)c3)C2=O)c(C)c1 ZINC000789895209 1002229190 /nfs/dbraw/zinc/22/91/90/1002229190.db2.gz RUPQLTUYNKVECQ-SFHVURJKSA-N -1 1 363.417 2.724 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H](CC(=O)N([O-])C(=N)c1ccccc1N)C1CC1 ZINC001183685737 1002350590 /nfs/dbraw/zinc/35/05/90/1002350590.db2.gz ZPFHJNDYCZGRHT-AWEZNQCLSA-N -1 1 362.430 2.505 20 30 FFEDMM CC(C)N(C)Cc1cnc2n1CCN(C(=O)CCC(=O)C1=CC=C[CH]1)[C@@H]2C ZINC001184244303 1002537170 /nfs/dbraw/zinc/53/71/70/1002537170.db2.gz HSQWIZSKGIPCGY-MRXNPFEDSA-N -1 1 369.489 2.676 20 30 FFEDMM C#CCC[N-]S(=O)(=O)c1cc(Br)c(Br)s1 ZINC001184626254 1002665981 /nfs/dbraw/zinc/66/59/81/1002665981.db2.gz GVFWPROQTCQXAR-UHFFFAOYSA-N -1 1 373.091 2.575 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1ccc(C#N)c(F)c1 ZINC000791354703 1002676192 /nfs/dbraw/zinc/67/61/92/1002676192.db2.gz JRGOUNHBQJDSLC-UHFFFAOYSA-N -1 1 368.368 2.739 20 30 FFEDMM CC(C)(C)c1nc2c(o1)c(C#N)cnc2Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170226331 1003072727 /nfs/dbraw/zinc/07/27/27/1003072727.db2.gz HUOMGORCWGVAQP-UHFFFAOYSA-N -1 1 350.342 2.507 20 30 FFEDMM N#CC1(c2cccc(NCC(=O)c3ccc([O-])c(O)c3)c2)CCOCC1 ZINC001170321688 1003110574 /nfs/dbraw/zinc/11/05/74/1003110574.db2.gz CXWYJPBJIWERCH-UHFFFAOYSA-N -1 1 352.390 2.964 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186745299 1003405658 /nfs/dbraw/zinc/40/56/58/1003405658.db2.gz TUQCFGVHKBFLTM-UHFFFAOYSA-N -1 1 352.200 2.809 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC(=O)C(F)(F)C3)c2)c1 ZINC001196315271 1003732966 /nfs/dbraw/zinc/73/29/66/1003732966.db2.gz AQDWUNDEVNAABE-UHFFFAOYSA-N -1 1 356.328 2.981 20 30 FFEDMM CN(CCC1OCCO1)C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196315773 1003734979 /nfs/dbraw/zinc/73/49/79/1003734979.db2.gz KMIKDIOUTRGVQF-UHFFFAOYSA-N -1 1 352.390 2.766 20 30 FFEDMM Cn1cnc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c2ncnc1-2 ZINC001196297940 1003739614 /nfs/dbraw/zinc/73/96/14/1003739614.db2.gz PSZMRUNSRMRFRF-UHFFFAOYSA-N -1 1 370.372 2.811 20 30 FFEDMM O=C(/C=C/NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1)C(F)(F)F ZINC001191510574 1003859371 /nfs/dbraw/zinc/85/93/71/1003859371.db2.gz QQDGCMXSECFDMI-MDZDMXLPSA-N -1 1 363.291 2.998 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(-c3ccccc3)cc2)o1 ZINC000805064247 1003933094 /nfs/dbraw/zinc/93/30/94/1003933094.db2.gz KWOWIEWAEPURJL-SFHVURJKSA-N -1 1 368.414 2.830 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ncccc2F)ccc1Br ZINC001197279128 1004161569 /nfs/dbraw/zinc/16/15/69/1004161569.db2.gz KSPWJNUYDVZWCE-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM N#Cc1cnc(NC(=O)c2c(F)ccc([O-])c2F)c(Br)c1 ZINC001192523439 1004186213 /nfs/dbraw/zinc/18/62/13/1004186213.db2.gz AYNOYXBYZDOSBN-UHFFFAOYSA-N -1 1 354.110 2.952 20 30 FFEDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccccc1OCC#N ZINC001212604486 1004213132 /nfs/dbraw/zinc/21/31/32/1004213132.db2.gz GGHVYIXJPIHNDP-UHFFFAOYSA-N -1 1 356.407 2.950 20 30 FFEDMM N#CCS(=O)(=O)[N-]c1cccc2c1[C@H]1Cc3ccccc3CN1CC2 ZINC001192980415 1004347144 /nfs/dbraw/zinc/34/71/44/1004347144.db2.gz JKMBSROGMFLHHV-GOSISDBHSA-N -1 1 353.447 2.607 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1C1CCOCC1 ZINC001193112275 1004377074 /nfs/dbraw/zinc/37/70/74/1004377074.db2.gz PZTYDUGTSOTQJL-CYBMUJFWSA-N -1 1 360.439 2.555 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnccc2Br)c1 ZINC001193644432 1004534091 /nfs/dbraw/zinc/53/40/91/1004534091.db2.gz GQAOCTLOOQNCPS-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC001194088340 1004657076 /nfs/dbraw/zinc/65/70/76/1004657076.db2.gz PCFUWCGXRFTWBT-SSDOTTSWSA-N -1 1 374.709 2.769 20 30 FFEDMM C#CCC1([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCC1 ZINC001195197808 1004914931 /nfs/dbraw/zinc/91/49/31/1004914931.db2.gz NQCKAFGCEOZRGL-UHFFFAOYSA-N -1 1 363.664 2.722 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1nccn1Cc1ccccc1F ZINC001199468359 1004941452 /nfs/dbraw/zinc/94/14/52/1004941452.db2.gz SAZYETGBRNWGGG-UHFFFAOYSA-N -1 1 353.357 2.510 20 30 FFEDMM CCOC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201324181 1005200451 /nfs/dbraw/zinc/20/04/51/1005200451.db2.gz WNOGKIAXBSQWRJ-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM COCC(Cc1ccccc1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000814846481 1006447504 /nfs/dbraw/zinc/44/75/04/1006447504.db2.gz GDFUEQADCPJJKC-UHFFFAOYSA-N -1 1 368.441 2.944 20 30 FFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001152416236 1032162155 /nfs/dbraw/zinc/16/21/55/1032162155.db2.gz MHZALOPDTNYBGQ-LSDHHAIUSA-N -1 1 373.409 2.811 20 30 FFEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)o1 ZINC000815908499 1006819517 /nfs/dbraw/zinc/81/95/17/1006819517.db2.gz CQDXJZFJUPLHDT-LBPRGKRZSA-N -1 1 357.366 2.524 20 30 FFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189055401 1006872962 /nfs/dbraw/zinc/87/29/62/1006872962.db2.gz XHFCHDDNWAOWPW-MRVPVSSYSA-N -1 1 367.215 2.944 20 30 FFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1C#N ZINC001189233118 1006963309 /nfs/dbraw/zinc/96/33/09/1006963309.db2.gz ZITVILDFLXDOQG-UHFFFAOYSA-N -1 1 357.391 2.520 20 30 FFEDMM N#Cc1c(Cl)c(F)cc(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)c1Cl ZINC001189855450 1007334688 /nfs/dbraw/zinc/33/46/88/1007334688.db2.gz NBTBBJDOTAGOJO-UHFFFAOYSA-N -1 1 367.127 2.628 20 30 FFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000857315689 1008120576 /nfs/dbraw/zinc/12/05/76/1008120576.db2.gz DKLLXAOFJHQRLH-CQSZACIVSA-N -1 1 357.410 2.548 20 30 FFEDMM CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc([O-])cc(C#N)c1)C2 ZINC000857415432 1008140913 /nfs/dbraw/zinc/14/09/13/1008140913.db2.gz GRXVKGOKRDSVEQ-YWZLYKJASA-N -1 1 371.437 2.783 20 30 FFEDMM COC(=O)CC1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000863093045 1010108756 /nfs/dbraw/zinc/10/87/56/1010108756.db2.gz UZYYVDRFZVOUOD-UHFFFAOYSA-N -1 1 374.445 2.808 20 30 FFEDMM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c(F)c1 ZINC000773972770 1010376321 /nfs/dbraw/zinc/37/63/21/1010376321.db2.gz ACDIXZSLYCTPCS-HNNXBMFYSA-N -1 1 354.337 2.882 20 30 FFEDMM N#C[C@H](C(=O)C[C@@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000119869049 1010391258 /nfs/dbraw/zinc/39/12/58/1010391258.db2.gz YLNHSYBHQFHODV-WCQYABFASA-N -1 1 371.462 2.999 20 30 FFEDMM Cn1ncc(C#N)c1N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000866143097 1010937093 /nfs/dbraw/zinc/93/70/93/1010937093.db2.gz MRNHTDKWCADCEE-NSHDSACASA-N -1 1 363.343 2.596 20 30 FFEDMM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1c(F)ccc([O-])c1F ZINC001274851031 1011697567 /nfs/dbraw/zinc/69/75/67/1011697567.db2.gz ZYJLENDAJQCNCL-IBGZPJMESA-N -1 1 364.392 2.844 20 30 FFEDMM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1cccc([O-])c1Cl)CC2 ZINC001276391677 1032697382 /nfs/dbraw/zinc/69/73/82/1032697382.db2.gz YFMYRPZRBXOIIM-AWEZNQCLSA-N -1 1 362.857 2.980 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1[O-] ZINC000682383883 1018801680 /nfs/dbraw/zinc/80/16/80/1018801680.db2.gz JIBWXTWNUQLVEA-UHFFFAOYSA-N -1 1 350.374 2.705 20 30 FFEDMM COc1ccc(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1C#N ZINC000801326266 1018845429 /nfs/dbraw/zinc/84/54/29/1018845429.db2.gz YPXRCDUWPIVGPU-UHFFFAOYSA-N -1 1 367.336 2.954 20 30 FFEDMM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)o1 ZINC000796742777 1019213139 /nfs/dbraw/zinc/21/31/39/1019213139.db2.gz CUQJMKWLRIAQLN-ZDUSSCGKSA-N -1 1 371.393 2.914 20 30 FFEDMM Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])c1C#N ZINC001048127637 1019912099 /nfs/dbraw/zinc/91/20/99/1019912099.db2.gz NNOOFRSOBQRMET-YPMHNXCESA-N -1 1 371.466 2.777 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1 ZINC000726737230 1020513766 /nfs/dbraw/zinc/51/37/66/1020513766.db2.gz MCMPDRQZDMEXIQ-UHFFFAOYSA-N -1 1 372.381 2.747 20 30 FFEDMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Nc2ccc(CCC#N)cc2)C1 ZINC000932559390 1020833319 /nfs/dbraw/zinc/83/33/19/1020833319.db2.gz HIHXEXXZYTYEBH-INIZCTEOSA-N -1 1 368.359 2.818 20 30 FFEDMM C[C@@H]1CC(=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)CN1C1CC1 ZINC000753955448 1023406200 /nfs/dbraw/zinc/40/62/00/1023406200.db2.gz OWVJZHBFBFNMOP-BZNIZROVSA-N -1 1 371.466 2.540 20 30 FFEDMM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)OC ZINC001122842750 1023508636 /nfs/dbraw/zinc/50/86/36/1023508636.db2.gz KFZBXGXBKVHYLA-CQSZACIVSA-N -1 1 363.838 2.796 20 30 FFEDMM O=C(/C=C/c1ccc(O)c(O)c1)c1ccc([O-])cc1OC[C@H]1C[C@H](O)C1 ZINC001218427548 1033150799 /nfs/dbraw/zinc/15/07/99/1033150799.db2.gz GMGDTQPBGGZCTJ-IKQQYPNMSA-N -1 1 356.374 2.849 20 30 FFEDMM COc1cc(/C=C/C(=O)c2ccccc2O)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000757476701 1023823662 /nfs/dbraw/zinc/82/36/62/1023823662.db2.gz YWQMOYUQIXQTEV-VOTSOKGWSA-N -1 1 373.317 2.669 20 30 FFEDMM Cc1cccc2nc(Cl)c(C#N)c(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)c12 ZINC001159192379 1027306154 /nfs/dbraw/zinc/30/61/54/1027306154.db2.gz NVXCRFOSCJLPMW-UHFFFAOYSA-N -1 1 367.756 2.841 20 30 FFEDMM N#Cc1cccc(O[N-]C(=O)CCN2C(=S)N=NC2c2cccs2)c1 ZINC001161727831 1028294937 /nfs/dbraw/zinc/29/49/37/1028294937.db2.gz WYBIKJBOKKVXFU-UHFFFAOYSA-N -1 1 371.447 2.667 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N3CCC[C@H]3c3nccs3)cc(=O)c2c1 ZINC001154555994 1028351215 /nfs/dbraw/zinc/35/12/15/1028351215.db2.gz LBYVAJJWOPQBOV-HNNXBMFYSA-N -1 1 350.403 2.834 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N(C3CCC3)C3CCOCC3)cc(=O)c2c1 ZINC001154556223 1028352568 /nfs/dbraw/zinc/35/25/68/1028352568.db2.gz PDVJWBHWBWZZHO-UHFFFAOYSA-N -1 1 351.406 2.573 20 30 FFEDMM NC(=NC(=O)c1nc2ccc(Cl)[n-]c-2n1)c1ccc2ccccc2n1 ZINC001155182838 1028614520 /nfs/dbraw/zinc/61/45/20/1028614520.db2.gz NFYRBHLQJARVFP-UHFFFAOYSA-N -1 1 350.769 2.705 20 30 FFEDMM NC(=NC(=O)c1nc2ccc(Cl)nc2[n-]1)c1ccc2ccccc2n1 ZINC001155182838 1028614538 /nfs/dbraw/zinc/61/45/38/1028614538.db2.gz NFYRBHLQJARVFP-UHFFFAOYSA-N -1 1 350.769 2.705 20 30 FFEDMM N#Cc1ccc2[nH]c(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)nc2c1 ZINC001149884287 1031614231 /nfs/dbraw/zinc/61/42/31/1031614231.db2.gz ORTUGHJKFFJNLI-UHFFFAOYSA-N -1 1 356.345 2.641 20 30 FFEDMM CC[C@H](C)OC(=O)N1CCCC[C@H]1CCOc1nccc(/C=N/[O-])n1 ZINC001226254747 1034594823 /nfs/dbraw/zinc/59/48/23/1034594823.db2.gz CNTWAKJOTWRXDQ-FUKSAJPYSA-N -1 1 350.419 2.843 20 30 FFEDMM CC(C)(C)OC(=O)N1CCCO[C@@H](COc2ccc([O-])c(C#N)c2C#N)C1 ZINC001227617609 1035639846 /nfs/dbraw/zinc/63/98/46/1035639846.db2.gz FWXLULGTAMOQSV-CYBMUJFWSA-N -1 1 373.409 2.540 20 30 FFEDMM CC(C)(C)OC(=O)N1CC2(CC[C@@H]2Oc2ccc([O-])c(C#N)c2C#N)C1 ZINC001227619437 1035640833 /nfs/dbraw/zinc/64/08/33/1035640833.db2.gz RHLPGSDMXQLWRZ-INIZCTEOSA-N -1 1 355.394 2.914 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@H]2Oc1ccc([O-])c(C#N)c1C#N ZINC001227621880 1035642566 /nfs/dbraw/zinc/64/25/66/1035642566.db2.gz GOFFOZOCNKDEMN-ZLENFMNRSA-N -1 1 355.394 2.912 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1cccc([O-])c1Cl ZINC001232785648 1036032065 /nfs/dbraw/zinc/03/20/65/1036032065.db2.gz GCTDSBAOVLPZGY-OAHLLOKOSA-N -1 1 362.861 2.959 20 30 FFEDMM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=S)ncc1C(=O)OCC ZINC001228550924 1036172353 /nfs/dbraw/zinc/17/23/53/1036172353.db2.gz IQEDKOOIXUHJBX-SNVBAGLBSA-N -1 1 354.428 2.607 20 30 FFEDMM COCC(COC)Oc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1O ZINC001229209938 1036554078 /nfs/dbraw/zinc/55/40/78/1036554078.db2.gz ZWXZJKRGJFEEJA-UWVJOHFNSA-N -1 1 372.373 2.754 20 30 FFEDMM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(OC2CN(C)C2)c1OC ZINC001230440499 1037282826 /nfs/dbraw/zinc/28/28/26/1037282826.db2.gz NYDMNMSIRLUJOP-MDZDMXLPSA-N -1 1 369.417 2.998 20 30 FFEDMM C[C@H](CON)Oc1c(Br)cc(Br)cc1C=N[O-] ZINC001231325069 1037534386 /nfs/dbraw/zinc/53/43/86/1037534386.db2.gz WDJOGLJIOLKGDN-ZCFIWIBFSA-N -1 1 368.025 2.677 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c([O-])c2)C[C@H]1C#N ZINC001231737081 1037860944 /nfs/dbraw/zinc/86/09/44/1037860944.db2.gz MNZHCAAYZBTHMM-CYBMUJFWSA-N -1 1 351.834 2.990 20 30 FFEDMM N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC(F)(F)F)ccc1[O-] ZINC001279056576 1039047262 /nfs/dbraw/zinc/04/72/62/1039047262.db2.gz IPRGYDAXZJYPCA-GASCZTMLSA-N -1 1 367.371 2.895 20 30 FFEDMM COCCOc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258290302 1039300625 /nfs/dbraw/zinc/30/06/25/1039300625.db2.gz OKHRAUHABKUOHF-UHFFFAOYSA-N -1 1 350.371 2.523 20 30 FFEDMM CCCCC[C@@H](CCC)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001258667270 1039480091 /nfs/dbraw/zinc/48/00/91/1039480091.db2.gz LWVPFMXPYPYNIN-ZIAGYGMSSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCC[C@@H](CCC)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001258667270 1039480097 /nfs/dbraw/zinc/48/00/97/1039480097.db2.gz LWVPFMXPYPYNIN-ZIAGYGMSSA-N -1 1 356.469 2.751 20 30 FFEDMM CC1(C)CC(=O)Nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC001259125771 1039732546 /nfs/dbraw/zinc/73/25/46/1039732546.db2.gz RBQIBELUNRNNEH-UHFFFAOYSA-N -1 1 355.419 2.979 20 30 FFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C#N ZINC001259176968 1039768822 /nfs/dbraw/zinc/76/88/22/1039768822.db2.gz RQNCAYYGPDVKQM-UHFFFAOYSA-N -1 1 357.391 2.520 20 30 FFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC001259397192 1039972047 /nfs/dbraw/zinc/97/20/47/1039972047.db2.gz WDQTXWGCMAQMMH-UHFFFAOYSA-N -1 1 373.415 2.755 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CCC3)ccc1F ZINC001259418020 1039988460 /nfs/dbraw/zinc/98/84/60/1039988460.db2.gz ZSQIAWGOFWCJRX-UHFFFAOYSA-N -1 1 359.382 2.773 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Br)c(Cl)s2)CC1 ZINC001260493182 1040624369 /nfs/dbraw/zinc/62/43/69/1040624369.db2.gz ATZLQIKWYULWOY-UHFFFAOYSA-N -1 1 355.666 2.746 20 30 FFEDMM C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001260605055 1040669792 /nfs/dbraw/zinc/66/97/92/1040669792.db2.gz FLLDANBIBDBROU-LBPRGKRZSA-N -1 1 364.448 2.518 20 30 FFEDMM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)c1 ZINC001254430973 1040717868 /nfs/dbraw/zinc/71/78/68/1040717868.db2.gz NXJHXJPCKGQMTD-UHFFFAOYSA-N -1 1 354.334 2.654 20 30 FFEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1ccc(F)cc1 ZINC001261074737 1040983017 /nfs/dbraw/zinc/98/30/17/1040983017.db2.gz CCDPXIXGCZRRIR-LLVKDONJSA-N -1 1 366.761 2.558 20 30 FFEDMM COc1ncc(Nc2cc(Cl)cc(C#N)c2)cc1[N-]S(C)(=O)=O ZINC001216156691 1041966368 /nfs/dbraw/zinc/96/63/68/1041966368.db2.gz WNSAMSTZGRMIIU-UHFFFAOYSA-N -1 1 352.803 2.730 20 30 FFEDMM CC[C@]([N-]S(=O)(=O)c1ccc(C)cc1C#N)(C(=O)OC)c1ccccc1 ZINC001309487051 1043407574 /nfs/dbraw/zinc/40/75/74/1043407574.db2.gz BWIFNNUDIWLPHA-LJQANCHMSA-N -1 1 372.446 2.624 20 30 FFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC001318712901 1044826030 /nfs/dbraw/zinc/82/60/30/1044826030.db2.gz FYARMVUUTDMXCZ-JTQLQIEISA-N -1 1 352.362 2.885 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCCC2=O)cc1 ZINC001318909555 1044934443 /nfs/dbraw/zinc/93/44/43/1044934443.db2.gz MVIGICKDXKPUDC-UHFFFAOYSA-N -1 1 369.446 2.676 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(-c2ccccc2)[nH]1 ZINC001318464660 1045307336 /nfs/dbraw/zinc/30/73/36/1045307336.db2.gz KPMDJNDRNKOVTD-UHFFFAOYSA-N -1 1 351.387 2.561 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc2c(s1)CCCCC2 ZINC001323608588 1045658293 /nfs/dbraw/zinc/65/82/93/1045658293.db2.gz SFZSMTPWGSSJRY-UHFFFAOYSA-N -1 1 360.460 2.896 20 30 FFEDMM CC(C)CCOc1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001321816679 1045816789 /nfs/dbraw/zinc/81/67/89/1045816789.db2.gz UWMFLZUURHYTHY-UHFFFAOYSA-N -1 1 372.446 2.990 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC001322285627 1046028211 /nfs/dbraw/zinc/02/82/11/1046028211.db2.gz GBQOAGGUYRHIAU-UHFFFAOYSA-N -1 1 355.419 2.828 20 30 FFEDMM CCOC(=O)c1nc(NC(=O)Cc2c(C)cc(C#N)cc2C)[n-]c1Cl ZINC001289091624 1047575320 /nfs/dbraw/zinc/57/53/20/1047575320.db2.gz YZHCFBUJPYDFJQ-UHFFFAOYSA-N -1 1 360.801 2.910 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC001341853593 1050465516 /nfs/dbraw/zinc/46/55/16/1050465516.db2.gz NLEZWQZMKICECK-SFHVURJKSA-N -1 1 350.430 2.550 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC001341853593 1050465525 /nfs/dbraw/zinc/46/55/25/1050465525.db2.gz NLEZWQZMKICECK-SFHVURJKSA-N -1 1 350.430 2.550 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1c1cc(C)ccc1C ZINC001342106793 1050700620 /nfs/dbraw/zinc/70/06/20/1050700620.db2.gz MXKYKIDOFNRUIM-MRXNPFEDSA-N -1 1 364.457 2.526 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1c1cc(C)ccc1C ZINC001342106793 1050700636 /nfs/dbraw/zinc/70/06/36/1050700636.db2.gz MXKYKIDOFNRUIM-MRXNPFEDSA-N -1 1 364.457 2.526 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H](CC(F)(F)F)C1 ZINC001342177375 1050769683 /nfs/dbraw/zinc/76/96/83/1050769683.db2.gz MULTXUSONYGIBX-JTQLQIEISA-N -1 1 356.352 2.729 20 30 FFEDMM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001302938101 1051233277 /nfs/dbraw/zinc/23/32/77/1051233277.db2.gz QRAXFQVYQLDIDY-MRXNPFEDSA-N -1 1 374.404 2.802 20 30 FFEDMM C=C(C)CN(C)c1nnc(-c2cc(Cl)ncc2[O-])n1C[C@H]1CCCO1 ZINC001343305972 1052150623 /nfs/dbraw/zinc/15/06/23/1052150623.db2.gz FTVPKKPDSLUBRL-GFCCVEGCSA-N -1 1 363.849 2.890 20 30 FFEDMM C=CCN(CCOC)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CC(C)C ZINC001347380053 1053913736 /nfs/dbraw/zinc/91/37/36/1053913736.db2.gz KYRDJTZFVCJLJT-UHFFFAOYSA-N -1 1 372.473 2.613 20 30 FFEDMM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001543901939 1071564056 /nfs/dbraw/zinc/56/40/56/1071564056.db2.gz FWGVSSBAIZMHKV-CZUORRHYSA-N -1 1 355.419 2.894 20 30 FFEDMM CCn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001352688523 1055714648 /nfs/dbraw/zinc/71/46/48/1055714648.db2.gz CZZSLPZELSAAKE-WBVHZDCISA-N -1 1 365.437 2.730 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001338710493 1055750990 /nfs/dbraw/zinc/75/09/90/1055750990.db2.gz XLTUNWBOJRUIPN-NWDGAFQWSA-N -1 1 372.498 2.834 20 30 FFEDMM C=C(C)Cn1c(-c2noc(=O)[n-]2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001357206462 1055821942 /nfs/dbraw/zinc/82/19/42/1055821942.db2.gz FXGWPDYEAWSFMY-LBPRGKRZSA-N -1 1 358.427 2.601 20 30 FFEDMM C=CC(C)(C)Cc1nnc(N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)n1C ZINC001339514677 1056535868 /nfs/dbraw/zinc/53/58/68/1056535868.db2.gz KMEQTCPLHMNHJI-VXGBXAGGSA-N -1 1 373.423 2.606 20 30 FFEDMM CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001546286436 1059123927 /nfs/dbraw/zinc/12/39/27/1059123927.db2.gz FKSGFOJFVQRCBB-AWEZNQCLSA-N -1 1 355.360 2.717 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@H]1CSC ZINC001515030678 1059240159 /nfs/dbraw/zinc/24/01/59/1059240159.db2.gz AFABJOWRTRZDTN-SNVBAGLBSA-N -1 1 353.883 2.625 20 30 FFEDMM C#C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000848292158 1059611136 /nfs/dbraw/zinc/61/11/36/1059611136.db2.gz XAQQJFBSUKTIKN-INIZCTEOSA-N -1 1 368.458 2.973 20 30 FFEDMM C#C[C@@H]1CCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC(=C)C)C1 ZINC001515916325 1059887151 /nfs/dbraw/zinc/88/71/51/1059887151.db2.gz YFPTTYDWTYACFK-CQSZACIVSA-N -1 1 364.453 2.744 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC001475392519 1061073129 /nfs/dbraw/zinc/07/31/29/1061073129.db2.gz ZEARMCFXBRLPDD-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM Cc1ccc2oc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C#N)cc2c1 ZINC001464087365 1062418540 /nfs/dbraw/zinc/41/85/40/1062418540.db2.gz XAKFHOBCKFNWPI-UHFFFAOYSA-N -1 1 371.374 3.000 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)[C@H]1CC[C@@H]1OC ZINC001524309322 1062798690 /nfs/dbraw/zinc/79/86/90/1062798690.db2.gz WDNMNDQJUFALTG-GJZGRUSLSA-N -1 1 370.457 2.508 20 30 FFEDMM C=C(C)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)OCC ZINC001472613800 1065111302 /nfs/dbraw/zinc/11/13/02/1065111302.db2.gz LJLGYDJTVCAHHL-GFCCVEGCSA-N -1 1 356.216 2.782 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCc2ccc([O-])c(F)c2F)C1 ZINC001474424855 1065518382 /nfs/dbraw/zinc/51/83/82/1065518382.db2.gz RRGJUFRVERHKAI-NWDGAFQWSA-N -1 1 353.369 2.519 20 30 FFEDMM N#Cc1nc(SCc2ccc(C(F)(F)F)cc2)cnc1-c1nn[n-]n1 ZINC001581881287 1079011842 /nfs/dbraw/zinc/01/18/42/1079011842.db2.gz UMPPLLFNWXIEBG-UHFFFAOYSA-N -1 1 363.328 2.839 20 30 FFEDMM N#Cc1ncc(Oc2ccc(Sc3ccncc3)cc2)nc1-c1nn[n-]n1 ZINC001581885096 1079012279 /nfs/dbraw/zinc/01/22/79/1079012279.db2.gz NFQBGRBWMKAJGG-UHFFFAOYSA-N -1 1 374.389 2.867 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC[C@@H]32)cc1Br ZINC001562007048 1076464607 /nfs/dbraw/zinc/46/46/07/1076464607.db2.gz XGIGBZGNFDJAKB-DFAYQTQMSA-N -1 1 373.247 2.927 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@@H]23)cc1Br ZINC001562007124 1076464750 /nfs/dbraw/zinc/46/47/50/1076464750.db2.gz XGIGBZGNFDJAKB-IYYTYJHQSA-N -1 1 373.247 2.927 20 30 FFEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001565063770 1076682099 /nfs/dbraw/zinc/68/20/99/1076682099.db2.gz SOKCRDTVQYIVKI-WWGRRREGSA-N -1 1 361.408 2.974 20 30 FFEDMM C=CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001574100957 1077899076 /nfs/dbraw/zinc/89/90/76/1077899076.db2.gz YFXQOASQLWLTIE-IIBYNOLFSA-N -1 1 371.481 2.891 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001588326630 1079983228 /nfs/dbraw/zinc/98/32/28/1079983228.db2.gz QZBDLEUDQNUNBM-LLVKDONJSA-N -1 1 351.341 2.550 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001588326630 1079983231 /nfs/dbraw/zinc/98/32/31/1079983231.db2.gz QZBDLEUDQNUNBM-LLVKDONJSA-N -1 1 351.341 2.550 20 30 FFEDMM C#C[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC001588330140 1079987458 /nfs/dbraw/zinc/98/74/58/1079987458.db2.gz VSSCVSQRIWJLCU-ZDUSSCGKSA-N -1 1 371.763 2.550 20 30 FFEDMM C#C[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC001588330140 1079987465 /nfs/dbraw/zinc/98/74/65/1079987465.db2.gz VSSCVSQRIWJLCU-ZDUSSCGKSA-N -1 1 371.763 2.550 20 30 FFEDMM C#CCOc1ccc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)cc1 ZINC001588361755 1079993744 /nfs/dbraw/zinc/99/37/44/1079993744.db2.gz IQBHUGZWWFTPLU-UHFFFAOYSA-N -1 1 358.361 2.612 20 30 FFEDMM C#CCOc1ccc2ccccc2c1CN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC001588361658 1079994113 /nfs/dbraw/zinc/99/41/13/1079994113.db2.gz FOKAUXJMXZREMU-UHFFFAOYSA-N -1 1 373.376 2.774 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001588438209 1080029039 /nfs/dbraw/zinc/02/90/39/1080029039.db2.gz NMAPMXFYXWDQOJ-TZMCWYRMSA-N -1 1 368.445 2.919 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001588438209 1080029045 /nfs/dbraw/zinc/02/90/45/1080029045.db2.gz NMAPMXFYXWDQOJ-TZMCWYRMSA-N -1 1 368.445 2.919 20 30 FFEDMM C=CC[C@@H]1N(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2C)CCCC1(C)C ZINC001588563891 1080100440 /nfs/dbraw/zinc/10/04/40/1080100440.db2.gz DQZIMWQBHXPYFL-AWEZNQCLSA-N -1 1 368.445 2.826 20 30 FFEDMM C=CC[C@@H]1N(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2C)CCCC1(C)C ZINC001588563891 1080100444 /nfs/dbraw/zinc/10/04/44/1080100444.db2.gz DQZIMWQBHXPYFL-AWEZNQCLSA-N -1 1 368.445 2.826 20 30 FFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001588620700 1080124086 /nfs/dbraw/zinc/12/40/86/1080124086.db2.gz CQQWFKKPBKYXGU-UHFFFAOYSA-N -1 1 355.423 2.786 20 30 FFEDMM C=C[C@H](C(=O)[O-])N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001588664655 1080147003 /nfs/dbraw/zinc/14/70/03/1080147003.db2.gz STPMDCPUBJUAPL-FSDSQADBSA-N -1 1 353.209 2.728 20 30 FFEDMM C=CCCC[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)C(=O)[O-] ZINC001588792527 1080197998 /nfs/dbraw/zinc/19/79/98/1080197998.db2.gz JQFIXFMLUQIKTP-LLVKDONJSA-N -1 1 366.215 2.865 20 30 FFEDMM CC(C)(C)OCc1ccc(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001589198224 1080411767 /nfs/dbraw/zinc/41/17/67/1080411767.db2.gz ASKURDMNYVSKCT-UHFFFAOYSA-N -1 1 350.386 2.587 20 30 FFEDMM CC(C)(C)OCc1ccc(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001589198224 1080411772 /nfs/dbraw/zinc/41/17/72/1080411772.db2.gz ASKURDMNYVSKCT-UHFFFAOYSA-N -1 1 350.386 2.587 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3cc(N)ccc32)o1 ZINC001589237881 1080440187 /nfs/dbraw/zinc/44/01/87/1080440187.db2.gz GMJMWPCHIVMRRB-UHFFFAOYSA-N -1 1 366.429 2.887 20 30 FFEDMM CC(C)CCOc1ccccc1CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589607799 1080632636 /nfs/dbraw/zinc/63/26/36/1080632636.db2.gz UOZNPVARAHBXFK-UHFFFAOYSA-N -1 1 364.413 2.565 20 30 FFEDMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2OC)cc1C#N ZINC000277275729 256179732 /nfs/dbraw/zinc/17/97/32/256179732.db2.gz LPVAOQAVWQVIDN-INIZCTEOSA-N -1 1 370.405 2.890 20 30 FFEDMM CNc1ccc(C#N)cc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000285863623 257008637 /nfs/dbraw/zinc/00/86/37/257008637.db2.gz HMSADEFEVODPKD-UHFFFAOYSA-N -1 1 357.439 2.697 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc(C(F)(F)F)cs1 ZINC000287304134 257082530 /nfs/dbraw/zinc/08/25/30/257082530.db2.gz JRQDQESQZHHPJP-LURJTMIESA-N -1 1 351.331 2.666 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432767929 514280362 /nfs/dbraw/zinc/28/03/62/514280362.db2.gz MPVGBMRQKFCDQD-UHFFFAOYSA-N -1 1 362.208 2.993 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC#N)C3CC3)c2)c1 ZINC000065895300 506387984 /nfs/dbraw/zinc/38/79/84/506387984.db2.gz CSCIYIUILDKWMW-UHFFFAOYSA-N -1 1 369.446 2.924 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000063878463 507778242 /nfs/dbraw/zinc/77/82/42/507778242.db2.gz IKFAJMZLUFXIGJ-UHFFFAOYSA-N -1 1 355.419 2.583 20 30 FFEDMM CCN(CC#N)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094055585 508165083 /nfs/dbraw/zinc/16/50/83/508165083.db2.gz GPNAKKBBZFCSKP-UHFFFAOYSA-N -1 1 359.332 2.908 20 30 FFEDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC000156532098 508434598 /nfs/dbraw/zinc/43/45/98/508434598.db2.gz JADRRXKXGXYYTA-UHFFFAOYSA-N -1 1 355.419 2.658 20 30 FFEDMM C=CCOc1ccccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157458253 508568991 /nfs/dbraw/zinc/56/89/91/508568991.db2.gz ZLOGYBQMIJSWMD-UHFFFAOYSA-N -1 1 373.390 2.510 20 30 FFEDMM C=C(C)COCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000136133116 508673705 /nfs/dbraw/zinc/67/37/05/508673705.db2.gz HYKDGEWKDAILGF-UHFFFAOYSA-N -1 1 374.462 2.810 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000153966293 508688196 /nfs/dbraw/zinc/68/81/96/508688196.db2.gz HXBUJNTXNHJRKW-UHFFFAOYSA-N -1 1 362.208 2.993 20 30 FFEDMM N#Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000153968402 508688659 /nfs/dbraw/zinc/68/86/59/508688659.db2.gz HOKZCBAFNRZGEG-UHFFFAOYSA-N -1 1 362.208 2.993 20 30 FFEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3c(F)cc(C#N)cc3F)n2)cc1 ZINC000118993331 508702831 /nfs/dbraw/zinc/70/28/31/508702831.db2.gz IMIHANSARNVUBD-UHFFFAOYSA-N -1 1 364.315 2.600 20 30 FFEDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000123715414 508729177 /nfs/dbraw/zinc/72/91/77/508729177.db2.gz JNKUHKXPQOCSKL-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM N#CCN(C(=O)c1cc(I)ccc1[O-])C1CCCC1 ZINC000179509598 509487968 /nfs/dbraw/zinc/48/79/68/509487968.db2.gz AAXVISPXENYHDN-UHFFFAOYSA-N -1 1 370.190 2.905 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c(Cl)c1 ZINC000186615692 509802875 /nfs/dbraw/zinc/80/28/75/509802875.db2.gz BWTFPVHMAMZMSV-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM Cc1c(=O)[n-]c(SCC(=O)N[C@@](C)(C#N)C2CC2)nc1-c1ccccc1 ZINC000185054452 510658876 /nfs/dbraw/zinc/65/88/76/510658876.db2.gz HOUVFOAWEPKULH-IBGZPJMESA-N -1 1 368.462 2.646 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000172591719 510810567 /nfs/dbraw/zinc/81/05/67/510810567.db2.gz OAWMJJMYUXFSGC-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM C=CCn1c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC000283597836 511428810 /nfs/dbraw/zinc/42/88/10/511428810.db2.gz UHUPDUGFEABZNE-UHFFFAOYSA-N -1 1 373.423 2.657 20 30 FFEDMM C=CCN(CCc1ccco1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000272622968 511501325 /nfs/dbraw/zinc/50/13/25/511501325.db2.gz MAXIUBRZUSZPHZ-UHFFFAOYSA-N -1 1 368.437 2.835 20 30 FFEDMM C#Cc1cccc(NC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292524826 511629970 /nfs/dbraw/zinc/62/99/70/511629970.db2.gz CVVANPOCGUZWQN-BXUZGUMPSA-N -1 1 353.344 2.731 20 30 FFEDMM C#CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C1CC1 ZINC000274098585 511719271 /nfs/dbraw/zinc/71/92/71/511719271.db2.gz OMPYTACBKMDETA-UHFFFAOYSA-N -1 1 356.300 2.741 20 30 FFEDMM CCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2OC)cc1C(=O)[O-] ZINC000328250937 511886852 /nfs/dbraw/zinc/88/68/52/511886852.db2.gz BNYUKTZUSIIVJA-UHFFFAOYSA-N -1 1 360.391 2.628 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C2CC2)no1 ZINC000293333115 511926397 /nfs/dbraw/zinc/92/63/97/511926397.db2.gz JMYKKCZPPOKJOO-AWEZNQCLSA-N -1 1 364.402 2.633 20 30 FFEDMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C1CCSCC1 ZINC000329101984 511983304 /nfs/dbraw/zinc/98/33/04/511983304.db2.gz FIIMHRXMZPWYTA-UHFFFAOYSA-N -1 1 356.469 2.564 20 30 FFEDMM Cn1[n-]c(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)nc1=O ZINC000329564597 512070403 /nfs/dbraw/zinc/07/04/03/512070403.db2.gz HAMFCAGCHHRGOD-GFCCVEGCSA-N -1 1 370.240 2.668 20 30 FFEDMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000367874785 512701208 /nfs/dbraw/zinc/70/12/08/512701208.db2.gz PYHSXRMQGBIWLG-HOCLYGCPSA-N -1 1 365.842 2.528 20 30 FFEDMM CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000376359077 512784919 /nfs/dbraw/zinc/78/49/19/512784919.db2.gz MAOPHLYYKMQIQN-LRDDRELGSA-N -1 1 365.480 2.574 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000439618324 513152844 /nfs/dbraw/zinc/15/28/44/513152844.db2.gz BSHVDBSPMCJGCE-UHFFFAOYSA-N -1 1 358.423 2.749 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000439618326 513152896 /nfs/dbraw/zinc/15/28/96/513152896.db2.gz BTKWSDGFYKDLEN-UHFFFAOYSA-N -1 1 361.423 2.808 20 30 FFEDMM C=C(C)C[C@@H](C)C(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000447682937 513541887 /nfs/dbraw/zinc/54/18/87/513541887.db2.gz LLNAYOSBUGSWIZ-CYBMUJFWSA-N -1 1 356.426 2.867 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1F ZINC000435720686 513668104 /nfs/dbraw/zinc/66/81/04/513668104.db2.gz ZVVCFUOTKRKNGQ-UHFFFAOYSA-N -1 1 364.398 2.832 20 30 FFEDMM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435751442 513676515 /nfs/dbraw/zinc/67/65/15/513676515.db2.gz GEFJRUFQYSFKSL-UHFFFAOYSA-N -1 1 374.418 2.609 20 30 FFEDMM COCCOc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000442718425 513757831 /nfs/dbraw/zinc/75/78/31/513757831.db2.gz HAXQOBNPOGNREO-CYBMUJFWSA-N -1 1 370.405 2.789 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)c1C#N ZINC000436480164 513868867 /nfs/dbraw/zinc/86/88/67/513868867.db2.gz WTVYYECEHKQMBV-UHFFFAOYSA-N -1 1 357.370 2.592 20 30 FFEDMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@H+]1CCCC[C@@H]1C ZINC000443101383 513872856 /nfs/dbraw/zinc/87/28/56/513872856.db2.gz CORKOZCRLGBSEB-QWHCGFSZSA-N -1 1 355.891 2.753 20 30 FFEDMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000436501749 513875567 /nfs/dbraw/zinc/87/55/67/513875567.db2.gz ALASXZDPZSQPDH-UHFFFAOYSA-N -1 1 354.362 2.847 20 30 FFEDMM COc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000436569478 513900167 /nfs/dbraw/zinc/90/01/67/513900167.db2.gz DZGPQSYDKBRKHJ-UHFFFAOYSA-N -1 1 354.362 2.732 20 30 FFEDMM COc1cc(CNC(=O)c2cc(Br)ccc2[O-])ccc1C#N ZINC000436569349 513900686 /nfs/dbraw/zinc/90/06/86/513900686.db2.gz CXHZZALHGSASOS-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436624580 513922473 /nfs/dbraw/zinc/92/24/73/513922473.db2.gz LUYFBMFJVFJOMF-UHFFFAOYSA-N -1 1 361.405 2.951 20 30 FFEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1cc(I)ccc1[O-] ZINC000436917365 514033622 /nfs/dbraw/zinc/03/36/22/514033622.db2.gz DLAMMRHUNJOSAR-LLVKDONJSA-N -1 1 358.179 2.665 20 30 FFEDMM Cc1cnc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c([O-])c1 ZINC000426996974 514087720 /nfs/dbraw/zinc/08/77/20/514087720.db2.gz GUNNHBOINJUISF-CQSZACIVSA-N -1 1 354.385 2.505 20 30 FFEDMM Cc1ccc(-n2cnc3c2CCN(C(=O)c2ccc(C#N)c([O-])c2)C3)cc1 ZINC000489437026 514845998 /nfs/dbraw/zinc/84/59/98/514845998.db2.gz FRMPBCLKIUNAAU-UHFFFAOYSA-N -1 1 358.401 2.957 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000476406588 515036723 /nfs/dbraw/zinc/03/67/23/515036723.db2.gz DLSHTHUXXCUKDL-AWEZNQCLSA-N -1 1 358.504 2.746 20 30 FFEDMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000481939216 515521477 /nfs/dbraw/zinc/52/14/77/515521477.db2.gz ABXJZGSYPCPQDO-UHFFFAOYSA-N -1 1 363.826 2.995 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)cc(C)cc1C(=O)[O-] ZINC000463531040 515536013 /nfs/dbraw/zinc/53/60/13/515536013.db2.gz FSKJHJNCEDGHTG-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM Cc1cnc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000473567733 515666013 /nfs/dbraw/zinc/66/60/13/515666013.db2.gz CKZZQWQGDMNXAK-MRXNPFEDSA-N -1 1 370.840 2.772 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1NC(=O)N(C)C ZINC000478680624 515922624 /nfs/dbraw/zinc/92/26/24/515922624.db2.gz ZSNCXJLKEUVUFK-UHFFFAOYSA-N -1 1 358.423 2.761 20 30 FFEDMM Cc1cn(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)c(=O)[nH]1 ZINC000478685601 515924287 /nfs/dbraw/zinc/92/42/87/515924287.db2.gz NQHMSDPQECNIBV-UHFFFAOYSA-N -1 1 368.418 2.867 20 30 FFEDMM O=S(=O)([N-]CCOC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000474377299 516020247 /nfs/dbraw/zinc/02/02/47/516020247.db2.gz WUOTWEZUGQECAY-UHFFFAOYSA-N -1 1 355.231 2.659 20 30 FFEDMM C=C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000465111069 516065895 /nfs/dbraw/zinc/06/58/95/516065895.db2.gz RGZKGZMVRUUYDD-ZDUSSCGKSA-N -1 1 360.435 2.800 20 30 FFEDMM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1cccc(Cl)c1 ZINC000557784552 516438275 /nfs/dbraw/zinc/43/82/75/516438275.db2.gz JLCJNHIMYKSPGG-GFCCVEGCSA-N -1 1 354.815 2.941 20 30 FFEDMM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C2CC2)no1 ZINC000518469414 516672958 /nfs/dbraw/zinc/67/29/58/516672958.db2.gz ZINHVFJMACOJTN-OAHLLOKOSA-N -1 1 366.830 2.507 20 30 FFEDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000524852485 516846606 /nfs/dbraw/zinc/84/66/06/516846606.db2.gz ZWCYPHRTLJCXPX-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(N2CCCCC2)n1 ZINC000525327288 517009883 /nfs/dbraw/zinc/00/98/83/517009883.db2.gz GKANTQGTYSTMSD-AWEZNQCLSA-N -1 1 360.421 2.844 20 30 FFEDMM COCc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1C#N ZINC000530145795 517591776 /nfs/dbraw/zinc/59/17/76/517591776.db2.gz VOMHEAIGRHDYQX-UHFFFAOYSA-N -1 1 363.439 2.932 20 30 FFEDMM N#CCc1ccc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)cc1 ZINC000543116105 517917436 /nfs/dbraw/zinc/91/74/36/517917436.db2.gz BDEUBVLKCHLLGU-UHFFFAOYSA-N -1 1 358.467 2.967 20 30 FFEDMM Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c([C@@H]2CCOC2)n1 ZINC000563594565 518007717 /nfs/dbraw/zinc/00/77/17/518007717.db2.gz XUZZUWVERYZWHE-PWSUYJOCSA-N -1 1 364.327 2.828 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)c(Cl)c1 ZINC000564811035 518627230 /nfs/dbraw/zinc/62/72/30/518627230.db2.gz GVJSSALUTZFVHE-NSHDSACASA-N -1 1 366.830 2.630 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000573396070 518644153 /nfs/dbraw/zinc/64/41/53/518644153.db2.gz ZUAUGGRWQUZHKF-UHFFFAOYSA-N -1 1 354.309 2.500 20 30 FFEDMM COc1ccc(C)cc1CN1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589160130 518933523 /nfs/dbraw/zinc/93/35/23/518933523.db2.gz XFVUSORDMNFDGD-UHFFFAOYSA-N -1 1 365.433 2.539 20 30 FFEDMM CCOC(=O)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000589171837 518937872 /nfs/dbraw/zinc/93/78/72/518937872.db2.gz OFFMUPRNFDUFME-QGZVFWFLSA-N -1 1 356.353 2.827 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000589197140 518947999 /nfs/dbraw/zinc/94/79/99/518947999.db2.gz CKYCDSWBPJOCDE-GOSISDBHSA-N -1 1 367.449 2.519 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 ZINC000589199774 518949779 /nfs/dbraw/zinc/94/97/79/518949779.db2.gz ZYHMEERPQMAHEM-UHFFFAOYSA-N -1 1 362.364 2.787 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000589726777 519072803 /nfs/dbraw/zinc/07/28/03/519072803.db2.gz SUMKBUHVNAPYGT-NRFANRHFSA-N -1 1 350.418 2.721 20 30 FFEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(I)c([O-])c1 ZINC000572173503 519479925 /nfs/dbraw/zinc/47/99/25/519479925.db2.gz GEYDWQJGMFSYIT-NSHDSACASA-N -1 1 358.179 2.665 20 30 FFEDMM C=C[C@@](C)(O)CC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000569513795 519587452 /nfs/dbraw/zinc/58/74/52/519587452.db2.gz QAIQTCSRUMAHCC-CYBMUJFWSA-N -1 1 356.245 2.588 20 30 FFEDMM CCc1nc(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[n-]c(=O)c1C ZINC000569591833 519623437 /nfs/dbraw/zinc/62/34/37/519623437.db2.gz OZBWHKBQNNHYDR-OAHLLOKOSA-N -1 1 354.435 2.822 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)s1 ZINC000594820082 520173825 /nfs/dbraw/zinc/17/38/25/520173825.db2.gz ZTKRGNPPSWUCPR-NSHDSACASA-N -1 1 368.402 2.788 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(CC#N)C3)cc2)cc1 ZINC000598037326 520388220 /nfs/dbraw/zinc/38/82/20/520388220.db2.gz WGUQOPUPICPKCF-UHFFFAOYSA-N -1 1 369.446 2.782 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000610085538 520533970 /nfs/dbraw/zinc/53/39/70/520533970.db2.gz WAPQYIYWWHTCHA-KRWDZBQOSA-N -1 1 373.453 2.640 20 30 FFEDMM N#Cc1ccc(OC2CCC(NC(=O)c3ccc([O-])c(F)c3)CC2)nc1 ZINC000613524039 520542588 /nfs/dbraw/zinc/54/25/88/520542588.db2.gz PUCAYUKCHDOLGU-UHFFFAOYSA-N -1 1 355.369 2.918 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])nc1 ZINC000610490897 520714404 /nfs/dbraw/zinc/71/44/04/520714404.db2.gz LPRRYZQKVNFDJU-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614298253 520897444 /nfs/dbraw/zinc/89/74/44/520897444.db2.gz RZEKONALQMVFGP-UHFFFAOYSA-N -1 1 359.407 2.668 20 30 FFEDMM CN1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000614304871 520900297 /nfs/dbraw/zinc/90/02/97/520900297.db2.gz VYHABTSJDASWNT-ROUUACIJSA-N -1 1 357.360 2.717 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000614370586 520929747 /nfs/dbraw/zinc/92/97/47/520929747.db2.gz ONRCTGGIHAJDJK-SFHVURJKSA-N -1 1 363.417 2.689 20 30 FFEDMM C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)n1 ZINC000593828099 521234292 /nfs/dbraw/zinc/23/42/92/521234292.db2.gz JVMIHISUTPMZPD-MLGOLLRUSA-N -1 1 366.421 2.865 20 30 FFEDMM CCN1C[C@@H](CN(C)C(=O)c2ccc(C#N)c([O-])c2)Oc2ccccc21 ZINC000615439066 521404915 /nfs/dbraw/zinc/40/49/15/521404915.db2.gz IFHQVALZCZCRTE-MRXNPFEDSA-N -1 1 351.406 2.623 20 30 FFEDMM COc1cc2[n-]cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c(=O)c2c(OC)c1 ZINC000599825382 521493793 /nfs/dbraw/zinc/49/37/93/521493793.db2.gz JWZWHEOWZNZEMH-MRXNPFEDSA-N -1 1 369.421 2.700 20 30 FFEDMM N#Cc1ccc(N2CCN(C(=O)c3csc(=NC4CC4)[n-]3)CC2)c(F)c1 ZINC000524857029 562236154 /nfs/dbraw/zinc/23/61/54/562236154.db2.gz KHTYKPACAMSGFP-UHFFFAOYSA-N -1 1 371.441 2.691 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(-c3ccccc3)s2)o1 ZINC000737467877 598438234 /nfs/dbraw/zinc/43/82/34/598438234.db2.gz USARABYOEIIYRE-UHFFFAOYSA-N -1 1 352.383 2.733 20 30 FFEDMM N#Cc1ccc(OCCCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000737722469 598504214 /nfs/dbraw/zinc/50/42/14/598504214.db2.gz VKYKVCHQPKYLOJ-UHFFFAOYSA-N -1 1 372.388 2.522 20 30 FFEDMM C=CC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000735403081 598666305 /nfs/dbraw/zinc/66/63/05/598666305.db2.gz OTCPWJXRVPQYQV-UHFFFAOYSA-N -1 1 352.398 2.597 20 30 FFEDMM C=CC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000735403081 598666306 /nfs/dbraw/zinc/66/63/06/598666306.db2.gz OTCPWJXRVPQYQV-UHFFFAOYSA-N -1 1 352.398 2.597 20 30 FFEDMM Cc1c(Cl)cccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822034424 599331680 /nfs/dbraw/zinc/33/16/80/599331680.db2.gz CJSVUIBLBUVVDZ-UHFFFAOYSA-N -1 1 361.818 2.742 20 30 FFEDMM Cc1c(Cl)cccc1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822034424 599331681 /nfs/dbraw/zinc/33/16/81/599331681.db2.gz CJSVUIBLBUVVDZ-UHFFFAOYSA-N -1 1 361.818 2.742 20 30 FFEDMM S=C1N=NC(c2cccc(Cl)c2)N1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823738197 599336208 /nfs/dbraw/zinc/33/62/08/599336208.db2.gz PYYFDTZVCYSDOQ-UHFFFAOYSA-N -1 1 372.801 2.543 20 30 FFEDMM S=C1N=NC(c2cccc(Cl)c2)N1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823738197 599336211 /nfs/dbraw/zinc/33/62/11/599336211.db2.gz PYYFDTZVCYSDOQ-UHFFFAOYSA-N -1 1 372.801 2.543 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1C ZINC000738724453 600291743 /nfs/dbraw/zinc/29/17/43/600291743.db2.gz KNZOHGDJBMNOCL-QGZVFWFLSA-N -1 1 369.465 2.737 20 30 FFEDMM C#Cc1cccc(N(CC)CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000823861727 607461322 /nfs/dbraw/zinc/46/13/22/607461322.db2.gz QDCNUFRXQWEJNF-UHFFFAOYSA-N -1 1 364.409 2.523 20 30 FFEDMM COCCOc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000831767337 601498227 /nfs/dbraw/zinc/49/82/27/601498227.db2.gz LCDYGNCVMFTLFZ-IBGZPJMESA-N -1 1 354.406 2.807 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738619089 601850453 /nfs/dbraw/zinc/85/04/53/601850453.db2.gz XEUAOOWCIXCCJH-IAGOWNOFSA-N -1 1 372.469 2.644 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN2CC[C@](C)(C(=O)[O-])C2)ccc1Cl ZINC000832888174 601930669 /nfs/dbraw/zinc/93/06/69/601930669.db2.gz FRDJVVMLOPEZBL-SFHVURJKSA-N -1 1 363.845 2.692 20 30 FFEDMM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccn1 ZINC000740304040 602670806 /nfs/dbraw/zinc/67/08/06/602670806.db2.gz PRQWWXQOMPNQAU-LSDHHAIUSA-N -1 1 366.377 2.518 20 30 FFEDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000825272466 604018163 /nfs/dbraw/zinc/01/81/63/604018163.db2.gz LEVPIFWFMYVFRA-YOEHRIQHSA-N -1 1 353.426 2.747 20 30 FFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000833072371 604506814 /nfs/dbraw/zinc/50/68/14/604506814.db2.gz SJINCGCRJVQUKJ-LJQANCHMSA-N -1 1 353.397 2.641 20 30 FFEDMM CCN(C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1)CC(F)(F)F ZINC000833654380 604613966 /nfs/dbraw/zinc/61/39/66/604613966.db2.gz NKXRMRWKEHEUHN-CYBMUJFWSA-N -1 1 369.387 2.963 20 30 FFEDMM O=C([O-])N1CCCc2cccc(C=NNc3ccc(-n4cccn4)nn3)c21 ZINC000832018731 604828485 /nfs/dbraw/zinc/82/84/85/604828485.db2.gz PSEMSNODUBTYTC-UHFFFAOYSA-N -1 1 363.381 2.539 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000779847814 605164266 /nfs/dbraw/zinc/16/42/66/605164266.db2.gz DXJJBQDMHZWYID-SNVBAGLBSA-N -1 1 364.354 2.616 20 30 FFEDMM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000821703301 606387122 /nfs/dbraw/zinc/38/71/22/606387122.db2.gz YNQLMHJIZVCIFI-XQRVVYSFSA-N -1 1 372.406 2.850 20 30 FFEDMM N#CCCCOc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822807004 606700151 /nfs/dbraw/zinc/70/01/51/606700151.db2.gz XUFMKWVQZSHPRW-UHFFFAOYSA-N -1 1 366.341 2.596 20 30 FFEDMM N#CCCCOc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822807004 606700153 /nfs/dbraw/zinc/70/01/53/606700153.db2.gz XUFMKWVQZSHPRW-UHFFFAOYSA-N -1 1 366.341 2.596 20 30 FFEDMM Cc1cc(C)n(N=Cc2cc3ccccc3s2)c(=O)c1-c1nn[n-]n1 ZINC000822198819 606918258 /nfs/dbraw/zinc/91/82/58/606918258.db2.gz LEYQRACTIYPSHZ-UHFFFAOYSA-N -1 1 350.407 2.742 20 30 FFEDMM Cc1cc(N)ccc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000823962184 607964725 /nfs/dbraw/zinc/96/47/25/607964725.db2.gz HHLUDCIVBYSAME-UHFFFAOYSA-N -1 1 354.418 2.879 20 30 FFEDMM CC(=NNC(=S)N[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823954058 608092394 /nfs/dbraw/zinc/09/23/94/608092394.db2.gz XEVLRLUZFLLOKD-GXSJLCMTSA-N -1 1 363.516 2.695 20 30 FFEDMM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826163351 608092680 /nfs/dbraw/zinc/09/26/80/608092680.db2.gz QCLZMYUTZUVYQB-VOTSOKGWSA-N -1 1 356.407 2.850 20 30 FFEDMM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826163351 608092681 /nfs/dbraw/zinc/09/26/81/608092681.db2.gz QCLZMYUTZUVYQB-VOTSOKGWSA-N -1 1 356.407 2.850 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(C#N)s2)o1 ZINC000823961944 608094611 /nfs/dbraw/zinc/09/46/11/608094611.db2.gz CILWYZDIMUQKDF-UHFFFAOYSA-N -1 1 356.415 2.822 20 30 FFEDMM C=CCOc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000111355456 728536160 /nfs/dbraw/zinc/53/61/60/728536160.db2.gz PAYSPHWBENOOCK-UHFFFAOYSA-N -1 1 366.370 2.777 20 30 FFEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc21 ZINC000134444838 728730306 /nfs/dbraw/zinc/73/03/06/728730306.db2.gz WUBBOEQGSDIVJC-UHFFFAOYSA-N -1 1 355.419 2.658 20 30 FFEDMM CC[C@H](C)OCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000152076887 728747773 /nfs/dbraw/zinc/74/77/73/728747773.db2.gz SFVIXPPNHABEER-CMPLNLGQSA-N -1 1 359.451 2.855 20 30 FFEDMM C#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000172929716 729035651 /nfs/dbraw/zinc/03/56/51/729035651.db2.gz QGVWKAUGNLHLPA-UHFFFAOYSA-N -1 1 356.447 2.939 20 30 FFEDMM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000173743302 729052849 /nfs/dbraw/zinc/05/28/49/729052849.db2.gz MLJHNBBPXKZSQY-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM C=CCn1c(-c2sc(NC(=O)C[C@@H](C)OC)nc2C)n[n-]c1=S ZINC000195491028 729539864 /nfs/dbraw/zinc/53/98/64/729539864.db2.gz QXQXBTIQIFDXBR-MRVPVSSYSA-N -1 1 353.473 2.922 20 30 FFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)/C=C\c1ccccc1C#N ZINC000255883501 729648316 /nfs/dbraw/zinc/64/83/16/729648316.db2.gz GGMGGEIXQVHUHC-TWGQIWQCSA-N -1 1 359.382 2.721 20 30 FFEDMM C=CCCO[N-]C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000856030690 730299798 /nfs/dbraw/zinc/29/97/98/730299798.db2.gz MOQVBEGEGUKLFR-CYBMUJFWSA-N -1 1 356.344 2.678 20 30 FFEDMM C[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cccc(C#N)c1[O-] ZINC000866336106 731050286 /nfs/dbraw/zinc/05/02/86/731050286.db2.gz CDDVCAXOAROBNH-LBPRGKRZSA-N -1 1 357.435 2.759 20 30 FFEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CCC1 ZINC000872502327 731781908 /nfs/dbraw/zinc/78/19/08/731781908.db2.gz FFKWLRXFXHWRHH-HSZRJFAPSA-N -1 1 369.512 2.668 20 30 FFEDMM C[S@@](=O)(=NS(=O)(=O)[N-]c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000882692284 733272910 /nfs/dbraw/zinc/27/29/10/733272910.db2.gz DFVXXVHHUPXYDZ-QFIPXVFZSA-N -1 1 359.448 2.785 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)c2cc(C#N)ccc2Cl)[n-]c1=O ZINC000889787900 734223692 /nfs/dbraw/zinc/22/36/92/734223692.db2.gz RXJXIEFNIXMHOR-CYBMUJFWSA-N -1 1 358.785 2.693 20 30 FFEDMM CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360908 734633204 /nfs/dbraw/zinc/63/32/04/734633204.db2.gz SBQGIXVCFPXNIX-SECBINFHSA-N -1 1 359.209 2.864 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Cl)c1OC ZINC000730434741 734636633 /nfs/dbraw/zinc/63/66/33/734636633.db2.gz RUYKDYHWBYCGOX-YVARQFDVSA-N -1 1 350.754 2.585 20 30 FFEDMM O=C([O-])COc1ccc(Br)cc1CN=Nc1ccc(F)cn1 ZINC000731321649 734674529 /nfs/dbraw/zinc/67/45/29/734674529.db2.gz NASKTHIVEAEIRF-UHFFFAOYSA-N -1 1 368.162 2.893 20 30 FFEDMM CC(C)CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1 ZINC000741111402 735117986 /nfs/dbraw/zinc/11/79/86/735117986.db2.gz MXPAXNWKPKJDFA-LBPRGKRZSA-N -1 1 359.817 2.939 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000748248080 735630206 /nfs/dbraw/zinc/63/02/06/735630206.db2.gz FLMJRGWVTRHVLK-UHFFFAOYSA-N -1 1 369.349 2.966 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cccc(OC(F)F)c1 ZINC000748248635 735630222 /nfs/dbraw/zinc/63/02/22/735630222.db2.gz SYFQRSPAVPWRSP-UHFFFAOYSA-N -1 1 371.321 2.509 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(F)c(C(F)(F)F)c2)c2ccccc21 ZINC000755639151 736267132 /nfs/dbraw/zinc/26/71/32/736267132.db2.gz FDFQMCZSDAXBCC-UHFFFAOYSA-N -1 1 371.315 2.917 20 30 FFEDMM C[C@@H](Cc1ccc(NS(=O)(=O)c2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000758168901 736458018 /nfs/dbraw/zinc/45/80/18/736458018.db2.gz DUWYPYKEUCLGCS-NSHDSACASA-N -1 1 362.382 2.761 20 30 FFEDMM CCOc1cc(C(=O)NCCNc2ccc(C#N)cn2)cc(Cl)c1[O-] ZINC000762574550 736839637 /nfs/dbraw/zinc/83/96/37/736839637.db2.gz LPMIIYSTLATALX-UHFFFAOYSA-N -1 1 360.801 2.553 20 30 FFEDMM C=C(Cl)C[C@H](NC(=O)NC[C@@H](c1ccco1)N(CC)CC)C(=O)[O-] ZINC000908876702 736850484 /nfs/dbraw/zinc/85/04/84/736850484.db2.gz ZRVKFIZXBJYOKY-STQMWFEESA-N -1 1 357.838 2.558 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1cccc(OCc2ccccc2F)c1 ZINC000766482189 737233752 /nfs/dbraw/zinc/23/37/52/737233752.db2.gz GEYQAIWVXJAHTR-UHFFFAOYSA-N -1 1 356.382 2.527 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914245870 737538112 /nfs/dbraw/zinc/53/81/12/737538112.db2.gz PEAGAZVFCRXTDD-QFIPXVFZSA-N -1 1 368.402 2.671 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(Br)s2)c2ccccc21 ZINC000914599761 737585781 /nfs/dbraw/zinc/58/57/81/737585781.db2.gz JGRMGCDDFWTRFU-UHFFFAOYSA-N -1 1 370.253 2.583 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)cc1OC ZINC000774056999 737957561 /nfs/dbraw/zinc/95/75/61/737957561.db2.gz ZNZBEOCPFNAWPP-GFCCVEGCSA-N -1 1 359.407 2.738 20 30 FFEDMM N#C[C@H](NC(=O)c1ccc(I)c([O-])c1)C1CCCC1 ZINC000921545428 738000085 /nfs/dbraw/zinc/00/00/85/738000085.db2.gz GCFVLEUHUKLLOZ-LBPRGKRZSA-N -1 1 370.190 2.809 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000775296121 738081380 /nfs/dbraw/zinc/08/13/80/738081380.db2.gz SAHYSTMLUUONCA-UHFFFAOYSA-N -1 1 365.794 2.851 20 30 FFEDMM O=C([O-])c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2Br)[nH]1 ZINC000777449582 738290821 /nfs/dbraw/zinc/29/08/21/738290821.db2.gz BBSCDHXSVXBYCI-UHFFFAOYSA-N -1 1 353.132 2.830 20 30 FFEDMM C#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1O ZINC000785405223 738961534 /nfs/dbraw/zinc/96/15/34/738961534.db2.gz QAPYCFLHMIHBOX-UHFFFAOYSA-N -1 1 365.794 2.636 20 30 FFEDMM C=C[C@](C)(CC)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000785755440 738995845 /nfs/dbraw/zinc/99/58/45/738995845.db2.gz XSGDKEJLOGWCKW-QGZVFWFLSA-N -1 1 355.337 2.690 20 30 FFEDMM CC(C)C[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OCc1ccccc1 ZINC000790019255 739407530 /nfs/dbraw/zinc/40/75/30/739407530.db2.gz OAXCCPKPZDOHJY-INIZCTEOSA-N -1 1 366.483 2.614 20 30 FFEDMM CC(=O)c1ccc(C#N)cc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798403000 740329022 /nfs/dbraw/zinc/32/90/22/740329022.db2.gz GNUOUPILUJFEAK-UHFFFAOYSA-N -1 1 353.344 2.656 20 30 FFEDMM CN(C)S(=O)(=O)c1ccc(NN=Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000812228957 741598166 /nfs/dbraw/zinc/59/81/66/741598166.db2.gz OPBRBWMRXCEBCH-UHFFFAOYSA-N -1 1 371.821 2.881 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc2c(c1)sc(=O)n2C ZINC000814886907 741872850 /nfs/dbraw/zinc/87/28/50/741872850.db2.gz JQSIIWKVZHRZKE-UHFFFAOYSA-N -1 1 357.391 2.753 20 30 FFEDMM N#CCSCCCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817291986 742118664 /nfs/dbraw/zinc/11/86/64/742118664.db2.gz GMCFLSOOOGYNFD-CYBMUJFWSA-N -1 1 357.401 2.743 20 30 FFEDMM C#CC[C@@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000843998405 747947179 /nfs/dbraw/zinc/94/71/79/747947179.db2.gz CDVVWIYVBFEEFD-LLVKDONJSA-N -1 1 369.202 2.872 20 30 FFEDMM CN(C)C[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000844527311 748047267 /nfs/dbraw/zinc/04/72/67/748047267.db2.gz ONFZUUOTZFGVJW-CYBMUJFWSA-N -1 1 360.202 2.501 20 30 FFEDMM C=C(C)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000852522288 749882633 /nfs/dbraw/zinc/88/26/33/749882633.db2.gz YOZGCLBDGJXWDX-STQMWFEESA-N -1 1 364.408 2.806 20 30 FFEDMM CCCCCCCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852735501 749938799 /nfs/dbraw/zinc/93/87/99/749938799.db2.gz ILOANMIPZCJQDZ-OLZOCXBDSA-N -1 1 352.397 2.943 20 30 FFEDMM CCCCCCCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852735499 749938911 /nfs/dbraw/zinc/93/89/11/749938911.db2.gz ILOANMIPZCJQDZ-CHWSQXEVSA-N -1 1 352.397 2.943 20 30 FFEDMM C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573299710 947100721 /nfs/dbraw/zinc/10/07/21/947100721.db2.gz GSNHAXYHJYNOFF-ZJUUUORDSA-N -1 1 363.491 2.539 20 30 FFEDMM C=CCCCCCCCNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001573335978 947494474 /nfs/dbraw/zinc/49/44/74/947494474.db2.gz YHFZADBQIQTTJH-UHFFFAOYSA-N -1 1 355.489 2.733 20 30 FFEDMM COc1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc([N+](=O)[O-])c1O ZINC000013345231 957031199 /nfs/dbraw/zinc/03/11/99/957031199.db2.gz CQWSTAVDCOFDKP-FARCUNLSSA-N -1 1 373.317 2.669 20 30 FFEDMM Cn1cc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)ccc1=O ZINC001174356106 1013182254 /nfs/dbraw/zinc/18/22/54/1013182254.db2.gz BCEYUCHVRHTFTF-GIJQJNRQSA-N -1 1 353.407 2.664 20 30 FFEDMM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)ccc1[O-] ZINC001271439166 973198033 /nfs/dbraw/zinc/19/80/33/973198033.db2.gz ZRGUHTALHCCNNF-HUUCEWRRSA-N -1 1 361.829 2.555 20 30 FFEDMM Cc1cc(C#N)cc(C)c1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000899131487 976956970 /nfs/dbraw/zinc/95/69/70/976956970.db2.gz LZAIBJIVQOQWPR-CYBMUJFWSA-N -1 1 367.371 2.706 20 30 FFEDMM C[Si](C)(C)C#Cc1ccc(NC(=N)SCCS(=O)(=O)[O-])cc1 ZINC001168090522 979243572 /nfs/dbraw/zinc/24/35/72/979243572.db2.gz KUMXAWCECNYRTF-UHFFFAOYSA-N -1 1 356.545 2.883 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](O)[C@H]2CCc2ccccc2)c1 ZINC000912176593 983972264 /nfs/dbraw/zinc/97/22/64/983972264.db2.gz FXYCVKGZYYYKJN-WOJBJXKFSA-N -1 1 350.418 2.862 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1[O-] ZINC000912183404 983976229 /nfs/dbraw/zinc/97/62/29/983976229.db2.gz ZSZCNVFZRZACII-RTBURBONSA-N -1 1 350.418 2.862 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N=C3C[C@@H](C)ON3)cc2)cc1 ZINC000763259000 989322615 /nfs/dbraw/zinc/32/26/15/989322615.db2.gz ILBDKHOPBCBDAQ-CYBMUJFWSA-N -1 1 373.434 2.648 20 30 FFEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1cccc(OCC(=O)N(C)C)c1 ZINC000920478419 990863269 /nfs/dbraw/zinc/86/32/69/990863269.db2.gz JPYOMBJCIPHDTH-UHFFFAOYSA-N -1 1 355.394 2.688 20 30 FFEDMM CN(Cc1cc(C(=O)[O-])c2n1CCCC2)C[C@H](O)c1cccc(C#N)c1 ZINC001598507409 992523616 /nfs/dbraw/zinc/52/36/16/992523616.db2.gz PLHFGKQBMGZXOQ-IBGZPJMESA-N -1 1 353.422 2.560 20 30 FFEDMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000809728572 994581350 /nfs/dbraw/zinc/58/13/50/994581350.db2.gz BTOCKYAXOZNJJX-SWLSCSKDSA-N -1 1 359.426 2.782 20 30 FFEDMM COc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1OCCCC#N ZINC001599560615 998184897 /nfs/dbraw/zinc/18/48/97/998184897.db2.gz NNQYBOQEJJQVIG-HNNXBMFYSA-N -1 1 364.467 2.770 20 30 FFEDMM C=C(Cc1ccccc1)C(=O)Nc1cccc2c(=O)cc(-c3nn[n-]n3)oc12 ZINC001144395282 998477680 /nfs/dbraw/zinc/47/76/80/998477680.db2.gz SKNQBSCRTSNIGZ-UHFFFAOYSA-N -1 1 373.372 2.711 20 30 FFEDMM C#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000733287974 998947451 /nfs/dbraw/zinc/94/74/51/998947451.db2.gz WXUQCNUKSDXELK-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCNC3=O)c2)ccc1C#N ZINC000766548360 1000009471 /nfs/dbraw/zinc/00/94/71/1000009471.db2.gz OWQAKMOIUCFKFE-UHFFFAOYSA-N -1 1 370.434 2.587 20 30 FFEDMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3nc4ncccc4cc3C#N)cc2)[n-]1 ZINC001148326416 1001114223 /nfs/dbraw/zinc/11/42/23/1001114223.db2.gz NSEBBQVKWTZFAO-UHFFFAOYSA-N -1 1 370.372 2.866 20 30 FFEDMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000785544018 1001451400 /nfs/dbraw/zinc/45/14/00/1001451400.db2.gz OJSVMBCKMDSNBW-HNNXBMFYSA-N -1 1 359.426 2.783 20 30 FFEDMM CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000785603529 1001457345 /nfs/dbraw/zinc/45/73/45/1001457345.db2.gz CYSHBJLATSGREH-UHFFFAOYSA-N -1 1 361.442 2.887 20 30 FFEDMM CC#CCCCCCCCC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC001182769757 1002047534 /nfs/dbraw/zinc/04/75/34/1002047534.db2.gz SQWBVHHJHBRLKM-UHFFFAOYSA-N -1 1 366.483 2.993 20 30 FFEDMM C=C(C)CN(CC)C(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184360261 1002566713 /nfs/dbraw/zinc/56/67/13/1002566713.db2.gz YGDMTIZHBWEGNQ-UHFFFAOYSA-N -1 1 358.438 2.663 20 30 FFEDMM N#Cc1ccc(NC(=O)c2ncccc2I)c([O-])c1 ZINC001191691275 1003931353 /nfs/dbraw/zinc/93/13/53/1003931353.db2.gz QPGIPCHWBKGIHR-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)ccc1O ZINC001197203980 1004121097 /nfs/dbraw/zinc/12/10/97/1004121097.db2.gz CJQDQOWQQKEBGP-UHFFFAOYSA-N -1 1 366.420 2.530 20 30 FFEDMM C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1c(F)ccc([O-])c1F)CC2 ZINC001192526808 1004197336 /nfs/dbraw/zinc/19/73/36/1004197336.db2.gz OKYKHQXEWXPWNS-IBGZPJMESA-N -1 1 364.392 2.844 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(I)c1 ZINC001193148613 1004390647 /nfs/dbraw/zinc/39/06/47/1004390647.db2.gz BFDLOSUAJBOZIK-ZCFIWIBFSA-N -1 1 370.599 2.598 20 30 FFEDMM C=CCCOc1ccc(C(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1 ZINC001195124519 1004897835 /nfs/dbraw/zinc/89/78/35/1004897835.db2.gz LVIBCVPCEVYMKD-UHFFFAOYSA-N -1 1 357.370 2.853 20 30 FFEDMM N#CCc1cccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)n1 ZINC001195380524 1004956519 /nfs/dbraw/zinc/95/65/19/1004956519.db2.gz XMTFNIOTQAUCQB-UHFFFAOYSA-N -1 1 366.240 2.852 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cccnc2I)c([O-])c1 ZINC001199766074 1005023403 /nfs/dbraw/zinc/02/34/03/1005023403.db2.gz VYUSTRYAKLLAFU-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1 ZINC001201322475 1005199740 /nfs/dbraw/zinc/19/97/40/1005199740.db2.gz LUDWQPRVDLYPGA-CYBMUJFWSA-N -1 1 358.419 2.944 20 30 FFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CCCOc1cccc(C#N)c1 ZINC001201766396 1005263768 /nfs/dbraw/zinc/26/37/68/1005263768.db2.gz DUBYMQQFILEOJJ-UHFFFAOYSA-N -1 1 371.871 2.724 20 30 FFEDMM CC(C)n1ccnc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000853272482 1006355647 /nfs/dbraw/zinc/35/56/47/1006355647.db2.gz WRLOZGAIFIOCCT-AWEZNQCLSA-N -1 1 370.438 2.739 20 30 FFEDMM O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1cccc([O-])c1Cl ZINC000814738800 1006421283 /nfs/dbraw/zinc/42/12/83/1006421283.db2.gz NSHLWYHSKFWOJZ-UHFFFAOYSA-N -1 1 365.780 2.823 20 30 FFEDMM CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814885799 1006458354 /nfs/dbraw/zinc/45/83/54/1006458354.db2.gz KKMAUYCOLOAKDG-IAGOWNOFSA-N -1 1 358.442 2.514 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cn2cccc(C(F)(F)F)c2n1 ZINC001152541444 1032188807 /nfs/dbraw/zinc/18/88/07/1032188807.db2.gz GUZMRJVMCYPSEG-UHFFFAOYSA-N -1 1 363.299 2.792 20 30 FFEDMM CC(C)(C)CC[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC001190445921 1007625983 /nfs/dbraw/zinc/62/59/83/1007625983.db2.gz IMEXANGQYGUPLE-CYBMUJFWSA-N -1 1 360.520 2.992 20 30 FFEDMM N#Cc1c[nH]c2cc(NC(=O)c3cnc(-c4ccccn4)[n-]c3=O)ccc12 ZINC001190632210 1007729405 /nfs/dbraw/zinc/72/94/05/1007729405.db2.gz HGBYFMFPKBMLKP-UHFFFAOYSA-N -1 1 356.345 2.849 20 30 FFEDMM N#CC1(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000822851385 1008789505 /nfs/dbraw/zinc/78/95/05/1008789505.db2.gz DRLXRFHARLXKDR-ZDUSSCGKSA-N -1 1 374.407 2.561 20 30 FFEDMM N#CCCCN1CC[C@@]2(CCCN2C(=O)c2c([O-])cccc2Cl)C1=O ZINC001274008925 1009245700 /nfs/dbraw/zinc/24/57/00/1009245700.db2.gz WCOUSVDZBUJWJN-SFHVURJKSA-N -1 1 361.829 2.556 20 30 FFEDMM C=C[C@H](CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000134738361 1009488826 /nfs/dbraw/zinc/48/88/26/1009488826.db2.gz YWHVKAHERONLEB-OAHLLOKOSA-N -1 1 350.422 2.616 20 30 FFEDMM C[C@H]1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC000863028322 1010082860 /nfs/dbraw/zinc/08/28/60/1010082860.db2.gz VYGNRHCLORZQSS-SWLSCSKDSA-N -1 1 359.426 2.782 20 30 FFEDMM CCNC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000794602046 1010435489 /nfs/dbraw/zinc/43/54/89/1010435489.db2.gz KWDUNIFBYZPONT-UHFFFAOYSA-N -1 1 372.450 2.833 20 30 FFEDMM CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(OC(F)(F)F)cc1 ZINC000794909169 1010973320 /nfs/dbraw/zinc/97/33/20/1010973320.db2.gz PZSSQYZRQYNCEH-UHFFFAOYSA-N -1 1 366.303 2.557 20 30 FFEDMM C#CCN1CC[C@@]2(CCCN(C(=O)c3ccc(Cl)cc3[O-])CC2)C1=O ZINC001274881592 1011724953 /nfs/dbraw/zinc/72/49/53/1011724953.db2.gz HSVRTRCSEDPTOC-IBGZPJMESA-N -1 1 360.841 2.524 20 30 FFEDMM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC001275053791 1011862476 /nfs/dbraw/zinc/86/24/76/1011862476.db2.gz PCENMAVQKWFZTJ-UHFFFAOYSA-N -1 1 360.429 2.952 20 30 FFEDMM C=CCn1c(C2CCCC2)nnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871057023 1012701615 /nfs/dbraw/zinc/70/16/15/1012701615.db2.gz PRRRBLJZJXLHJW-MRXNPFEDSA-N -1 1 371.407 2.769 20 30 FFEDMM N#CCCCN1CC[C@]2(CCCN2C(=O)c2cccc([O-])c2Cl)C1=O ZINC001276391687 1032696739 /nfs/dbraw/zinc/69/67/39/1032696739.db2.gz YHFHBYZODKKNKD-GOSISDBHSA-N -1 1 361.829 2.556 20 30 FFEDMM COc1ccc(-n2cc([O-])c(C(=O)OCc3cc(F)ccc3C#N)n2)cc1 ZINC000801361285 1018884379 /nfs/dbraw/zinc/88/43/79/1018884379.db2.gz FWKPPILXOVAPAK-UHFFFAOYSA-N -1 1 367.336 2.954 20 30 FFEDMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)ccc21 ZINC000901592900 1019242525 /nfs/dbraw/zinc/24/25/25/1019242525.db2.gz SXBJOFRWGLSCSI-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM CN(C(=O)C1CC1)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000901744400 1019423470 /nfs/dbraw/zinc/42/34/70/1019423470.db2.gz XDOVEZAFPBMLAZ-UHFFFAOYSA-N -1 1 369.446 2.926 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1 ZINC000901814721 1019495797 /nfs/dbraw/zinc/49/57/97/1019495797.db2.gz AJIVUZVGYOGFTL-UHFFFAOYSA-N -1 1 367.430 2.658 20 30 FFEDMM C=CCCC1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)c3ncccc3[O-])C2)CC1 ZINC001490901500 1020235876 /nfs/dbraw/zinc/23/58/76/1020235876.db2.gz WTQNAQLRLMYHSE-BTYIYWSLSA-N -1 1 369.465 2.645 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NN2C(=S)N=NC2c2ccccc2C)c1 ZINC000726736028 1020513927 /nfs/dbraw/zinc/51/39/27/1020513927.db2.gz ANFIXAWSVLEEIZ-UHFFFAOYSA-N -1 1 368.418 2.917 20 30 FFEDMM N#Cc1ccc(N2CC[C@H](OC(=O)c3c([O-])cc(F)cc3F)C2=O)cc1 ZINC000749279341 1020914595 /nfs/dbraw/zinc/91/45/95/1020914595.db2.gz CLOWYXIZNYKMSV-HNNXBMFYSA-N -1 1 358.300 2.504 20 30 FFEDMM COc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc([N+](=O)[O-])c1O ZINC000013357782 1021447568 /nfs/dbraw/zinc/44/75/68/1021447568.db2.gz OEVZARJIHNMLEH-AATRIKPKSA-N -1 1 373.317 2.669 20 30 FFEDMM CC(C)O[C@]1(CS(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)CCOC1 ZINC001119072568 1022554777 /nfs/dbraw/zinc/55/47/77/1022554777.db2.gz JLZPSCZAVBXDRD-OAHLLOKOSA-N -1 1 358.847 2.537 20 30 FFEDMM CCOC(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1C#N ZINC000752628212 1023177944 /nfs/dbraw/zinc/17/79/44/1023177944.db2.gz ZTMSEVFMKQRSBG-UHFFFAOYSA-N -1 1 369.333 2.813 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1[O-] ZINC000753007065 1023249819 /nfs/dbraw/zinc/24/98/19/1023249819.db2.gz NAJGINQMUINTTB-QGZVFWFLSA-N -1 1 371.437 2.927 20 30 FFEDMM N#CC(=C([O-])c1c[nH]c(Br)c1)c1nc(N)c2ccccc2n1 ZINC001122407086 1023250155 /nfs/dbraw/zinc/25/01/55/1023250155.db2.gz TVHICYSSHJGYQJ-SNVBAGLBSA-N -1 1 356.183 2.793 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000753136291 1023276476 /nfs/dbraw/zinc/27/64/76/1023276476.db2.gz DRYOHMXCIJNVEU-UHFFFAOYSA-N -1 1 369.402 2.897 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)Cc1ccccc1OC ZINC001122505717 1023309258 /nfs/dbraw/zinc/30/92/58/1023309258.db2.gz QEUSSISCFSMNDL-UHFFFAOYSA-N -1 1 354.414 2.595 20 30 FFEDMM C#C[C@@H](CC)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000754379638 1023462861 /nfs/dbraw/zinc/46/28/61/1023462861.db2.gz QNNYLAOYYWTEBY-INIZCTEOSA-N -1 1 374.437 2.697 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(-n2cncn2)c(C)c1 ZINC000756901267 1023765869 /nfs/dbraw/zinc/76/58/69/1023765869.db2.gz MVBIZYZGXIWFPM-UHFFFAOYSA-N -1 1 351.366 2.729 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001121498906 1023812844 /nfs/dbraw/zinc/81/28/44/1023812844.db2.gz JSFKJNXSGRMAED-LBPRGKRZSA-N -1 1 370.457 2.508 20 30 FFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc(-n3cncn3)c(F)c2)c1 ZINC000757474450 1023823129 /nfs/dbraw/zinc/82/31/29/1023823129.db2.gz TVXLWMCXZQWZPC-DJWKRKHSSA-N -1 1 353.309 2.706 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N(C)Cc1ncc(CC)s1 ZINC001121716969 1023943504 /nfs/dbraw/zinc/94/35/04/1023943504.db2.gz SXWNFFAUYDFYSF-UHFFFAOYSA-N -1 1 364.866 2.558 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cn2c(cccc2Br)n1 ZINC001153117885 1027777546 /nfs/dbraw/zinc/77/75/46/1027777546.db2.gz PPCKVORFKOZNHY-UHFFFAOYSA-N -1 1 374.198 2.536 20 30 FFEDMM C=C1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1 ZINC001153448439 1027886426 /nfs/dbraw/zinc/88/64/26/1027886426.db2.gz XNPUNDGXBPBMFW-UHFFFAOYSA-N -1 1 364.467 2.862 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NCC(=O)Nc2ccc(F)cc2)n1 ZINC001161342904 1028140151 /nfs/dbraw/zinc/14/01/51/1028140151.db2.gz MWUPQTGGBFYPAB-NGYBGAFCSA-N -1 1 369.809 2.850 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cn3cc(Br)sc3n2)c([O-])c1 ZINC001154127783 1028159636 /nfs/dbraw/zinc/15/96/36/1028159636.db2.gz PZYVIWXWBCPVEU-UHFFFAOYSA-N -1 1 363.196 2.988 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc(=O)c2c1 ZINC001154555668 1028350854 /nfs/dbraw/zinc/35/08/54/1028350854.db2.gz GKSJFTWNORIJLV-HXUWFJFHSA-N -1 1 359.385 2.613 20 30 FFEDMM NC(=O)c1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ncc1Cl ZINC001155909652 1028970880 /nfs/dbraw/zinc/97/08/80/1028970880.db2.gz UJQWRDSIWFPZQU-UHFFFAOYSA-N -1 1 374.706 2.980 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NC[C@@H](O)COc2ccccc2)n1 ZINC001155933832 1028979649 /nfs/dbraw/zinc/97/96/49/1028979649.db2.gz AQVBIMSBZFLKMR-NCMFSIOGSA-N -1 1 368.846 2.512 20 30 FFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1occ2c1CCOC2 ZINC000796801835 1030920761 /nfs/dbraw/zinc/92/07/61/1030920761.db2.gz YTLPSEIQJGVURL-CQSZACIVSA-N -1 1 354.362 2.712 20 30 FFEDMM C=CCOC(=O)N[C@H]1CCCN(C(=O)c2cc3cccc(O)c3cc2[O-])C1 ZINC001149651483 1031560698 /nfs/dbraw/zinc/56/06/98/1031560698.db2.gz NKEZTFTVKOSAEX-AWEZNQCLSA-N -1 1 370.405 2.768 20 30 FFEDMM N#Cc1cccnc1-n1cc([N-]S(=O)(=O)/C=C\c2ccccc2F)cn1 ZINC000799924275 1031924744 /nfs/dbraw/zinc/92/47/44/1031924744.db2.gz BCGHZHKINYFSPV-CLFYSBASSA-N -1 1 369.381 2.691 20 30 FFEDMM Cn1cc(CNC(=O)c2c(F)ccc([O-])c2F)c(-c2ccc(C#N)cc2)n1 ZINC001138163254 1033883736 /nfs/dbraw/zinc/88/37/36/1033883736.db2.gz GAXWKHNYWSYLPI-UHFFFAOYSA-N -1 1 368.343 2.873 20 30 FFEDMM C=C1CCC(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CC1 ZINC000831002257 1033907537 /nfs/dbraw/zinc/90/75/37/1033907537.db2.gz URIVIXHYTYKEJC-UHFFFAOYSA-N -1 1 352.438 2.958 20 30 FFEDMM C=C[C@@H]1O[C@H](Oc2cc([O-])cc3oc(=O)cc(C)c23)[C@H]2OC(C)(C)O[C@@H]12 ZINC001226484261 1034708109 /nfs/dbraw/zinc/70/81/09/1034708109.db2.gz BVCUPTPVBLMMKR-ATEKPKPVSA-N -1 1 360.362 2.617 20 30 FFEDMM C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001277167556 1034888192 /nfs/dbraw/zinc/88/81/92/1034888192.db2.gz AKYLWPZQCLPECB-FQEVSTJZSA-N -1 1 358.438 2.536 20 30 FFEDMM O=c1[nH]c2nc(O[C@H]3Cc4ccccc4C#Cc4ccccc43)[n-]c2c(=O)[nH]1 ZINC001227431593 1035551864 /nfs/dbraw/zinc/55/18/64/1035551864.db2.gz WRDPEDFXOVLDKC-INIZCTEOSA-N -1 1 370.368 2.840 20 30 FFEDMM O=c1[nH]c2[n-]c(O[C@H]3Cc4ccccc4C#Cc4ccccc43)nc2c(=O)[nH]1 ZINC001227431593 1035551868 /nfs/dbraw/zinc/55/18/68/1035551868.db2.gz WRDPEDFXOVLDKC-INIZCTEOSA-N -1 1 370.368 2.840 20 30 FFEDMM CC[C@H](C#CC(=O)OC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227577401 1035613838 /nfs/dbraw/zinc/61/38/38/1035613838.db2.gz JZEOSLMWNZDLNB-GFCCVEGCSA-N -1 1 364.353 2.501 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)C2Oc1cc([O-])ccc1C#N ZINC001228005394 1035865673 /nfs/dbraw/zinc/86/56/73/1035865673.db2.gz MXRADXZHMFZFFN-VMZNBEPHSA-N -1 1 360.410 2.525 20 30 FFEDMM CCC(=O)[C@H]1C[C@@H](Oc2cc([O-])ccc2C#N)CN1C(=O)OC(C)(C)C ZINC001228006465 1035868250 /nfs/dbraw/zinc/86/82/50/1035868250.db2.gz CDUHBDSYRPNRMT-HUUCEWRRSA-N -1 1 360.410 3.000 20 30 FFEDMM C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)nc(Cl)c1[O-])CC2 ZINC001277332041 1036341119 /nfs/dbraw/zinc/34/11/19/1036341119.db2.gz YICJOYCCMXKKDM-LBPRGKRZSA-N -1 1 370.280 2.998 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc([O-])c(F)c2F)[C@@H](C#N)C1 ZINC001140888332 1036381933 /nfs/dbraw/zinc/38/19/33/1036381933.db2.gz OZKJWMQAFHBIRL-LBPRGKRZSA-N -1 1 353.369 2.615 20 30 FFEDMM C#C[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)cc(Br)c2[O-])C1 ZINC001233308563 1036514561 /nfs/dbraw/zinc/51/45/61/1036514561.db2.gz WCXUHYBBQWWQMB-LLVKDONJSA-N -1 1 352.228 2.787 20 30 FFEDMM C#C[C@@H]1CCCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])C1 ZINC001233308563 1036514565 /nfs/dbraw/zinc/51/45/65/1036514565.db2.gz WCXUHYBBQWWQMB-LLVKDONJSA-N -1 1 352.228 2.787 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2[O-])CC1(F)F ZINC001233386810 1036589372 /nfs/dbraw/zinc/58/93/72/1036589372.db2.gz JUHJKBJTGAKPJF-HNNXBMFYSA-N -1 1 367.396 2.998 20 30 FFEDMM CCC1=C(Oc2cc(C(=O)OC)cc([O-])c2Br)C(=O)[C@H](C)O1 ZINC001233902388 1036814343 /nfs/dbraw/zinc/81/43/43/1036814343.db2.gz AWMRYTQZIWXCLK-ZETCQYMHSA-N -1 1 371.183 2.930 20 30 FFEDMM C#C[C@H]1CCC[C@H]1Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792869 1036902750 /nfs/dbraw/zinc/90/27/50/1036902750.db2.gz UMJNXFGIGOYMGJ-MGPLVRAMSA-N -1 1 370.357 2.626 20 30 FFEDMM C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)C1=O ZINC001276557470 1038065580 /nfs/dbraw/zinc/06/55/80/1038065580.db2.gz AJSLUCPMONYWAZ-IBGZPJMESA-N -1 1 364.392 2.588 20 30 FFEDMM C=C(C)CN1CC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)OCC1=O ZINC001277993414 1038174187 /nfs/dbraw/zinc/17/41/87/1038174187.db2.gz YOWOBJJGQKJABF-UHFFFAOYSA-N -1 1 371.264 2.688 20 30 FFEDMM COc1ncc(-c2ccc3ncccc3c2C#N)cc1[N-]S(C)(=O)=O ZINC001244795679 1038782552 /nfs/dbraw/zinc/78/25/52/1038782552.db2.gz IFOVRZCPFYCVMB-UHFFFAOYSA-N -1 1 354.391 2.549 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1O ZINC001257863890 1039022497 /nfs/dbraw/zinc/02/24/97/1039022497.db2.gz UVVNEHVTXNLICA-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM CCOc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc(C(=O)OC)c1 ZINC001258126558 1039202710 /nfs/dbraw/zinc/20/27/10/1039202710.db2.gz RUFLBDKTDQCMSG-UHFFFAOYSA-N -1 1 360.391 2.544 20 30 FFEDMM CCOC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258132630 1039208117 /nfs/dbraw/zinc/20/81/17/1039208117.db2.gz OBRUMSIOELUTJE-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM CC1(C)COC(c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)=N1 ZINC001258135685 1039212294 /nfs/dbraw/zinc/21/22/94/1039212294.db2.gz DHUQZSCAUFZSAL-UHFFFAOYSA-N -1 1 355.419 2.914 20 30 FFEDMM N#Cc1cc(N(c2nccs2)S(=O)(=O)c2ccc(N)cc2)ccc1[O-] ZINC001210533086 1039596651 /nfs/dbraw/zinc/59/66/51/1039596651.db2.gz UGRQHDAWXXCQPI-UHFFFAOYSA-N -1 1 372.431 2.830 20 30 FFEDMM N#Cc1ccccc1OCCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259043829 1039667816 /nfs/dbraw/zinc/66/78/16/1039667816.db2.gz DXEMOLFJDSOZOX-UHFFFAOYSA-N -1 1 370.352 2.723 20 30 FFEDMM COCCOc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259125589 1039732581 /nfs/dbraw/zinc/73/25/81/1039732581.db2.gz KLNIBDIQCXYXEM-UHFFFAOYSA-N -1 1 350.371 2.523 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2CN2CCCC2=O)ccc1F ZINC001259418776 1039987344 /nfs/dbraw/zinc/98/73/44/1039987344.db2.gz QXHADALSMUEOJD-UHFFFAOYSA-N -1 1 373.409 2.621 20 30 FFEDMM C=CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)OC ZINC001260474468 1040615513 /nfs/dbraw/zinc/61/55/13/1040615513.db2.gz MOAIQGJGWVAGHV-LLVKDONJSA-N -1 1 358.268 2.841 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)cn1 ZINC001261036107 1040953751 /nfs/dbraw/zinc/95/37/51/1040953751.db2.gz GSMFZDQQMQZHPH-UHFFFAOYSA-N -1 1 367.224 2.635 20 30 FFEDMM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1F ZINC001261073249 1040982092 /nfs/dbraw/zinc/98/20/92/1040982092.db2.gz UCQUMEUAZXACFN-UHFFFAOYSA-N -1 1 370.724 2.827 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1C#N ZINC001254959559 1041071731 /nfs/dbraw/zinc/07/17/31/1041071731.db2.gz SJQYPBNYAXFALN-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001262943000 1041978934 /nfs/dbraw/zinc/97/89/34/1041978934.db2.gz DFQXGNLOQYFBDX-RYUDHWBXSA-N -1 1 372.498 2.834 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001262990751 1042015064 /nfs/dbraw/zinc/01/50/64/1042015064.db2.gz NCPUUKOYFHEZNY-LLVKDONJSA-N -1 1 371.832 2.690 20 30 FFEDMM CCOC(=O)c1noc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1C ZINC001538349302 1070414803 /nfs/dbraw/zinc/41/48/03/1070414803.db2.gz MGECBUAAMMBBSJ-UHFFFAOYSA-N -1 1 366.333 2.939 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OCC ZINC001309761347 1043512402 /nfs/dbraw/zinc/51/24/02/1043512402.db2.gz NQEDVWFZNOJJGY-HNNXBMFYSA-N -1 1 359.875 2.797 20 30 FFEDMM C[C@@H]1CCc2sc(C(=O)N=C3[N-]S(=O)(=O)c4ccccc43)cc2C1 ZINC001317899572 1045165152 /nfs/dbraw/zinc/16/51/52/1045165152.db2.gz XXRVCNNWGXDWIF-SNVBAGLBSA-N -1 1 360.460 2.752 20 30 FFEDMM CCc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cccc(C#N)c3)n2)cc1 ZINC001320880527 1045487058 /nfs/dbraw/zinc/48/70/58/1045487058.db2.gz OIEUTVIFPPMBAY-UHFFFAOYSA-N -1 1 352.419 2.880 20 30 FFEDMM CCc1ccc(-c2nc(S(=O)(=O)Cc3cccc(C#N)c3)n[n-]2)cc1 ZINC001320880527 1045487062 /nfs/dbraw/zinc/48/70/62/1045487062.db2.gz OIEUTVIFPPMBAY-UHFFFAOYSA-N -1 1 352.419 2.880 20 30 FFEDMM O=S1(=O)[N-]/C(=N/[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccccc21 ZINC001325083822 1046366355 /nfs/dbraw/zinc/36/63/55/1046366355.db2.gz GMJVZAIZWNLWTG-GXFFZTMASA-N -1 1 352.337 2.699 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCCCCc2nnc(C3CCC3)o2)c2ccccc21 ZINC001326211729 1046813905 /nfs/dbraw/zinc/81/39/05/1046813905.db2.gz WKEGMOGOWOYALJ-UHFFFAOYSA-N -1 1 374.466 2.789 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001342279822 1050872757 /nfs/dbraw/zinc/87/27/57/1050872757.db2.gz ORQKGFRXBYFRAR-RISCZKNCSA-N -1 1 363.849 2.746 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1cccc(C)c1C ZINC001340728711 1051088170 /nfs/dbraw/zinc/08/81/70/1051088170.db2.gz IWEBDPKDXRQLKE-HNNXBMFYSA-N -1 1 350.430 2.603 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1cccc(C)c1C ZINC001340728711 1051088179 /nfs/dbraw/zinc/08/81/79/1051088179.db2.gz IWEBDPKDXRQLKE-HNNXBMFYSA-N -1 1 350.430 2.603 20 30 FFEDMM C=C(C)CN(Cc1ccccc1)c1nnc(-c2c[n-][nH]c2=O)n1CCOC ZINC001342876738 1051486731 /nfs/dbraw/zinc/48/67/31/1051486731.db2.gz QDCHOWVYTUZGBK-UHFFFAOYSA-N -1 1 368.441 2.603 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@H](OCC)C1 ZINC001346582466 1053127385 /nfs/dbraw/zinc/12/73/85/1053127385.db2.gz JKTPNVVHWTZUBL-LBPRGKRZSA-N -1 1 363.849 2.890 20 30 FFEDMM COc1cnc([C@@H]2CCCN2c2cc(C(F)(F)F)cc(C#N)n2)[n-]c1=O ZINC001335118526 1053223709 /nfs/dbraw/zinc/22/37/09/1053223709.db2.gz RPGPOBVFBVIZOY-NSHDSACASA-N -1 1 365.315 2.818 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCO[C@@H](C(C)C)C1 ZINC001351922080 1055066893 /nfs/dbraw/zinc/06/68/93/1055066893.db2.gz YOLSQKZRILCYRE-CQSZACIVSA-N -1 1 363.849 2.746 20 30 FFEDMM C#Cc1cncc(C(=O)NC2=C(C(=O)OCC)C(C)=Nc3ccccc3[N-]2)c1 ZINC001349392555 1055224727 /nfs/dbraw/zinc/22/47/27/1055224727.db2.gz RPZDJZBPKVOREJ-UHFFFAOYSA-N -1 1 374.400 2.786 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)Cc1ccns1 ZINC001338862053 1055879985 /nfs/dbraw/zinc/87/99/85/1055879985.db2.gz BQCBRFNPXRBNKF-UHFFFAOYSA-N -1 1 369.454 2.597 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000848342415 1059812635 /nfs/dbraw/zinc/81/26/35/1059812635.db2.gz OINNSMQGHGEPOR-IUODEOHRSA-N -1 1 367.371 2.549 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)[C@@H]1CCSC1 ZINC001515916228 1059887878 /nfs/dbraw/zinc/88/78/78/1059887878.db2.gz WZAZDELXVAUPTO-CYBMUJFWSA-N -1 1 372.498 2.836 20 30 FFEDMM C[C@H](O)[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1Cl)c1ccccc1F ZINC001475456202 1061098498 /nfs/dbraw/zinc/09/84/98/1061098498.db2.gz BGOVXWFYDVAPSI-QFYYESIMSA-N -1 1 368.817 2.751 20 30 FFEDMM C[C@H](O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1F ZINC001464008970 1062378798 /nfs/dbraw/zinc/37/87/98/1062378798.db2.gz PHCVKFAGIJTKRS-QFYYESIMSA-N -1 1 368.817 2.751 20 30 FFEDMM N#Cc1cccc(-c2cc(C(=O)[N-]c3nnc4ccc(Cl)nn43)on2)c1 ZINC001525459745 1063303468 /nfs/dbraw/zinc/30/34/68/1063303468.db2.gz ODNIBMPFHCYKTA-UHFFFAOYSA-N -1 1 365.740 2.557 20 30 FFEDMM N#Cc1ccc(N2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)c(F)c1 ZINC001546180569 1064337938 /nfs/dbraw/zinc/33/79/38/1064337938.db2.gz XDLMDOKVHIYGQW-UHFFFAOYSA-N -1 1 373.815 2.948 20 30 FFEDMM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(F)c1[O-] ZINC001471166413 1064585741 /nfs/dbraw/zinc/58/57/41/1064585741.db2.gz JALCTSJRMDEJBG-UHFFFAOYSA-N -1 1 353.357 2.634 20 30 FFEDMM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575190455 1078115573 /nfs/dbraw/zinc/11/55/73/1078115573.db2.gz SJYYWESGXVHVCK-MRVPVSSYSA-N -1 1 373.829 2.666 20 30 FFEDMM Cc1cc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc(C)c1C#N ZINC001580887604 1078886826 /nfs/dbraw/zinc/88/68/26/1078886826.db2.gz YXGIDYXFDGAHBA-UHFFFAOYSA-N -1 1 359.802 2.717 20 30 FFEDMM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001558516101 1076022177 /nfs/dbraw/zinc/02/21/77/1076022177.db2.gz NBDQXVOODJSZBX-LJQANCHMSA-N -1 1 371.387 2.870 20 30 FFEDMM C=CC(C)(C)CC(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001573991104 1077867106 /nfs/dbraw/zinc/86/71/06/1077867106.db2.gz MLXKQBWPFWTHRQ-HUUCEWRRSA-N -1 1 359.470 2.604 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1C ZINC001574369361 1077970319 /nfs/dbraw/zinc/97/03/19/1077970319.db2.gz WWUYAWCCGBDSDX-IAGOWNOFSA-N -1 1 357.454 2.735 20 30 FFEDMM C=C[C@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC001588700780 1079584226 /nfs/dbraw/zinc/58/42/26/1079584226.db2.gz LFKVJZMAIJFSQW-JTQLQIEISA-N -1 1 351.571 2.673 20 30 FFEDMM C#C[C@@H](CC)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001588326199 1079983503 /nfs/dbraw/zinc/98/35/03/1079983503.db2.gz GUKZSDMSTASYEW-ZDUSSCGKSA-N -1 1 365.368 2.940 20 30 FFEDMM C#C[C@@H](CC)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001588326199 1079983508 /nfs/dbraw/zinc/98/35/08/1079983508.db2.gz GUKZSDMSTASYEW-ZDUSSCGKSA-N -1 1 365.368 2.940 20 30 FFEDMM C#CC[C@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001588434616 1080026670 /nfs/dbraw/zinc/02/66/70/1080026670.db2.gz OUONPBAEWSGVHD-ZDUSSCGKSA-N -1 1 360.479 2.999 20 30 FFEDMM C=CCCC(C)(C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001588577108 1080105570 /nfs/dbraw/zinc/10/55/70/1080105570.db2.gz CQULRCWSMSETIH-UHFFFAOYSA-N -1 1 355.851 2.543 20 30 FFEDMM C=CCCC(C)(C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001588577108 1080105575 /nfs/dbraw/zinc/10/55/75/1080105575.db2.gz CQULRCWSMSETIH-UHFFFAOYSA-N -1 1 355.851 2.543 20 30 FFEDMM C=CCCC[C@@H](C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001588594972 1080116701 /nfs/dbraw/zinc/11/67/01/1080116701.db2.gz WXFZBUKGYYDIER-CQSZACIVSA-N -1 1 351.414 2.977 20 30 FFEDMM C=CCCOCCCCC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588618193 1080124129 /nfs/dbraw/zinc/12/41/29/1080124129.db2.gz YJTAUJWXZQFFAE-UHFFFAOYSA-N -1 1 365.384 2.524 20 30 FFEDMM C=CCCOCCCCC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588618193 1080124132 /nfs/dbraw/zinc/12/41/32/1080124132.db2.gz YJTAUJWXZQFFAE-UHFFFAOYSA-N -1 1 365.384 2.524 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001588705633 1080162899 /nfs/dbraw/zinc/16/28/99/1080162899.db2.gz ZFIODCQCWSQSSO-OCCSQVGLSA-N -1 1 366.429 2.673 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001588705633 1080162901 /nfs/dbraw/zinc/16/29/01/1080162901.db2.gz ZFIODCQCWSQSSO-OCCSQVGLSA-N -1 1 366.429 2.673 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cnn(CC3CCC3)c2)o1 ZINC001588781206 1080193088 /nfs/dbraw/zinc/19/30/88/1080193088.db2.gz LUTRWVQEVPVZJW-UHFFFAOYSA-N -1 1 369.433 2.811 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)c(O)c2)o1 ZINC001588781483 1080193527 /nfs/dbraw/zinc/19/35/27/1080193527.db2.gz DRMDLPNNVSTDBN-UHFFFAOYSA-N -1 1 359.365 2.734 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2csc([N+](=O)[O-])c2)o1 ZINC001589238073 1080440516 /nfs/dbraw/zinc/44/05/16/1080440516.db2.gz NVYSCLZGGXJPPY-UHFFFAOYSA-N -1 1 362.375 2.568 20 30 FFEDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC001589250470 1080447407 /nfs/dbraw/zinc/44/74/07/1080447407.db2.gz WOFBWENZPSJYOX-UHFFFAOYSA-N -1 1 370.804 2.596 20 30 FFEDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC001589250470 1080447410 /nfs/dbraw/zinc/44/74/10/1080447410.db2.gz WOFBWENZPSJYOX-UHFFFAOYSA-N -1 1 370.804 2.596 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccnc(Cl)c2F)o1 ZINC001589664436 1080657715 /nfs/dbraw/zinc/65/77/15/1080657715.db2.gz CCQUDMCRBNMFMY-UHFFFAOYSA-N -1 1 364.772 2.687 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cn3cc(Cl)ccc3n2)o1 ZINC001589773871 1080728732 /nfs/dbraw/zinc/72/87/32/1080728732.db2.gz PQETVEZFWHPMJM-UHFFFAOYSA-N -1 1 371.792 2.725 20 30 FFEDMM C[C@H](c1cccc(C(F)(F)F)c1)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590048381 1080975978 /nfs/dbraw/zinc/97/59/78/1080975978.db2.gz GLTYXDDGJRDTDI-SECBINFHSA-N -1 1 374.330 2.745 20 30 FFEDMM C[C@H](c1cccc(C(F)(F)F)c1)N(C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590048381 1080975981 /nfs/dbraw/zinc/97/59/81/1080975981.db2.gz GLTYXDDGJRDTDI-SECBINFHSA-N -1 1 374.330 2.745 20 30 FFEDMM CC(=O)c1ccc(C#N)c(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290735816 257355247 /nfs/dbraw/zinc/35/52/47/257355247.db2.gz QYSNXQYPHADULB-LBPRGKRZSA-N -1 1 353.344 2.656 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC=CCC2)cc1Br ZINC000331312249 258182160 /nfs/dbraw/zinc/18/21/60/258182160.db2.gz HUGVGBDPCZYILD-JTQLQIEISA-N -1 1 359.220 2.847 20 30 FFEDMM N#CCN(C(=O)c1ccc(I)c([O-])c1)C1CCCC1 ZINC000230895584 509439373 /nfs/dbraw/zinc/43/93/73/509439373.db2.gz FPLFNXCHZMXXFJ-UHFFFAOYSA-N -1 1 370.190 2.905 20 30 FFEDMM COc1ccc(-c2nc(C=C([O-])NC3=NCCS3)cs2)cc1OC ZINC000036724747 506413526 /nfs/dbraw/zinc/41/35/26/506413526.db2.gz KLRWFDNYBAQCTO-UHFFFAOYSA-N -1 1 363.464 2.589 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)c1 ZINC000066587705 506564078 /nfs/dbraw/zinc/56/40/78/506564078.db2.gz KVJRHQXKBZKLCS-UHFFFAOYSA-N -1 1 360.435 2.802 20 30 FFEDMM CCN(CC)[C@@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccco1 ZINC000067593564 506941197 /nfs/dbraw/zinc/94/11/97/506941197.db2.gz BHUZTYYNBMBREG-AWEZNQCLSA-N -1 1 374.466 2.787 20 30 FFEDMM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)CCO1 ZINC000062553698 507674869 /nfs/dbraw/zinc/67/48/69/507674869.db2.gz LWGOBMGSLGKXDY-AWEZNQCLSA-N -1 1 357.435 2.584 20 30 FFEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)n[nH]1 ZINC000076936333 508263741 /nfs/dbraw/zinc/26/37/41/508263741.db2.gz MTBBKBLRVYYPJB-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM C#Cc1cccc(N(CC)C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000103101487 508296582 /nfs/dbraw/zinc/29/65/82/508296582.db2.gz SUCZHPVDFYPWRL-UHFFFAOYSA-N -1 1 372.428 2.717 20 30 FFEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000077699464 508353650 /nfs/dbraw/zinc/35/36/50/508353650.db2.gz QRFOHOHDKYPZFO-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc(C(C)(C)C)no1 ZINC000123612995 508715115 /nfs/dbraw/zinc/71/51/15/508715115.db2.gz RHIPJLJFNRPZAZ-VIFPVBQESA-N -1 1 368.846 2.932 20 30 FFEDMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc12 ZINC000158574658 508723490 /nfs/dbraw/zinc/72/34/90/508723490.db2.gz OJQURKKFUPOBGA-UHFFFAOYSA-N -1 1 361.814 2.603 20 30 FFEDMM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000155586878 509032079 /nfs/dbraw/zinc/03/20/79/509032079.db2.gz LUPVXAMFEXDLOV-CQSZACIVSA-N -1 1 373.416 2.558 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3(C#N)CC3)cc2)c1 ZINC000160904269 509046050 /nfs/dbraw/zinc/04/60/50/509046050.db2.gz MRJIGBZBQIADQJ-UHFFFAOYSA-N -1 1 369.446 2.890 20 30 FFEDMM N#Cc1ccc(C(=O)NCCNc2cccc(Br)c2)cc1[O-] ZINC000189194479 509457692 /nfs/dbraw/zinc/45/76/92/509457692.db2.gz HTSSMQSHPOFDJO-UHFFFAOYSA-N -1 1 360.211 2.868 20 30 FFEDMM CSCC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nnc2ccccn21 ZINC000189959116 509853229 /nfs/dbraw/zinc/85/32/29/509853229.db2.gz SHWHQWHMKQEZPK-AWEZNQCLSA-N -1 1 367.434 2.531 20 30 FFEDMM N#Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1[O-] ZINC000189999179 509876045 /nfs/dbraw/zinc/87/60/45/509876045.db2.gz CUGBPGNAHLQIQH-UHFFFAOYSA-N -1 1 364.405 2.690 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1[O-] ZINC000187949184 510517074 /nfs/dbraw/zinc/51/70/74/510517074.db2.gz MRBYZILLIAWRBC-UHFFFAOYSA-N -1 1 367.380 2.894 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)o1 ZINC000330580777 511000579 /nfs/dbraw/zinc/00/05/79/511000579.db2.gz PZVBYQFTIQXFOW-ZDUSSCGKSA-N -1 1 367.471 2.559 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(C)c1 ZINC000279823879 511229311 /nfs/dbraw/zinc/22/93/11/511229311.db2.gz BHWWJUYDISAQNA-UHFFFAOYSA-N -1 1 360.435 2.887 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c([N+](=O)[O-])c1 ZINC000325775324 511852055 /nfs/dbraw/zinc/85/20/55/511852055.db2.gz WRKSXTBAKGRXMM-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM N#Cc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)ccc1F ZINC000376104687 512662708 /nfs/dbraw/zinc/66/27/08/512662708.db2.gz XKDLIHSIKVDANU-AWEZNQCLSA-N -1 1 374.738 2.522 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c(Cl)c1 ZINC000391191464 512915552 /nfs/dbraw/zinc/91/55/52/512915552.db2.gz RNVUTPVWPWEQGO-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000392638245 512926945 /nfs/dbraw/zinc/92/69/45/512926945.db2.gz JRLMDUTVUSEENJ-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-]CC(=O)c2c(F)cccc2F)CCCCC1 ZINC000425199095 513448867 /nfs/dbraw/zinc/44/88/67/513448867.db2.gz YWBCPKZGYSHZMS-UHFFFAOYSA-N -1 1 356.394 2.541 20 30 FFEDMM N#Cc1ccccc1CS(=O)(=O)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000429887740 513491140 /nfs/dbraw/zinc/49/11/40/513491140.db2.gz FFHAVMPSEKEWPH-UHFFFAOYSA-N -1 1 364.430 2.806 20 30 FFEDMM N#Cc1ccccc1CS(=O)(=O)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000429887740 513491146 /nfs/dbraw/zinc/49/11/46/513491146.db2.gz FFHAVMPSEKEWPH-UHFFFAOYSA-N -1 1 364.430 2.806 20 30 FFEDMM Cn1c2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2[nH]c1=O ZINC000442237752 513688097 /nfs/dbraw/zinc/68/80/97/513688097.db2.gz HFMPMLABUDUQAG-UHFFFAOYSA-N -1 1 362.798 2.605 20 30 FFEDMM C=CCOc1ccccc1C(=O)N=c1[nH][n-]c(CC)c1Br ZINC000448317470 513732907 /nfs/dbraw/zinc/73/29/07/513732907.db2.gz IEVJCRBVDMHHGF-UHFFFAOYSA-N -1 1 350.216 2.974 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)cc1Br ZINC000451558254 513833071 /nfs/dbraw/zinc/83/30/71/513833071.db2.gz ZAVDCNUOLAVNJJ-IUCAKERBSA-N -1 1 365.199 2.629 20 30 FFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000416662685 513895441 /nfs/dbraw/zinc/89/54/41/513895441.db2.gz OYLOEPREFOLSCX-HNNXBMFYSA-N -1 1 374.418 2.684 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2c1ccn(C)c2=O ZINC000443534746 513989577 /nfs/dbraw/zinc/98/95/77/513989577.db2.gz ZXZYVKNLINKSCH-UHFFFAOYSA-N -1 1 353.403 2.519 20 30 FFEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)C#N)cc2)cc1 ZINC000432125664 514100950 /nfs/dbraw/zinc/10/09/50/514100950.db2.gz HLYDWSSASJPOPO-ZDUSSCGKSA-N -1 1 373.434 2.528 20 30 FFEDMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427116939 514121227 /nfs/dbraw/zinc/12/12/27/514121227.db2.gz IUAVNQPDMHZAJZ-UHFFFAOYSA-N -1 1 373.409 2.699 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)n[nH]c1-c1ccccc1 ZINC000427744641 514300183 /nfs/dbraw/zinc/30/01/83/514300183.db2.gz MFFJPDRHGZGWKZ-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1F ZINC000427759187 514304526 /nfs/dbraw/zinc/30/45/26/514304526.db2.gz MATPPQKGYAUCCM-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1C#N ZINC000427789725 514315248 /nfs/dbraw/zinc/31/52/48/514315248.db2.gz PNTPFVOTNKWPIJ-UHFFFAOYSA-N -1 1 360.414 2.802 20 30 FFEDMM C=C[C@@H](CCC(=O)[O-])NCc1ccc(F)cc1I ZINC000417615846 514438634 /nfs/dbraw/zinc/43/86/34/514438634.db2.gz XUGIJMFLXJNPNT-NSHDSACASA-N -1 1 363.170 2.939 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccccc2CC#N)cc(-n2cccn2)c1 ZINC000475836671 514830593 /nfs/dbraw/zinc/83/05/93/514830593.db2.gz USAGHQMHIGVAHX-UHFFFAOYSA-N -1 1 368.418 2.748 20 30 FFEDMM CC(C)[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000468140503 515238862 /nfs/dbraw/zinc/23/88/62/515238862.db2.gz QDBCQXZMDCHWBI-KRWDZBQOSA-N -1 1 357.435 2.765 20 30 FFEDMM C=CCCS(=O)(=O)[N-]c1cc(Br)ccc1OCCOC ZINC000477343947 515421014 /nfs/dbraw/zinc/42/10/14/515421014.db2.gz ZREDUSLNFLSVSO-UHFFFAOYSA-N -1 1 364.261 2.792 20 30 FFEDMM COc1ccc(Nc2n[nH]c([N-]S(=O)(=O)CCC3CC3)c2C#N)cc1 ZINC000463382078 515469657 /nfs/dbraw/zinc/46/96/57/515469657.db2.gz PQQHQBKKOVSNMY-UHFFFAOYSA-N -1 1 361.427 2.575 20 30 FFEDMM CC(C)CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000505212380 515476703 /nfs/dbraw/zinc/47/67/03/515476703.db2.gz AIGVTJDAFHTSNW-UHFFFAOYSA-N -1 1 369.487 2.758 20 30 FFEDMM C=C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000465111068 516065617 /nfs/dbraw/zinc/06/56/17/516065617.db2.gz RGZKGZMVRUUYDD-CYBMUJFWSA-N -1 1 360.435 2.800 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)c1 ZINC000479139007 516073842 /nfs/dbraw/zinc/07/38/42/516073842.db2.gz ZEMFABMVZKQDGU-UHFFFAOYSA-N -1 1 370.434 2.588 20 30 FFEDMM C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557797050 516444113 /nfs/dbraw/zinc/44/41/13/516444113.db2.gz CAIXPIASZSJXJU-SNVBAGLBSA-N -1 1 369.240 2.823 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C1CCCCC1 ZINC000547801727 516572317 /nfs/dbraw/zinc/57/23/17/516572317.db2.gz QGOPCMUZOCVDHZ-OAHLLOKOSA-N -1 1 356.488 2.502 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2C(F)(F)F)o1 ZINC000561506312 516621848 /nfs/dbraw/zinc/62/18/48/516621848.db2.gz PCJKYUHWSQVIMI-UHFFFAOYSA-N -1 1 360.313 2.527 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)cc2)o1 ZINC000561545033 516643460 /nfs/dbraw/zinc/64/34/60/516643460.db2.gz JBQJXZZWVKYXAN-QWHCGFSZSA-N -1 1 367.224 2.748 20 30 FFEDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C2CC2)no1 ZINC000518469413 516672624 /nfs/dbraw/zinc/67/26/24/516672624.db2.gz ZINHVFJMACOJTN-HNNXBMFYSA-N -1 1 366.830 2.507 20 30 FFEDMM Cc1ncncc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000513653556 516706650 /nfs/dbraw/zinc/70/66/50/516706650.db2.gz GBBRTXRWBMNEQA-NSHDSACASA-N -1 1 365.418 2.864 20 30 FFEDMM CC#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000561700429 516721819 /nfs/dbraw/zinc/72/18/19/516721819.db2.gz AWEMSZZSQGGBOU-UHFFFAOYSA-N -1 1 360.410 2.722 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1NC(C)=O ZINC000524850749 516846712 /nfs/dbraw/zinc/84/67/12/516846712.db2.gz BZFQKINNYKCHOE-UHFFFAOYSA-N -1 1 359.407 2.635 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1NC(C)=O ZINC000524851343 516847299 /nfs/dbraw/zinc/84/72/99/516847299.db2.gz BGKKKVVDTUQSDC-UHFFFAOYSA-N -1 1 359.407 2.635 20 30 FFEDMM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000519316978 516957091 /nfs/dbraw/zinc/95/70/91/516957091.db2.gz KJROUINDEOEVKS-CYBMUJFWSA-N -1 1 352.419 2.761 20 30 FFEDMM Cc1cnc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000548633803 517101789 /nfs/dbraw/zinc/10/17/89/517101789.db2.gz IHUUFHDLOIUCDF-LBPRGKRZSA-N -1 1 351.284 2.989 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000533598824 517543627 /nfs/dbraw/zinc/54/36/27/517543627.db2.gz BFWZNZAURKJPND-ZDUSSCGKSA-N -1 1 365.437 2.636 20 30 FFEDMM C[C@@H](COc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000563468994 517920284 /nfs/dbraw/zinc/92/02/84/517920284.db2.gz OBICLALIVQBCJI-JTQLQIEISA-N -1 1 374.340 2.916 20 30 FFEDMM C[C@H](COc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000563468995 517921239 /nfs/dbraw/zinc/92/12/39/517921239.db2.gz OBICLALIVQBCJI-SNVBAGLBSA-N -1 1 374.340 2.916 20 30 FFEDMM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553839848 517929844 /nfs/dbraw/zinc/92/98/44/517929844.db2.gz XEFGRYFEIAJIPG-QAPCUYQASA-N -1 1 360.435 2.906 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cc1[O-] ZINC000560730349 517992071 /nfs/dbraw/zinc/99/20/71/517992071.db2.gz FSUXQNUKOVHJLY-UHFFFAOYSA-N -1 1 357.360 2.895 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)OC)cc2)c1 ZINC000522208159 518031990 /nfs/dbraw/zinc/03/19/90/518031990.db2.gz XVIDCLWCUBNNLA-UHFFFAOYSA-N -1 1 361.419 2.768 20 30 FFEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000581330112 518232318 /nfs/dbraw/zinc/23/23/18/518232318.db2.gz QKPQKGTZGWGETJ-UHFFFAOYSA-N -1 1 367.405 2.948 20 30 FFEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000581330112 518232331 /nfs/dbraw/zinc/23/23/31/518232331.db2.gz QKPQKGTZGWGETJ-UHFFFAOYSA-N -1 1 367.405 2.948 20 30 FFEDMM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc(C#N)o3)CCCC2)c1 ZINC000582128888 518602643 /nfs/dbraw/zinc/60/26/43/518602643.db2.gz OOTGQRTWQBPCGD-UHFFFAOYSA-N -1 1 360.435 2.950 20 30 FFEDMM COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589196039 518946873 /nfs/dbraw/zinc/94/68/73/518946873.db2.gz TZZKRHGQXAKROX-KRWDZBQOSA-N -1 1 352.390 2.558 20 30 FFEDMM COc1cc(Br)ccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589207983 518951813 /nfs/dbraw/zinc/95/18/13/518951813.db2.gz LEWXBCHGFSCZFY-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM C=CCc1ccccc1OC[C@H](O)CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000565600146 519037627 /nfs/dbraw/zinc/03/76/27/519037627.db2.gz KMAXPRFZEVVOJT-HXUWFJFHSA-N -1 1 367.445 2.911 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1Cl ZINC000603974494 520418630 /nfs/dbraw/zinc/41/86/30/520418630.db2.gz XWDITWAMVXNOAH-UHFFFAOYSA-N -1 1 350.787 2.503 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1 ZINC000610123691 520549228 /nfs/dbraw/zinc/54/92/28/520549228.db2.gz LPDRQZLMFZUZFP-UHFFFAOYSA-N -1 1 369.446 2.904 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2nc(C)cc(C)c2C#N)c(=O)[n-]1 ZINC000598852168 520878699 /nfs/dbraw/zinc/87/86/99/520878699.db2.gz GSSYOQQJIQBTMW-UHFFFAOYSA-N -1 1 357.439 2.667 20 30 FFEDMM Cc1ccc(C(=O)NC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000601726641 520921297 /nfs/dbraw/zinc/92/12/97/520921297.db2.gz CXKGKKPZEQUSAC-UHFFFAOYSA-N -1 1 363.417 2.607 20 30 FFEDMM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000614365869 520927640 /nfs/dbraw/zinc/92/76/40/520927640.db2.gz ZXXFIRXBEPAUSS-UHFFFAOYSA-N -1 1 373.434 2.976 20 30 FFEDMM COC(=O)[C@@]1([N-]S(=O)(=O)CC2(C#N)CCCC2)CCCC(C)(C)C1 ZINC000599410535 521204701 /nfs/dbraw/zinc/20/47/01/521204701.db2.gz AYBAWMBNDBWHNX-QGZVFWFLSA-N -1 1 356.488 2.502 20 30 FFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1cc(CCc2ccccc2)[nH][nH]1 ZINC000619376735 521540631 /nfs/dbraw/zinc/54/06/31/521540631.db2.gz FXHKTEACNDGCIL-LJQANCHMSA-N -1 1 369.428 2.809 20 30 FFEDMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461735 521579072 /nfs/dbraw/zinc/57/90/72/521579072.db2.gz XZGYIOAODKEJKX-UHFFFAOYSA-N -1 1 367.434 2.832 20 30 FFEDMM N#C[C@@H](COC(=O)c1sccc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000737674735 599027151 /nfs/dbraw/zinc/02/71/51/599027151.db2.gz LJMWJAPAJDNOFN-NSHDSACASA-N -1 1 357.370 2.607 20 30 FFEDMM C#CCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735374625 598413978 /nfs/dbraw/zinc/41/39/78/598413978.db2.gz KTXMXDVSRIGBDO-UHFFFAOYSA-N -1 1 352.325 2.978 20 30 FFEDMM C#CCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735374625 598413980 /nfs/dbraw/zinc/41/39/80/598413980.db2.gz KTXMXDVSRIGBDO-UHFFFAOYSA-N -1 1 352.325 2.978 20 30 FFEDMM CC(C)Oc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C#N ZINC000820169647 607395184 /nfs/dbraw/zinc/39/51/84/607395184.db2.gz MFCKLGZVCVPSNS-UHFFFAOYSA-N -1 1 354.395 2.839 20 30 FFEDMM CC(C)Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C#N ZINC000820169647 607395185 /nfs/dbraw/zinc/39/51/85/607395185.db2.gz MFCKLGZVCVPSNS-UHFFFAOYSA-N -1 1 354.395 2.839 20 30 FFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000833073881 601310779 /nfs/dbraw/zinc/31/07/79/601310779.db2.gz JKWLDZLNOAWYFW-LJQANCHMSA-N -1 1 363.417 2.532 20 30 FFEDMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000828493756 601960870 /nfs/dbraw/zinc/96/08/70/601960870.db2.gz JPHITBBYYBTPDH-YWZLYKJASA-N -1 1 365.433 2.501 20 30 FFEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(O[C@@H]2CCOC2)c1 ZINC000832934081 602149778 /nfs/dbraw/zinc/14/97/78/602149778.db2.gz OLWGBHGFLVCBSO-UYAOXDASSA-N -1 1 366.417 2.950 20 30 FFEDMM Cc1cc(C(C#N)C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])nc(C)n1 ZINC000829980535 604219367 /nfs/dbraw/zinc/21/93/67/604219367.db2.gz PCQAQBBOLQDZRP-JKSUJKDBSA-N -1 1 352.394 2.539 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000831066525 604222691 /nfs/dbraw/zinc/22/26/91/604222691.db2.gz XQLXQCXTJXRIBI-SNVBAGLBSA-N -1 1 361.741 2.662 20 30 FFEDMM COc1cc(C#N)ccc1OCCN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000829076970 604230768 /nfs/dbraw/zinc/23/07/68/604230768.db2.gz LXDOOGHUZRTWAN-UHFFFAOYSA-N -1 1 373.453 2.800 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833442456 604607362 /nfs/dbraw/zinc/60/73/62/604607362.db2.gz OWIWKXPRXMPNIY-ZDUSSCGKSA-N -1 1 359.426 2.603 20 30 FFEDMM COc1cc2c(cc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000832103685 604777931 /nfs/dbraw/zinc/77/79/31/604777931.db2.gz XRDMWJCYMKBCTQ-BLVKFPJESA-N -1 1 352.390 2.806 20 30 FFEDMM COc1cc2c(cc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1)O[C@H](C)C2 ZINC000832102787 604777974 /nfs/dbraw/zinc/77/79/74/604777974.db2.gz IKBJXTDOKHXSOY-CWTRNNRKSA-N -1 1 352.390 2.806 20 30 FFEDMM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000833940737 605948392 /nfs/dbraw/zinc/94/83/92/605948392.db2.gz QDSXVIIJEMMCKZ-HOCLYGCPSA-N -1 1 362.389 2.628 20 30 FFEDMM C#CCOc1ccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819709975 606178190 /nfs/dbraw/zinc/17/81/90/606178190.db2.gz VFKFEQNTIDVDSN-LLVKDONJSA-N -1 1 354.391 2.858 20 30 FFEDMM C#CCOc1ccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819709975 606178191 /nfs/dbraw/zinc/17/81/91/606178191.db2.gz VFKFEQNTIDVDSN-LLVKDONJSA-N -1 1 354.391 2.858 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@H](OCc3ccccc3)C2(C)C)o1 ZINC000826323138 609160076 /nfs/dbraw/zinc/16/00/76/609160076.db2.gz RPBVNSFHXHEOIX-AWEZNQCLSA-N -1 1 367.413 2.946 20 30 FFEDMM CC(C)(CCC#N)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824152888 609319597 /nfs/dbraw/zinc/31/95/97/609319597.db2.gz RVYAXTWCHPJTRR-UHFFFAOYSA-N -1 1 354.393 2.933 20 30 FFEDMM C[C@H](C#N)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824033823 609411010 /nfs/dbraw/zinc/41/10/10/609411010.db2.gz BXGDBMWXOWHINJ-LLVKDONJSA-N -1 1 367.438 2.554 20 30 FFEDMM CC#CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000744573720 735364837 /nfs/dbraw/zinc/36/48/37/735364837.db2.gz NNXUGSCBWKYYAR-UHFFFAOYSA-N -1 1 361.394 2.736 20 30 FFEDMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)NO ZINC000003873247 727777610 /nfs/dbraw/zinc/77/76/10/727777610.db2.gz OBPFRKHHOFVYEG-UHFFFAOYSA-N -1 1 356.403 2.689 20 30 FFEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)CC[C@H](C)C4)nn21 ZINC000069609953 728200302 /nfs/dbraw/zinc/20/03/02/728200302.db2.gz GVSVNFJNVMVDCW-VIFPVBQESA-N -1 1 352.423 2.743 20 30 FFEDMM C[C@H]1CCCN(c2nc([O-])c(CC(=O)Nc3ccc(C#N)cc3)s2)C1 ZINC000077397498 728274404 /nfs/dbraw/zinc/27/44/04/728274404.db2.gz QDXJLBIILGCJHR-WFASDCNBSA-N -1 1 356.451 2.617 20 30 FFEDMM N#C[C@@H](C(=O)[C@@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000121890701 728641370 /nfs/dbraw/zinc/64/13/70/728641370.db2.gz SECKXTDFSYHDPL-RYUDHWBXSA-N -1 1 357.435 2.609 20 30 FFEDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000130365924 728717246 /nfs/dbraw/zinc/71/72/46/728717246.db2.gz XWHXFESCIORJCW-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000185292976 729346088 /nfs/dbraw/zinc/34/60/88/729346088.db2.gz VJIVMTHMLNPRPR-CYBMUJFWSA-N -1 1 360.410 2.686 20 30 FFEDMM C=CCCN(OCc1ccccc1)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000189898000 729403573 /nfs/dbraw/zinc/40/35/73/729403573.db2.gz KATZNUVVAXYGGF-UHFFFAOYSA-N -1 1 359.451 2.950 20 30 FFEDMM C#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000191082931 729414270 /nfs/dbraw/zinc/41/42/70/729414270.db2.gz MOMXCVCVFMBQFR-UHFFFAOYSA-N -1 1 356.447 2.809 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)o1 ZINC000255125183 729632552 /nfs/dbraw/zinc/63/25/52/729632552.db2.gz WVGDVMMOZFJZSV-WLHRWRHDSA-N -1 1 356.765 2.754 20 30 FFEDMM CN(C)C[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000857619863 730402422 /nfs/dbraw/zinc/40/24/22/730402422.db2.gz HPCYWGMJJQXUCQ-CYBMUJFWSA-N -1 1 360.202 2.501 20 30 FFEDMM C=C(C)[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)c1ccc(F)c(F)c1 ZINC000867122862 731146442 /nfs/dbraw/zinc/14/64/42/731146442.db2.gz RXUOFRWUPNFMKX-ASSNKEHSSA-N -1 1 352.428 2.534 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c(C#N)c1 ZINC000872331124 731751921 /nfs/dbraw/zinc/75/19/21/731751921.db2.gz VJSLFAHFLCSNHE-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM C#CCC1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCOCC1 ZINC000885840625 733716717 /nfs/dbraw/zinc/71/67/17/733716717.db2.gz JXPRFIWHDBZLNK-UHFFFAOYSA-N -1 1 366.241 2.983 20 30 FFEDMM CCCCCCC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000705860952 734361055 /nfs/dbraw/zinc/36/10/55/734361055.db2.gz KATOZFUGWMAGCD-UHFFFAOYSA-N -1 1 352.298 2.740 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(Cl)cc2F)cc1 ZINC000783513517 738810646 /nfs/dbraw/zinc/81/06/46/738810646.db2.gz SZLJVQKBUUFHQE-UHFFFAOYSA-N -1 1 371.777 2.841 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Cl)c1OC ZINC000730434743 734636650 /nfs/dbraw/zinc/63/66/50/734636650.db2.gz RUYKDYHWBYCGOX-YVZNUBBCSA-N -1 1 350.754 2.585 20 30 FFEDMM C#CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000733287293 734804261 /nfs/dbraw/zinc/80/42/61/734804261.db2.gz AIBHWDXPFUSECR-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM C#CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000733978458 734865489 /nfs/dbraw/zinc/86/54/89/734865489.db2.gz ATPRQPGVZQQLRS-UHFFFAOYSA-N -1 1 356.447 2.937 20 30 FFEDMM Cc1ccc2c(c1C)C(=NN=C1[N-]S(=O)(=O)c3ccccc31)CCO2 ZINC000737428820 735009181 /nfs/dbraw/zinc/00/91/81/735009181.db2.gz GNPCRGUVOZVLEQ-UHFFFAOYSA-N -1 1 355.419 2.529 20 30 FFEDMM Cc1cccc([C@@H]([N-]S(=O)(=O)CC2(C#N)CC2)C(=O)OC(C)(C)C)c1 ZINC000907659881 736653450 /nfs/dbraw/zinc/65/34/50/736653450.db2.gz GVEDISLSAZLBKC-OAHLLOKOSA-N -1 1 364.467 2.601 20 30 FFEDMM C=CCCS(=O)(=O)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000765172247 737090892 /nfs/dbraw/zinc/09/08/92/737090892.db2.gz XAJQUVAAPAANQP-UHFFFAOYSA-N -1 1 367.448 2.772 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=c2sc3ccccc3n2C)cc1C#N ZINC000913686898 737431915 /nfs/dbraw/zinc/43/19/15/737431915.db2.gz BLTZGYJDCWGEDK-UHFFFAOYSA-N -1 1 356.432 2.675 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000769645050 737549381 /nfs/dbraw/zinc/54/93/81/737549381.db2.gz RJYXPSJHELLIIV-ZDUSSCGKSA-N -1 1 360.410 2.720 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccccc2Br)c2ccccc21 ZINC000914599711 737585800 /nfs/dbraw/zinc/58/58/00/737585800.db2.gz HYEKRBUXPQHNJE-UHFFFAOYSA-N -1 1 364.224 2.522 20 30 FFEDMM Oc1c(Br)cccc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000915945936 737666523 /nfs/dbraw/zinc/66/65/23/737666523.db2.gz XGJCOIBEIABEBS-UHFFFAOYSA-N -1 1 367.150 2.936 20 30 FFEDMM [O-]c1c(Br)cccc1C=NNc1ccc(-n2cccn2)nn1 ZINC000915971646 737668261 /nfs/dbraw/zinc/66/82/61/737668261.db2.gz GOBVPYNXQWFQOB-UHFFFAOYSA-N -1 1 359.187 2.576 20 30 FFEDMM Cc1nn(C)c(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)c1Br ZINC000790601973 739473591 /nfs/dbraw/zinc/47/35/91/739473591.db2.gz YSMBFPYJSJEGLE-GQCTYLIASA-N -1 1 365.183 2.791 20 30 FFEDMM CCc1cccc(F)c1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000794519930 739899616 /nfs/dbraw/zinc/89/96/16/739899616.db2.gz PURUHAKSFNNYBQ-UHFFFAOYSA-N -1 1 351.359 2.609 20 30 FFEDMM CCCC[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000805032627 740928662 /nfs/dbraw/zinc/92/86/62/740928662.db2.gz RGUYUWQOROXNJP-GFCCVEGCSA-N -1 1 371.459 2.513 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)c1 ZINC000809601594 741320364 /nfs/dbraw/zinc/32/03/64/741320364.db2.gz HBDCNDWCEVTPJN-UHFFFAOYSA-N -1 1 350.300 2.520 20 30 FFEDMM C#CCN(CC#CC)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000813463140 741720193 /nfs/dbraw/zinc/72/01/93/741720193.db2.gz DDVIHODBEAETRB-UHFFFAOYSA-N -1 1 357.207 2.802 20 30 FFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000823645673 742954574 /nfs/dbraw/zinc/95/45/74/742954574.db2.gz QBUNWWAXWRGVSM-GFCCVEGCSA-N -1 1 356.875 2.713 20 30 FFEDMM Cn1nc(C(F)(F)F)cc1C[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000831021257 745466979 /nfs/dbraw/zinc/46/69/79/745466979.db2.gz NCIYCMNPBBHALP-UHFFFAOYSA-N -1 1 358.270 2.719 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)OCC ZINC000832550905 745717841 /nfs/dbraw/zinc/71/78/41/745717841.db2.gz WCJIMKJTZZWECF-SECBINFHSA-N -1 1 367.254 2.565 20 30 FFEDMM O=c1nc(N=NC2CCC[C@@H]2Cc2ccc(Cl)cc2)nc2[nH][n-]cc1-2 ZINC000834956718 745928047 /nfs/dbraw/zinc/92/80/47/745928047.db2.gz PACGTXWEINGYBM-LLVKDONJSA-N -1 1 356.817 2.896 20 30 FFEDMM C=CCO[N-]C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000837047852 746355982 /nfs/dbraw/zinc/35/59/82/746355982.db2.gz JOJIZTVCWOPFPH-UKRRQHHQSA-N -1 1 356.344 2.849 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000839046751 746761446 /nfs/dbraw/zinc/76/14/46/746761446.db2.gz AGWHVNFKJHMSDK-VXGBXAGGSA-N -1 1 354.428 2.596 20 30 FFEDMM CSc1nc(C)c(CCC(=O)OCCc2ccc(C#N)cc2)c(=O)[n-]1 ZINC000851355987 749572526 /nfs/dbraw/zinc/57/25/26/749572526.db2.gz GQXMXYAKNBQCLI-UHFFFAOYSA-N -1 1 357.435 2.803 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H](O)c1ccc(Cl)cc1 ZINC000851862781 749708365 /nfs/dbraw/zinc/70/83/65/749708365.db2.gz GHEKOCDXOAXKOC-HOTGVXAUSA-N -1 1 368.842 2.841 20 30 FFEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cnc2n1CCC2 ZINC000853280147 750042157 /nfs/dbraw/zinc/04/21/57/750042157.db2.gz GJHSONVJNJTSJZ-UHFFFAOYSA-N -1 1 356.480 2.884 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC1(C#N)CCCCC1 ZINC000855054452 750418980 /nfs/dbraw/zinc/41/89/80/750418980.db2.gz LNNOCYDZSBJZNQ-CHWSQXEVSA-N -1 1 359.392 2.909 20 30 FFEDMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000028781843 845049614 /nfs/dbraw/zinc/04/96/14/845049614.db2.gz UYCKZLWPQMGWRD-KPKJPENVSA-N -1 1 356.403 2.935 20 30 FFEDMM C=CC(C)(C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001573308215 947187091 /nfs/dbraw/zinc/18/70/91/947187091.db2.gz ZMSVFVIZJDTKOB-UHFFFAOYSA-N -1 1 370.392 2.525 20 30 FFEDMM Cc1nc(Cn2cnc(-c3nn[n-]n3)c2C#N)oc1-c1ccc(Cl)cc1 ZINC000826326797 947952410 /nfs/dbraw/zinc/95/24/10/947952410.db2.gz FKKWSQULEIDOBI-UHFFFAOYSA-N -1 1 366.772 2.600 20 30 FFEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000826382989 948179748 /nfs/dbraw/zinc/17/97/48/948179748.db2.gz FAMMYEXALYPXIQ-UHFFFAOYSA-N -1 1 371.360 2.610 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826383531 948183630 /nfs/dbraw/zinc/18/36/30/948183630.db2.gz FPHIRTJENREPSH-UHFFFAOYSA-N -1 1 366.772 2.783 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccc(-c3nn[n-]n3)o2)n1 ZINC000826383531 948183639 /nfs/dbraw/zinc/18/36/39/948183639.db2.gz FPHIRTJENREPSH-UHFFFAOYSA-N -1 1 366.772 2.783 20 30 FFEDMM C[N@H+]1CCc2c(C#N)c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)sc2C1 ZINC001176237692 1013656345 /nfs/dbraw/zinc/65/63/45/1013656345.db2.gz ZNOQSRAJHZJUQU-UHFFFAOYSA-N -1 1 357.391 2.748 20 30 FFEDMM C=CCN1CC[C@]2(CCCN2C(=O)c2cc3ccccc3cc2[O-])C1=O ZINC001270865254 967354408 /nfs/dbraw/zinc/35/44/08/967354408.db2.gz GHNBGZJFXLQMRL-OAQYLSRUSA-N -1 1 350.418 2.939 20 30 FFEDMM C[C@@H](C#N)CNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875475369 1014031930 /nfs/dbraw/zinc/03/19/30/1014031930.db2.gz AYGNPHCYRHJREG-RYUDHWBXSA-N -1 1 368.359 2.528 20 30 FFEDMM CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001087464228 978261983 /nfs/dbraw/zinc/26/19/83/978261983.db2.gz ZDGFOKZLMCPCRV-QZTJIDSGSA-N -1 1 367.424 2.538 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908743038 981515595 /nfs/dbraw/zinc/51/55/95/981515595.db2.gz KVBOCKPUBWNARW-HOTGVXAUSA-N -1 1 363.458 2.915 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908743039 981515931 /nfs/dbraw/zinc/51/59/31/981515931.db2.gz KVBOCKPUBWNARW-HZPDHXFCSA-N -1 1 363.458 2.915 20 30 FFEDMM CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595797489 982606865 /nfs/dbraw/zinc/60/68/65/982606865.db2.gz WOZNKNGEOHPLKL-ZDUSSCGKSA-N -1 1 355.350 2.677 20 30 FFEDMM CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595797489 982606867 /nfs/dbraw/zinc/60/68/67/982606867.db2.gz WOZNKNGEOHPLKL-ZDUSSCGKSA-N -1 1 355.350 2.677 20 30 FFEDMM C[C@@H]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000912732196 984104374 /nfs/dbraw/zinc/10/43/74/984104374.db2.gz USZBGYPOKPUABK-SPDXIVMKSA-N -1 1 371.403 2.622 20 30 FFEDMM C[C@@H]1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000912732197 984104468 /nfs/dbraw/zinc/10/44/68/984104468.db2.gz USZBGYPOKPUABK-YRWQEOIDSA-N -1 1 371.403 2.622 20 30 FFEDMM COc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OCc1ccncc1 ZINC000912773283 984113743 /nfs/dbraw/zinc/11/37/43/984113743.db2.gz FVDSWHUIACSLMF-UHFFFAOYSA-N -1 1 365.393 2.919 20 30 FFEDMM C#Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001212155838 984433402 /nfs/dbraw/zinc/43/34/02/984433402.db2.gz LPKDOSMYQQPVMH-UHFFFAOYSA-N -1 1 350.783 2.708 20 30 FFEDMM N#Cc1ccc(F)c(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000888368231 985537165 /nfs/dbraw/zinc/53/71/65/985537165.db2.gz ZYTOHHYUXDABIY-UHFFFAOYSA-N -1 1 372.322 2.620 20 30 FFEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3cnccn3)n2)c1 ZINC000172667809 985635389 /nfs/dbraw/zinc/63/53/89/985635389.db2.gz BRTLKXYIHLWMMU-ZDUSSCGKSA-N -1 1 363.402 2.870 20 30 FFEDMM C#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000172933300 985719634 /nfs/dbraw/zinc/71/96/34/985719634.db2.gz NIGGHDWAFIITIH-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000914600805 987813567 /nfs/dbraw/zinc/81/35/67/987813567.db2.gz XQNLMAGWEYXTNW-UHFFFAOYSA-N -1 1 368.462 2.750 20 30 FFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000762385264 988340577 /nfs/dbraw/zinc/34/05/77/988340577.db2.gz SPQHREMHZZYZHK-MRXNPFEDSA-N -1 1 366.421 2.699 20 30 FFEDMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000194142683 989167288 /nfs/dbraw/zinc/16/72/88/989167288.db2.gz UQDHRWCPGSGIQD-UHFFFAOYSA-N -1 1 371.462 2.990 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N=C2C[C@@H](C)ON2)cc1 ZINC000763257824 989322744 /nfs/dbraw/zinc/32/27/44/989322744.db2.gz FETIICOJOKEDFI-CYBMUJFWSA-N -1 1 373.434 2.648 20 30 FFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000179699777 991315241 /nfs/dbraw/zinc/31/52/41/991315241.db2.gz LWNUOFQHRBHITM-HNNXBMFYSA-N -1 1 365.780 2.882 20 30 FFEDMM CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000804232447 991345077 /nfs/dbraw/zinc/34/50/77/991345077.db2.gz OIBIEULOZADREZ-INIZCTEOSA-N -1 1 359.426 2.785 20 30 FFEDMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000809630069 994560329 /nfs/dbraw/zinc/56/03/29/994560329.db2.gz KPCSSIJSTYWSQK-HNNXBMFYSA-N -1 1 359.426 2.783 20 30 FFEDMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809753082 994604563 /nfs/dbraw/zinc/60/45/63/994604563.db2.gz NIBNQJZKPYWMHP-TZMCWYRMSA-N -1 1 359.426 2.639 20 30 FFEDMM Cn1cnc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000810530175 994811360 /nfs/dbraw/zinc/81/13/60/994811360.db2.gz XNSKCRMMVJCCQO-CQSZACIVSA-N -1 1 361.361 2.569 20 30 FFEDMM O=c1nc(NN=C2C[C@@H](c3ccccc3)Oc3ccccc32)nc2[nH][n-]cc1-2 ZINC000731157023 997719378 /nfs/dbraw/zinc/71/93/78/997719378.db2.gz BBOGLGAJKRXLSO-KRWDZBQOSA-N -1 1 372.388 2.772 20 30 FFEDMM C/C=C(\C)C(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001143936956 997849356 /nfs/dbraw/zinc/84/93/56/997849356.db2.gz RJEBBPWYIBISFQ-ZXROUDLCSA-N -1 1 353.741 2.707 20 30 FFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000731546702 998017804 /nfs/dbraw/zinc/01/78/04/998017804.db2.gz QIALFRLHDNLFHD-OAHLLOKOSA-N -1 1 357.297 2.704 20 30 FFEDMM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001144857127 1000356896 /nfs/dbraw/zinc/35/68/96/1000356896.db2.gz DZURLKYQDMDSHM-UHFFFAOYSA-N -1 1 366.381 2.674 20 30 FFEDMM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785592112 1001455258 /nfs/dbraw/zinc/45/52/58/1001455258.db2.gz NPLJYHBJKAFZTC-OAHLLOKOSA-N -1 1 361.442 2.933 20 30 FFEDMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000785613105 1001462556 /nfs/dbraw/zinc/46/25/56/1001462556.db2.gz LZWRZZNNKRDCSW-SWLSCSKDSA-N -1 1 359.426 2.782 20 30 FFEDMM C/C(C=NN=C1[N-]S(=O)(=O)c2ccccc21)=C/c1cccc([N+](=O)[O-])c1 ZINC000787152751 1001669360 /nfs/dbraw/zinc/66/93/60/1001669360.db2.gz ZVJYQDGEQNOEOT-SAKDXEPDSA-N -1 1 370.390 2.723 20 30 FFEDMM COc1ccc2c(c1)C(C)(C)CC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000788711743 1001851014 /nfs/dbraw/zinc/85/10/14/1001851014.db2.gz ILDSVNRWECDPGJ-UHFFFAOYSA-N -1 1 369.446 2.819 20 30 FFEDMM N#Cc1cccc(-c2nc([N-]C(=O)c3c(F)cc(C#N)cc3F)n[nH]2)c1 ZINC001184469849 1002627092 /nfs/dbraw/zinc/62/70/92/1002627092.db2.gz BZWLUAQNXRDIGO-UHFFFAOYSA-N -1 1 350.288 2.746 20 30 FFEDMM C[Si](C)(C)C#Cc1cc(Cl)cnc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170218249 1003052492 /nfs/dbraw/zinc/05/24/92/1003052492.db2.gz SGKCVAYVQHEIAC-UHFFFAOYSA-N -1 1 374.864 2.737 20 30 FFEDMM CCOC(=O)c1nc([C@H](C)Nc2c(Br)cccc2C#N)n[n-]1 ZINC001186989814 1003503103 /nfs/dbraw/zinc/50/31/03/1003503103.db2.gz NAHUSZBRSXIUIO-QMMMGPOBSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1nnc([C@H](C)Nc2c(Br)cccc2C#N)[n-]1 ZINC001186989814 1003503110 /nfs/dbraw/zinc/50/31/10/1003503110.db2.gz NAHUSZBRSXIUIO-QMMMGPOBSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@H](C)Nc2c(Br)cccc2C#N)n1 ZINC001186989814 1003503118 /nfs/dbraw/zinc/50/31/18/1003503118.db2.gz NAHUSZBRSXIUIO-QMMMGPOBSA-N -1 1 364.203 2.789 20 30 FFEDMM CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc([O-])cc(C#N)c2)C1=O ZINC000793985516 1003543327 /nfs/dbraw/zinc/54/33/27/1003543327.db2.gz CNKHYZOIFSIZPI-IBGZPJMESA-N -1 1 372.425 2.580 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC(n4cnnc4)CC3)c2)c1 ZINC001196316377 1003753286 /nfs/dbraw/zinc/75/32/86/1003753286.db2.gz UWXXCWHYESTMOJ-UHFFFAOYSA-N -1 1 373.416 3.000 20 30 FFEDMM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650766 1003902058 /nfs/dbraw/zinc/90/20/58/1003902058.db2.gz ZTCKKOPOEBUIDE-UHFFFAOYSA-N -1 1 373.221 2.773 20 30 FFEDMM N#Cc1cnc([N-]C(=O)c2cnc(Br)o2)c(Br)c1 ZINC001191713843 1003923424 /nfs/dbraw/zinc/92/34/24/1003923424.db2.gz SWXGHJPQLGVKOZ-UHFFFAOYSA-N -1 1 371.976 2.719 20 30 FFEDMM Cc1cnc(Cl)nc1C(=O)NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001193250774 1004418942 /nfs/dbraw/zinc/41/89/42/1004418942.db2.gz GQBRKJZGLBDTDM-UHFFFAOYSA-N -1 1 374.706 2.903 20 30 FFEDMM Cc1cnc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)nc1 ZINC001194064517 1004644023 /nfs/dbraw/zinc/64/40/23/1004644023.db2.gz WDLCXKBSYDTTMN-GIJQJNRQSA-N -1 1 366.406 2.572 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)OCC ZINC001194186936 1004675679 /nfs/dbraw/zinc/67/56/79/1004675679.db2.gz NQGYBQDGJZSNBZ-SNVBAGLBSA-N -1 1 367.254 2.565 20 30 FFEDMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1F ZINC001198702175 1004701583 /nfs/dbraw/zinc/70/15/83/1004701583.db2.gz LGHKJHQJSQCKLW-UHFFFAOYSA-N -1 1 359.741 2.694 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccc1C#N ZINC001198869096 1004767372 /nfs/dbraw/zinc/76/73/72/1004767372.db2.gz PFHVZZWTAJWBNI-UHFFFAOYSA-N -1 1 356.359 2.892 20 30 FFEDMM COc1ncccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Br ZINC001194667577 1004789241 /nfs/dbraw/zinc/78/92/41/1004789241.db2.gz CVURHSKUKULDNY-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2scc(C)c2C#N)c(C)cc1O ZINC001195339619 1004942410 /nfs/dbraw/zinc/94/24/10/1004942410.db2.gz NGUMCDBZSUOODV-UHFFFAOYSA-N -1 1 366.420 2.530 20 30 FFEDMM C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001490410129 1005715784 /nfs/dbraw/zinc/71/57/84/1005715784.db2.gz ARTOBKYZHNEBIW-HUUCEWRRSA-N -1 1 359.470 2.604 20 30 FFEDMM CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000776659679 1006379641 /nfs/dbraw/zinc/37/96/41/1006379641.db2.gz CNHBAPPXHLJDSJ-UHFFFAOYSA-N -1 1 359.426 2.830 20 30 FFEDMM CC(=NN1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814696371 1006405921 /nfs/dbraw/zinc/40/59/21/1006405921.db2.gz MYYHUMLRQBCOBN-UHFFFAOYSA-N -1 1 373.478 2.852 20 30 FFEDMM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1cccc(CO)c1 ZINC000814846646 1006448118 /nfs/dbraw/zinc/44/81/18/1006448118.db2.gz JLKCSDYPLKMZJI-UHFFFAOYSA-N -1 1 354.414 2.615 20 30 FFEDMM CCc1cc2c(COC(=O)c3ncc(C#N)cc3C)cc(=O)oc2cc1[O-] ZINC000815338647 1006585552 /nfs/dbraw/zinc/58/55/52/1006585552.db2.gz IXJHXLPKFAYPJW-UHFFFAOYSA-N -1 1 364.357 2.993 20 30 FFEDMM CCc1ccc(C#CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000816561623 1007119947 /nfs/dbraw/zinc/11/99/47/1007119947.db2.gz FAJAOVTUVVKNLM-UHFFFAOYSA-N -1 1 366.383 2.518 20 30 FFEDMM N#Cc1nc2ccc(NC(=O)c3cnc(-c4ccccn4)[n-]c3=O)cc2s1 ZINC001190632423 1007729724 /nfs/dbraw/zinc/72/97/24/1007729724.db2.gz KWPSHEWREKTCNW-UHFFFAOYSA-N -1 1 374.385 2.978 20 30 FFEDMM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190647960 1007733996 /nfs/dbraw/zinc/73/39/96/1007733996.db2.gz OKZZQONOMBUWOL-UHFFFAOYSA-N -1 1 366.345 2.814 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)O[C@H](C)COc2cccc(C#N)c2)c1 ZINC000820067355 1008276428 /nfs/dbraw/zinc/27/64/28/1008276428.db2.gz BYGCEYOGBAXUNB-PTFIGZPYSA-N -1 1 373.430 2.685 20 30 FFEDMM C=CCOCCCNC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000823693351 1009174897 /nfs/dbraw/zinc/17/48/97/1009174897.db2.gz GNZZKRXFWRWPBQ-UHFFFAOYSA-N -1 1 373.375 2.888 20 30 FFEDMM N#Cc1ccc(C2(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)CCCC2)cc1 ZINC000861510296 1009446882 /nfs/dbraw/zinc/44/68/82/1009446882.db2.gz UGVYRLWFNXVCMU-OAHLLOKOSA-N -1 1 366.421 2.865 20 30 FFEDMM COCC(C)(C)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001181939107 1010312947 /nfs/dbraw/zinc/31/29/47/1010312947.db2.gz FISHINXDASXAJL-GIJQJNRQSA-N -1 1 360.439 2.833 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(CN2CCOC2=O)cc1 ZINC000794582755 1010379215 /nfs/dbraw/zinc/37/92/15/1010379215.db2.gz RSPXZSNVQJVRKT-UHFFFAOYSA-N -1 1 371.418 2.506 20 30 FFEDMM N#Cc1cncc(N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)n1 ZINC000866143910 1010937761 /nfs/dbraw/zinc/93/77/61/1010937761.db2.gz QXVXTLJBWLQNOI-LLVKDONJSA-N -1 1 361.327 2.652 20 30 FFEDMM COC(=O)c1c(F)cccc1N=NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794939143 1011021565 /nfs/dbraw/zinc/02/15/65/1011021565.db2.gz WIHXRTOFCBZJCU-LLVKDONJSA-N -1 1 360.341 2.910 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000644966636 1011286322 /nfs/dbraw/zinc/28/63/22/1011286322.db2.gz CCCCRVSAARMHIP-WMZOPIPTSA-N -1 1 358.438 2.588 20 30 FFEDMM N#Cc1ccc([O-])c(NC(=O)CCCC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000748411532 1017202982 /nfs/dbraw/zinc/20/29/82/1017202982.db2.gz RAMNJRIKTVZIHV-UHFFFAOYSA-N -1 1 364.361 2.589 20 30 FFEDMM N#Cc1ccc(OC2CCC(NC(=O)c3ccc(F)c([O-])c3)CC2)nc1 ZINC001137628520 1032724554 /nfs/dbraw/zinc/72/45/54/1032724554.db2.gz DYWRVLANOSUFRU-UHFFFAOYSA-N -1 1 355.369 2.918 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC000928109004 1018804205 /nfs/dbraw/zinc/80/42/05/1018804205.db2.gz REJUIJACESBOQA-UHFFFAOYSA-N -1 1 364.401 2.848 20 30 FFEDMM N#Cc1c(F)cccc1N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001047272385 1019080402 /nfs/dbraw/zinc/08/04/02/1019080402.db2.gz GQAMIXQOLXJMRI-QWHCGFSZSA-N -1 1 354.385 2.809 20 30 FFEDMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1cccc(F)c1C#N ZINC001048643176 1020389846 /nfs/dbraw/zinc/38/98/46/1020389846.db2.gz BZSNYIMAOSYJKA-LSDHHAIUSA-N -1 1 354.385 2.585 20 30 FFEDMM CCCN1C(=O)C(=NN=Cc2cc(C(=O)OC)ccc2[O-])c2ccccc21 ZINC000726736810 1020514254 /nfs/dbraw/zinc/51/42/54/1020514254.db2.gz UXBLORIKSCVZMV-UHFFFAOYSA-N -1 1 365.389 2.759 20 30 FFEDMM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000119862159 1022613827 /nfs/dbraw/zinc/61/38/27/1022613827.db2.gz VZGOXDDBAFHKJN-YXBWYFRISA-N -1 1 350.374 2.717 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001122400614 1023245560 /nfs/dbraw/zinc/24/55/60/1023245560.db2.gz SOSAYQWQZZCZGJ-CQSZACIVSA-N -1 1 354.393 2.515 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001122400614 1023245568 /nfs/dbraw/zinc/24/55/68/1023245568.db2.gz SOSAYQWQZZCZGJ-CQSZACIVSA-N -1 1 354.393 2.515 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001122491786 1023303029 /nfs/dbraw/zinc/30/30/29/1023303029.db2.gz WOVYPXYNMOZZET-CABCVRRESA-N -1 1 372.473 2.593 20 30 FFEDMM O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(O)c(O[C@H]2C[C@H](O)C2)c1 ZINC001218367441 1033125484 /nfs/dbraw/zinc/12/54/84/1033125484.db2.gz TVZDIDLCJGYHPC-ZQXPNRBNSA-N -1 1 354.358 2.659 20 30 FFEDMM O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(O)c(OC[C@H]2C[C@@H](O)C2)c1 ZINC001218436599 1033155156 /nfs/dbraw/zinc/15/51/56/1033155156.db2.gz QOIXGQBGCDZPMD-NEDSAHDXSA-N -1 1 368.385 2.906 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000837123031 1025593292 /nfs/dbraw/zinc/59/32/92/1025593292.db2.gz KXWUNNSFZWIGGP-WFASDCNBSA-N -1 1 359.426 2.687 20 30 FFEDMM C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000837237682 1025675353 /nfs/dbraw/zinc/67/53/53/1025675353.db2.gz QGKZAHYVNCZNPZ-XJKSGUPXSA-N -1 1 373.453 2.887 20 30 FFEDMM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2nc(OCC)[nH]c2c1 ZINC000838786330 1026504453 /nfs/dbraw/zinc/50/44/53/1026504453.db2.gz DQOZLOUEZMLRFD-AWEZNQCLSA-N -1 1 356.426 2.981 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@]12CCN(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC000839948737 1026876766 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CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc([O-])cc(C#N)c1 ZINC000830572593 1033688211 /nfs/dbraw/zinc/68/82/11/1033688211.db2.gz ZVOHFYZEAUNQPJ-DLBZAZTESA-N -1 1 371.437 2.878 20 30 FFEDMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000830800848 1033792121 /nfs/dbraw/zinc/79/21/21/1033792121.db2.gz AXRPAXPVVJNDCG-RHSMWYFYSA-N -1 1 367.371 2.743 20 30 FFEDMM CCOC(=O)C(F)(F)[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226257431 1034596258 /nfs/dbraw/zinc/59/62/58/1034596258.db2.gz OETVHBKGRDECSO-NPNVKNKFSA-N -1 1 351.309 2.603 20 30 FFEDMM CC[C@@H](C#CC(=O)OC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227577405 1035613893 /nfs/dbraw/zinc/61/38/93/1035613893.db2.gz JZEOSLMWNZDLNB-LBPRGKRZSA-N -1 1 364.353 2.501 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc([O-])c(F)c(F)c2)[C@@H](C#N)C1 ZINC001232971226 1036197463 /nfs/dbraw/zinc/19/74/63/1036197463.db2.gz YOJWIWAQEBZIPN-LBPRGKRZSA-N -1 1 353.369 2.615 20 30 FFEDMM C=CCONC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] 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NRFCVPYAMJOWSQ-QHHAFSJGSA-N -1 1 372.373 2.754 20 30 FFEDMM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229754804 1036873202 /nfs/dbraw/zinc/87/32/02/1036873202.db2.gz RKYRREMQUCTWAY-AWEZNQCLSA-N -1 1 351.431 2.800 20 30 FFEDMM C=C1O[C@H](C)C(=O)C1Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234745230 1037162333 /nfs/dbraw/zinc/16/23/33/1037162333.db2.gz SOVONMUXLKQVNL-MRVPVSSYSA-N -1 1 354.314 2.956 20 30 FFEDMM C=C1O[C@H](C)C(=O)C1Oc1c(O)ccc2c1oc1cc([O-])cc(O)c1c2=O ZINC001234749804 1037166209 /nfs/dbraw/zinc/16/62/09/1037166209.db2.gz DFMATPFJFHEWMD-SSDOTTSWSA-N -1 1 370.313 2.661 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3c(C)cccc3C#N)CCCCC2)no1 ZINC001208295317 1038196214 /nfs/dbraw/zinc/19/62/14/1038196214.db2.gz QCELORPSQBLCML-UHFFFAOYSA-N -1 1 360.439 2.696 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2nc(C#N)c(C#N)nc2Cl)cc1Cl ZINC001259131090 1039736741 /nfs/dbraw/zinc/73/67/41/1039736741.db2.gz KOWKUUJZJGPTIO-UHFFFAOYSA-N -1 1 368.205 2.636 20 30 FFEDMM Cn1cc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc2)cn1 ZINC001259411912 1039984225 /nfs/dbraw/zinc/98/42/25/1039984225.db2.gz AQRJLLCXNJJTBO-UHFFFAOYSA-N -1 1 356.382 2.899 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C2CC2)C3)ccc1F ZINC001259418989 1039988313 /nfs/dbraw/zinc/98/83/13/1039988313.db2.gz BHAJZIKXTOCDFS-UHFFFAOYSA-N -1 1 371.393 2.616 20 30 FFEDMM COC(=O)Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)ccc1C ZINC001259419861 1039990067 /nfs/dbraw/zinc/99/00/67/1039990067.db2.gz XBWIMNMPZKYUOE-UHFFFAOYSA-N -1 1 362.382 2.522 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1C#N ZINC001259862156 1040254514 /nfs/dbraw/zinc/25/45/14/1040254514.db2.gz XZHNVVISEWKZGG-UHFFFAOYSA-N -1 1 356.403 2.634 20 30 FFEDMM CCN(CCC#N)Cc1ccc(OC)c(I)c1[O-] ZINC001248489482 1040298948 /nfs/dbraw/zinc/29/89/48/1040298948.db2.gz JLOMOBAEALCHMH-UHFFFAOYSA-N -1 1 360.195 2.741 20 30 FFEDMM N#CC1(c2ccc(F)cc2)CCC(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)CC1 ZINC001254348587 1040681177 /nfs/dbraw/zinc/68/11/77/1040681177.db2.gz SWNQODFVGWHUPI-UHFFFAOYSA-N -1 1 368.372 2.671 20 30 FFEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)c1 ZINC001260811632 1040816582 /nfs/dbraw/zinc/81/65/82/1040816582.db2.gz ASDUFERQQFHJNB-UHFFFAOYSA-N -1 1 372.446 2.568 20 30 FFEDMM COC(=O)[N-]C(=S)N(c1ccc(OC)c(C#N)c1)c1ccccc1N ZINC001215006259 1041641981 /nfs/dbraw/zinc/64/19/81/1041641981.db2.gz FCZIYVSAAWGZKW-UHFFFAOYSA-N -1 1 356.407 2.928 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@H](COC)C1 ZINC001263335442 1042247416 /nfs/dbraw/zinc/24/74/16/1042247416.db2.gz DBUGVYFGSOEHOR-GFCCVEGCSA-N -1 1 363.849 2.748 20 30 FFEDMM CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2ncc(F)cc2F)c(=O)[n-]1 ZINC001263664409 1042424968 /nfs/dbraw/zinc/42/49/68/1042424968.db2.gz BZBMXZSXHOPHCL-LLVKDONJSA-N -1 1 364.377 2.695 20 30 FFEDMM COC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2ccc(C#N)c([O-])c2)n1C ZINC001264008880 1042579105 /nfs/dbraw/zinc/57/91/05/1042579105.db2.gz DNYGXYGPYRJQBE-INIZCTEOSA-N -1 1 367.405 2.756 20 30 FFEDMM COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001333557485 1048972462 /nfs/dbraw/zinc/97/24/62/1048972462.db2.gz RYTADXWQWCMOLV-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM Cc1ccc(C#N)cc1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001296143954 1050029135 /nfs/dbraw/zinc/02/91/35/1050029135.db2.gz YDVWLWLACXTNGR-HNNXBMFYSA-N -1 1 370.775 2.692 20 30 FFEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2cccc([O-])c2F)CC1 ZINC001296678351 1050082104 /nfs/dbraw/zinc/08/21/04/1050082104.db2.gz VKESZWHVBXYGNS-UHFFFAOYSA-N -1 1 355.369 2.918 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001341854985 1050467206 /nfs/dbraw/zinc/46/72/06/1050467206.db2.gz WGGMZYWZCACIJB-UKRRQHHQSA-N -1 1 350.430 2.622 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001341854985 1050467208 /nfs/dbraw/zinc/46/72/08/1050467208.db2.gz WGGMZYWZCACIJB-UKRRQHHQSA-N -1 1 350.430 2.622 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001341868294 1050476157 /nfs/dbraw/zinc/47/61/57/1050476157.db2.gz LOYMGMPNBMTDBP-CYBMUJFWSA-N -1 1 355.780 2.528 20 30 FFEDMM Cc1cc(C#N)cnc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001306831078 1052195949 /nfs/dbraw/zinc/19/59/49/1052195949.db2.gz UVWRKBVOJNZYQV-UHFFFAOYSA-N -1 1 354.757 2.658 20 30 FFEDMM Cc1cc(C#N)cnc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001306831078 1052195951 /nfs/dbraw/zinc/19/59/51/1052195951.db2.gz UVWRKBVOJNZYQV-UHFFFAOYSA-N -1 1 354.757 2.658 20 30 FFEDMM N#Cc1ccc([C@H]2CN(Cc3cc(=O)oc4cc([O-])ccc34)CCO2)cc1 ZINC001308113692 1052410429 /nfs/dbraw/zinc/41/04/29/1052410429.db2.gz GMHLJJICURIJCS-HXUWFJFHSA-N -1 1 362.385 2.944 20 30 FFEDMM COCCOc1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001343989911 1052532148 /nfs/dbraw/zinc/53/21/48/1052532148.db2.gz GPWPSYKSRSBNPQ-INIZCTEOSA-N -1 1 362.389 2.727 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001351770367 1054991607 /nfs/dbraw/zinc/99/16/07/1054991607.db2.gz XHTGQRRDZDHEPP-BXUZGUMPSA-N -1 1 372.454 2.588 20 30 FFEDMM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001543811002 1071549460 /nfs/dbraw/zinc/54/94/60/1071549460.db2.gz VVZZKNPVAJLRKV-OAHLLOKOSA-N -1 1 360.418 2.688 20 30 FFEDMM COc1ccc(CCNC(=S)Nc2c([O-])cccc2C#N)cc1OC ZINC001200081887 1055633067 /nfs/dbraw/zinc/63/30/67/1055633067.db2.gz GNDLJNZUHCEWLB-UHFFFAOYSA-N -1 1 357.435 2.810 20 30 FFEDMM CCn1c([C@H]2C[C@H]2C#N)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001352688520 1055715522 /nfs/dbraw/zinc/71/55/22/1055715522.db2.gz CZZSLPZELSAAKE-RDJZCZTQSA-N -1 1 365.437 2.730 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCS[C@H](C)[C@H]1C ZINC001338710495 1055750295 /nfs/dbraw/zinc/75/02/95/1055750295.db2.gz XLTUNWBOJRUIPN-VXGBXAGGSA-N -1 1 372.498 2.834 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001339209645 1056208034 /nfs/dbraw/zinc/20/80/34/1056208034.db2.gz CLISNOGIRKMXDG-GFCCVEGCSA-N -1 1 361.759 2.681 20 30 FFEDMM C#CCN(CC)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1Cc1ccccc1 ZINC001353940667 1058401747 /nfs/dbraw/zinc/40/17/47/1058401747.db2.gz XWAZJLJCHLXJQG-UHFFFAOYSA-N -1 1 374.448 2.826 20 30 FFEDMM C#C[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000848291611 1059615482 /nfs/dbraw/zinc/61/54/82/1059615482.db2.gz WPOPSTIHTIIMDS-INIZCTEOSA-N -1 1 368.458 2.973 20 30 FFEDMM COc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1C#N ZINC001454986498 1059658888 /nfs/dbraw/zinc/65/88/88/1059658888.db2.gz JLHMQDWTPSDCSM-UHFFFAOYSA-N -1 1 355.300 2.939 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H]2COc3cccc(Br)c3C2)cc1[O-] ZINC001455113368 1059697898 /nfs/dbraw/zinc/69/78/98/1059697898.db2.gz NYOMBMNYJHZXSQ-LBPRGKRZSA-N -1 1 373.206 2.760 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCc2cc(F)ccc2C1 ZINC001520596297 1059854458 /nfs/dbraw/zinc/85/44/58/1059854458.db2.gz LLDZZAWLVKHGIW-UHFFFAOYSA-N -1 1 359.796 2.604 20 30 FFEDMM C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2[O-])n1C[C@H]1CCOC1 ZINC001516205652 1059997029 /nfs/dbraw/zinc/99/70/29/1059997029.db2.gz ONTYQKQJGNUXHI-QWHCGFSZSA-N -1 1 360.845 2.799 20 30 FFEDMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC001475489152 1061111524 /nfs/dbraw/zinc/11/15/24/1061111524.db2.gz NESDRNHGZDONGK-QWRGUYRKSA-N -1 1 351.394 2.852 20 30 FFEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001528878199 1062074239 /nfs/dbraw/zinc/07/42/39/1062074239.db2.gz HMVBZOMNDOERHG-CYBMUJFWSA-N -1 1 366.450 2.689 20 30 FFEDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)CC2 ZINC001464008083 1062376970 /nfs/dbraw/zinc/37/69/70/1062376970.db2.gz ZSSNNLQUJJQMKV-MRXNPFEDSA-N -1 1 357.391 2.741 20 30 FFEDMM Cc1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc(C)c1C#N ZINC001466402851 1063422008 /nfs/dbraw/zinc/42/20/08/1063422008.db2.gz LTUCDOPJDYRECX-UHFFFAOYSA-N -1 1 361.398 2.938 20 30 FFEDMM CC#CCN(C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001468530963 1064000845 /nfs/dbraw/zinc/00/08/45/1064000845.db2.gz IOVMQLFKWNRELI-UHFFFAOYSA-N -1 1 371.462 2.652 20 30 FFEDMM C[C@@H]1C[C@H]1[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001576093358 1078195297 /nfs/dbraw/zinc/19/52/97/1078195297.db2.gz BXXVPVCYQWIXRC-DDHOLCJHSA-N -1 1 366.816 2.991 20 30 FFEDMM CCCCCCCC[C@@H](CO)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001577505218 1078370292 /nfs/dbraw/zinc/37/02/92/1078370292.db2.gz HZPXRKITQULEDF-ZDUSSCGKSA-N -1 1 363.437 2.847 20 30 FFEDMM CCCCCCCC[C@@H](CO)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001577505218 1078370295 /nfs/dbraw/zinc/37/02/95/1078370295.db2.gz HZPXRKITQULEDF-ZDUSSCGKSA-N -1 1 363.437 2.847 20 30 FFEDMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[n-]1 ZINC001584268129 1079331055 /nfs/dbraw/zinc/33/10/55/1079331055.db2.gz DFUMYBYRLDFJFL-NSHDSACASA-N -1 1 353.378 2.693 20 30 FFEDMM N#Cc1cnn(-c2ccc(C(=O)Nc3ccc([O-])c(F)c3F)cc2)c1N ZINC001556591873 1075756087 /nfs/dbraw/zinc/75/60/87/1075756087.db2.gz OBCWXPLECNIJKX-UHFFFAOYSA-N -1 1 355.304 2.562 20 30 FFEDMM N#Cc1ccnc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC001559925079 1076202987 /nfs/dbraw/zinc/20/29/87/1076202987.db2.gz KRXDGYWBDUTLMR-OAHLLOKOSA-N -1 1 360.339 2.563 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)C(C)C ZINC001561519498 1076387873 /nfs/dbraw/zinc/38/78/73/1076387873.db2.gz VYOWCSOMCKAZCT-ZDUSSCGKSA-N -1 1 361.822 2.592 20 30 FFEDMM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1nc[nH]c1Br ZINC001561646722 1076402588 /nfs/dbraw/zinc/40/25/88/1076402588.db2.gz GQFYVCVLKSYMST-GFCCVEGCSA-N -1 1 370.272 2.638 20 30 FFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1ccc(C)c(C#N)c1 ZINC001561907359 1076442857 /nfs/dbraw/zinc/44/28/57/1076442857.db2.gz SGRYTXREQBHIBC-UHFFFAOYSA-N -1 1 352.362 2.632 20 30 FFEDMM Cc1cc(C=O)c([O-])c(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 ZINC001586691332 1079669173 /nfs/dbraw/zinc/66/91/73/1079669173.db2.gz MMDHKZKWSHFTKE-UHFFFAOYSA-N -1 1 363.417 2.784 20 30 FFEDMM C#C[C@H](CC)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001588326198 1079983719 /nfs/dbraw/zinc/98/37/19/1079983719.db2.gz GUKZSDMSTASYEW-CYBMUJFWSA-N -1 1 365.368 2.940 20 30 FFEDMM C#C[C@H](CC)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001588326198 1079983725 /nfs/dbraw/zinc/98/37/25/1079983725.db2.gz GUKZSDMSTASYEW-CYBMUJFWSA-N -1 1 365.368 2.940 20 30 FFEDMM C#CCCCNC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001588345635 1079990260 /nfs/dbraw/zinc/99/02/60/1079990260.db2.gz NGBAAIRVNBSFRL-UHFFFAOYSA-N -1 1 363.381 2.589 20 30 FFEDMM C#CCCCNC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001588345635 1079990262 /nfs/dbraw/zinc/99/02/62/1079990262.db2.gz NGBAAIRVNBSFRL-UHFFFAOYSA-N -1 1 363.381 2.589 20 30 FFEDMM C#CCN(Cc1ccccc1)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001588351763 1079991547 /nfs/dbraw/zinc/99/15/47/1079991547.db2.gz IUWBPGGVGZONDY-UHFFFAOYSA-N -1 1 358.327 2.920 20 30 FFEDMM C#CCN(Cc1ccccc1)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001588351763 1079991553 /nfs/dbraw/zinc/99/15/53/1079991553.db2.gz IUWBPGGVGZONDY-UHFFFAOYSA-N -1 1 358.327 2.920 20 30 FFEDMM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588350635 1079992810 /nfs/dbraw/zinc/99/28/10/1079992810.db2.gz ISSDJCSYEOXMPW-UHFFFAOYSA-N -1 1 371.322 2.560 20 30 FFEDMM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588350635 1079992819 /nfs/dbraw/zinc/99/28/19/1079992819.db2.gz ISSDJCSYEOXMPW-UHFFFAOYSA-N -1 1 371.322 2.560 20 30 FFEDMM C#Cc1ccc([C@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C(F)(F)F)cc1 ZINC001588373392 1079996813 /nfs/dbraw/zinc/99/68/13/1079996813.db2.gz IYITTYZTUMZNNL-ZDUSSCGKSA-N -1 1 362.267 2.901 20 30 FFEDMM C=CCN(CCc1ccccc1)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588635125 1080130723 /nfs/dbraw/zinc/13/07/23/1080130723.db2.gz DLWJNWYWLBDEHX-UHFFFAOYSA-N -1 1 369.454 2.894 20 30 FFEDMM C=CCN(CCc1ccccc1)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588635125 1080130726 /nfs/dbraw/zinc/13/07/26/1080130726.db2.gz DLWJNWYWLBDEHX-UHFFFAOYSA-N -1 1 369.454 2.894 20 30 FFEDMM Cc1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c(O)c1 ZINC001588781678 1080193423 /nfs/dbraw/zinc/19/34/23/1080193423.db2.gz JCGVLZHMJKBKBJ-UHFFFAOYSA-N -1 1 355.402 2.903 20 30 FFEDMM CC(C)(C)[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1cccc(F)c1 ZINC001589095953 1080351549 /nfs/dbraw/zinc/35/15/49/1080351549.db2.gz OBYSWFGIHHQOBX-HNNXBMFYSA-N -1 1 352.377 2.867 20 30 FFEDMM CC(C)(C)[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cccc(F)c1 ZINC001589095953 1080351554 /nfs/dbraw/zinc/35/15/54/1080351554.db2.gz OBYSWFGIHHQOBX-HNNXBMFYSA-N -1 1 352.377 2.867 20 30 FFEDMM CC(C)(C)[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001589095791 1080351812 /nfs/dbraw/zinc/35/18/12/1080351812.db2.gz MTVGLRDBGJUROI-OAHLLOKOSA-N -1 1 352.377 2.867 20 30 FFEDMM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)N(CCC#N)c1ccccc1 ZINC001589131981 1080379011 /nfs/dbraw/zinc/37/90/11/1080379011.db2.gz GLZNDUDEEACGSS-APWZRJJASA-N -1 1 365.433 2.607 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCc2cccnc2)o1 ZINC001589837428 1080790293 /nfs/dbraw/zinc/79/02/93/1080790293.db2.gz ZSUUNSDVBDTXIH-UHFFFAOYSA-N -1 1 354.418 2.869 20 30 FFEDMM CC(C)c1ccc(O[C@H](C)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001589880009 1080828065 /nfs/dbraw/zinc/82/80/65/1080828065.db2.gz XMXQDADQNHDLLD-GFCCVEGCSA-N -1 1 364.413 2.531 20 30 FFEDMM CC(C)c1ccc(O[C@H](C)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001589880009 1080828075 /nfs/dbraw/zinc/82/80/75/1080828075.db2.gz XMXQDADQNHDLLD-GFCCVEGCSA-N -1 1 364.413 2.531 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001589956563 1080901891 /nfs/dbraw/zinc/90/18/91/1080901891.db2.gz PUSNOBKJXMVJQR-IXDOHACOSA-N -1 1 371.437 2.768 20 30 FFEDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2(C#N)CCCC2)cc1 ZINC000097042202 209168376 /nfs/dbraw/zinc/16/83/76/209168376.db2.gz MIGJXTGJRZOGNP-UHFFFAOYSA-N -1 1 371.466 2.959 20 30 FFEDMM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000288278079 257169585 /nfs/dbraw/zinc/16/95/85/257169585.db2.gz IKXVNLFIDWBVBE-OAHLLOKOSA-N -1 1 360.439 2.635 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2C[C@H]1C ZINC000028678704 507736597 /nfs/dbraw/zinc/73/65/97/507736597.db2.gz XMLFTBVUQGNUKT-GFCCVEGCSA-N -1 1 355.419 2.657 20 30 FFEDMM Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)no1 ZINC000108250994 507882782 /nfs/dbraw/zinc/88/27/82/507882782.db2.gz CVGVEPKRGQFRJG-UHFFFAOYSA-N -1 1 370.390 2.630 20 30 FFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000080306112 508064415 /nfs/dbraw/zinc/06/44/15/508064415.db2.gz QTSQRXZHVIDOHX-ZETCQYMHSA-N -1 1 359.333 2.778 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1F ZINC000114673757 508335664 /nfs/dbraw/zinc/33/56/64/508335664.db2.gz PJUMIBDZEGPRDQ-UHFFFAOYSA-N -1 1 364.398 2.832 20 30 FFEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000077956432 508394378 /nfs/dbraw/zinc/39/43/78/508394378.db2.gz QPDMPQOKRFOBKO-UHFFFAOYSA-N -1 1 363.826 2.762 20 30 FFEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc21 ZINC000134443150 508532736 /nfs/dbraw/zinc/53/27/36/508532736.db2.gz IFTYQSWDERPOFD-UHFFFAOYSA-N -1 1 355.419 2.658 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1C ZINC000116711779 508549847 /nfs/dbraw/zinc/54/98/47/508549847.db2.gz NBAFZRXUEZDJSX-QHCPKHFHSA-N -1 1 362.476 2.854 20 30 FFEDMM CC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000162048826 509170625 /nfs/dbraw/zinc/17/06/25/509170625.db2.gz NTGHIIZQYPMYRX-SFHVURJKSA-N -1 1 357.435 2.909 20 30 FFEDMM N#Cc1ccc(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1[O-] ZINC000189202304 509461069 /nfs/dbraw/zinc/46/10/69/509461069.db2.gz TXCLOLBPGVPPLC-UHFFFAOYSA-N -1 1 366.352 2.816 20 30 FFEDMM CCOC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C)c1C ZINC000189221035 509469297 /nfs/dbraw/zinc/46/92/97/509469297.db2.gz DXUDZKWRGIFPIQ-GOSISDBHSA-N -1 1 352.390 2.915 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000174041111 509919848 /nfs/dbraw/zinc/91/98/48/509919848.db2.gz KOIJAJOYLGUENB-SECBINFHSA-N -1 1 368.846 2.932 20 30 FFEDMM N#Cc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c[nH]1 ZINC000180453167 509933001 /nfs/dbraw/zinc/93/30/01/509933001.db2.gz IJEWRCCQRZOKTR-UHFFFAOYSA-N -1 1 366.402 2.939 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c(Cl)c1 ZINC000181117925 510279126 /nfs/dbraw/zinc/27/91/26/510279126.db2.gz FDOXEEGPZMCVSP-UHFFFAOYSA-N -1 1 350.783 2.640 20 30 FFEDMM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190819428 510358881 /nfs/dbraw/zinc/35/88/81/510358881.db2.gz WDSPWARMGRFRKG-LURJTMIESA-N -1 1 355.616 2.680 20 30 FFEDMM C[C@H](C#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000171840155 510401730 /nfs/dbraw/zinc/40/17/30/510401730.db2.gz KDMJIAPIAWSXFC-GFCCVEGCSA-N -1 1 361.398 2.516 20 30 FFEDMM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000182017137 510712789 /nfs/dbraw/zinc/71/27/89/510712789.db2.gz QRBHOVCHHGUFTH-UHFFFAOYSA-N -1 1 371.462 2.711 20 30 FFEDMM COC(=O)c1cnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)[n-]1 ZINC000278745758 511005771 /nfs/dbraw/zinc/00/57/71/511005771.db2.gz VYXCRKGNQVINAX-ZDUSSCGKSA-N -1 1 372.450 2.932 20 30 FFEDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)n1 ZINC000278745758 511005777 /nfs/dbraw/zinc/00/57/77/511005777.db2.gz VYXCRKGNQVINAX-ZDUSSCGKSA-N -1 1 372.450 2.932 20 30 FFEDMM CC1(C)C[C@@]1(C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000292418025 511589825 /nfs/dbraw/zinc/58/98/25/511589825.db2.gz HSQFXSDBHLJEPE-HNNXBMFYSA-N -1 1 371.315 2.925 20 30 FFEDMM N#CCc1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281292461 511792866 /nfs/dbraw/zinc/79/28/66/511792866.db2.gz HHPDAFQFTXEZSP-UHFFFAOYSA-N -1 1 368.359 2.675 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000326215474 511854303 /nfs/dbraw/zinc/85/43/03/511854303.db2.gz YLVOJRMAYLLBCJ-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc(OC)c1OC ZINC000327102064 511869567 /nfs/dbraw/zinc/86/95/67/511869567.db2.gz PAQBDHPUELRILP-UHFFFAOYSA-N -1 1 362.407 2.693 20 30 FFEDMM Cc1nc(C2(N=C([O-])c3cccn4c(=O)[nH]nc34)CCCCCC2)no1 ZINC000329482245 512056078 /nfs/dbraw/zinc/05/60/78/512056078.db2.gz DQEZRFGWAKMQGZ-UHFFFAOYSA-N -1 1 356.386 2.681 20 30 FFEDMM CCc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC)cc1C(=O)[O-] ZINC000440828420 513418245 /nfs/dbraw/zinc/41/82/45/513418245.db2.gz BZWNWWQKKAVDTE-UHFFFAOYSA-N -1 1 360.391 2.628 20 30 FFEDMM Cn1ccc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(F)cc2)n1 ZINC000443124213 513879286 /nfs/dbraw/zinc/87/92/86/513879286.db2.gz AOKSZMXRGQIFBJ-SFHVURJKSA-N -1 1 350.353 2.656 20 30 FFEDMM COc1cc(CNC(=O)c2ccc(Br)cc2[O-])ccc1C#N ZINC000436560589 513896877 /nfs/dbraw/zinc/89/68/77/513896877.db2.gz DULLNTJFUCECOU-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@@H](CO)Cc2c(F)cccc2Cl)cc1[O-] ZINC000443278311 513917971 /nfs/dbraw/zinc/91/79/71/513917971.db2.gz VPJSGHFPBVKJIX-NSHDSACASA-N -1 1 362.788 2.637 20 30 FFEDMM CC(C)(C)[C@H](C#N)NC(=O)c1cc(I)ccc1[O-] ZINC000436917368 514034347 /nfs/dbraw/zinc/03/43/47/514034347.db2.gz DLAMMRHUNJOSAR-NSHDSACASA-N -1 1 358.179 2.665 20 30 FFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000416958358 514068633 /nfs/dbraw/zinc/06/86/33/514068633.db2.gz LPITWADYQAIZDO-ZDUSSCGKSA-N -1 1 358.345 2.935 20 30 FFEDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)C(F)(F)F ZINC000443936659 514075875 /nfs/dbraw/zinc/07/58/75/514075875.db2.gz RMORSVCDNMEIFS-ZANVPECISA-N -1 1 350.362 2.822 20 30 FFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1F ZINC000427109985 514119324 /nfs/dbraw/zinc/11/93/24/514119324.db2.gz JTDCMOXAAHTJCQ-UHFFFAOYSA-N -1 1 351.334 2.596 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1C#N ZINC000427753304 514302923 /nfs/dbraw/zinc/30/29/23/514302923.db2.gz PFIXHTCNSJZZAL-UHFFFAOYSA-N -1 1 363.349 2.876 20 30 FFEDMM N#CC[C@@H]1CC[C@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000452561688 514402116 /nfs/dbraw/zinc/40/21/16/514402116.db2.gz DIFQYIZPEKYWMM-ONGXEEELSA-N -1 1 370.190 2.809 20 30 FFEDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000507949864 514620962 /nfs/dbraw/zinc/62/09/62/514620962.db2.gz OHYBVUXQAQPCIN-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000507968642 514626075 /nfs/dbraw/zinc/62/60/75/514626075.db2.gz JTDUIAYMRHYPPH-UHFFFAOYSA-N -1 1 350.371 2.653 20 30 FFEDMM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467155535 514921545 /nfs/dbraw/zinc/92/15/45/514921545.db2.gz QAPQTCTWHMSCQR-UHFFFAOYSA-N -1 1 372.780 2.977 20 30 FFEDMM CC#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000498574720 514980430 /nfs/dbraw/zinc/98/04/30/514980430.db2.gz AJNNWCRFHJATKC-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000471914092 515052152 /nfs/dbraw/zinc/05/21/52/515052152.db2.gz DTCHBJFTQFJCKC-UHFFFAOYSA-N -1 1 362.382 2.788 20 30 FFEDMM C=CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000490605376 515262326 /nfs/dbraw/zinc/26/23/26/515262326.db2.gz KDJCOYKYNSNPJR-UHFFFAOYSA-N -1 1 352.456 2.718 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CC#N)cc2)c1 ZINC000504655265 515349171 /nfs/dbraw/zinc/34/91/71/515349171.db2.gz QHIOAOOYFZOZBX-UHFFFAOYSA-N -1 1 357.435 2.700 20 30 FFEDMM CO[C@@H](C)c1nc(=NC2CCC(Oc3ncccc3C#N)CC2)s[n-]1 ZINC000509869407 515353667 /nfs/dbraw/zinc/35/36/67/515353667.db2.gz LXPKQUAXMVMJMI-XGNXJENSSA-N -1 1 359.455 2.736 20 30 FFEDMM COC(=O)c1cccc2nc(NC(=O)CSc3ccc(C#N)cc3)[nH]c21 ZINC000494102789 515733665 /nfs/dbraw/zinc/73/36/65/515733665.db2.gz AGWPYXHUBJPTHE-UHFFFAOYSA-N -1 1 366.402 2.952 20 30 FFEDMM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000494378723 515825950 /nfs/dbraw/zinc/82/59/50/515825950.db2.gz SNMINDVRDOBPFS-OAHLLOKOSA-N -1 1 356.488 2.502 20 30 FFEDMM N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1cnc2ccccc2n1 ZINC000483229548 515995523 /nfs/dbraw/zinc/99/55/23/515995523.db2.gz BKBOBVLUCKHELM-CQSZACIVSA-N -1 1 359.389 2.684 20 30 FFEDMM C=C[C@@H]1CCCCN1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000488256962 516179203 /nfs/dbraw/zinc/17/92/03/516179203.db2.gz QLCKEWSNKKGPLU-CYBMUJFWSA-N -1 1 353.444 2.639 20 30 FFEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000561214236 516456316 /nfs/dbraw/zinc/45/63/16/516456316.db2.gz VBXRMFZVMVEINZ-UHFFFAOYSA-N -1 1 363.439 2.516 20 30 FFEDMM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)CC1(C#N)CCCC1 ZINC000547932775 516640111 /nfs/dbraw/zinc/64/01/11/516640111.db2.gz MZBYDSIHKYKXDY-UHFFFAOYSA-N -1 1 366.439 2.998 20 30 FFEDMM N#Cc1cnccc1NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000548152703 516795228 /nfs/dbraw/zinc/79/52/28/516795228.db2.gz YYMXLWIFEFKPJZ-UHFFFAOYSA-N -1 1 364.430 2.788 20 30 FFEDMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccc(C#N)c(F)c3)n2)cc1 ZINC000562498163 517145960 /nfs/dbraw/zinc/14/59/60/517145960.db2.gz YFMSCFQMVJSREN-UHFFFAOYSA-N -1 1 356.382 2.765 20 30 FFEDMM Cc1ccc(-c2nc(S(=O)(=O)Cc3ccc(C#N)c(F)c3)n[n-]2)cc1 ZINC000562498163 517145964 /nfs/dbraw/zinc/14/59/64/517145964.db2.gz YFMSCFQMVJSREN-UHFFFAOYSA-N -1 1 356.382 2.765 20 30 FFEDMM C[C@@H](C#N)CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000538089259 517462243 /nfs/dbraw/zinc/46/22/43/517462243.db2.gz GTWXVLLCISIBRP-ZDUSSCGKSA-N -1 1 374.422 2.991 20 30 FFEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2cc(F)ccc2[O-])CC1 ZINC000527114078 517508440 /nfs/dbraw/zinc/50/84/40/517508440.db2.gz RMLJPZWSQUKTIO-UHFFFAOYSA-N -1 1 355.369 2.918 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2CCC(=O)[O-])c(F)c1 ZINC000556702953 517582785 /nfs/dbraw/zinc/58/27/85/517582785.db2.gz GWZYJPVFPZOCBE-SMDDNHRTSA-N -1 1 372.393 2.538 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCc2nc(-c3ccncc3)cs2)o1 ZINC000553479881 517737098 /nfs/dbraw/zinc/73/70/98/517737098.db2.gz RCQYUVZOHXQZCF-UHFFFAOYSA-N -1 1 374.447 2.581 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1 ZINC000576038238 518398731 /nfs/dbraw/zinc/39/87/31/518398731.db2.gz JLRJUTREWLSSMZ-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000576856221 518798257 /nfs/dbraw/zinc/79/82/57/518798257.db2.gz QRTZJNLDVYQCNC-UHFFFAOYSA-N -1 1 357.435 2.759 20 30 FFEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3c(F)ccc([O-])c3F)n2)c1 ZINC000573846215 518863091 /nfs/dbraw/zinc/86/30/91/518863091.db2.gz XJEWKTQYLIJBHV-UHFFFAOYSA-N -1 1 354.316 2.862 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000589160085 518933291 /nfs/dbraw/zinc/93/32/91/518933291.db2.gz QMZVHKLCUXMZKN-UHFFFAOYSA-N -1 1 363.417 2.820 20 30 FFEDMM COc1cc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc(OC)c1OC ZINC000589169741 518937627 /nfs/dbraw/zinc/93/76/27/518937627.db2.gz PIABISUAUTVPFR-LLVKDONJSA-N -1 1 356.378 2.781 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000589175216 518940009 /nfs/dbraw/zinc/94/00/09/518940009.db2.gz GUMQGGBEXALDFH-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589181227 518941465 /nfs/dbraw/zinc/94/14/65/518941465.db2.gz XQJVRBICUWVYNP-UHFFFAOYSA-N -1 1 358.419 2.839 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000589530346 519024665 /nfs/dbraw/zinc/02/46/65/519024665.db2.gz ABGWZNXCXREPHP-JKSUJKDBSA-N -1 1 368.393 2.866 20 30 FFEDMM COCCc1nc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc2o1 ZINC000589585928 519034742 /nfs/dbraw/zinc/03/47/42/519034742.db2.gz WXKVSGGEOVJWPD-UHFFFAOYSA-N -1 1 371.418 2.884 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)o1 ZINC000569525625 519594162 /nfs/dbraw/zinc/59/41/62/519594162.db2.gz LWEHIHUANRZPCV-GFCCVEGCSA-N -1 1 355.297 2.713 20 30 FFEDMM CCOC1(CS(=O)(=O)[N-]c2ccc(C#N)cc2Cl)CCOCC1 ZINC000600652767 520375952 /nfs/dbraw/zinc/37/59/52/520375952.db2.gz CRGRMWKMIGWPBM-UHFFFAOYSA-N -1 1 358.847 2.539 20 30 FFEDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1F ZINC000600668282 520384857 /nfs/dbraw/zinc/38/48/57/520384857.db2.gz MLDFQJHEAIUVIX-CYBMUJFWSA-N -1 1 372.393 2.502 20 30 FFEDMM COC(=O)c1oc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)cc1C ZINC000595342766 520419188 /nfs/dbraw/zinc/41/91/88/520419188.db2.gz RASFDSWNVUCIMT-UHFFFAOYSA-N -1 1 374.418 2.604 20 30 FFEDMM CCOc1cc2c(cc1CNC(=O)c1cc([O-])cc(C#N)c1)O[C@@H](C)C2 ZINC000614293000 520895828 /nfs/dbraw/zinc/89/58/28/520895828.db2.gz MHNVRXMLUKUYEE-LBPRGKRZSA-N -1 1 352.390 2.916 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000614298470 520896937 /nfs/dbraw/zinc/89/69/37/520896937.db2.gz PMTDOWSVYNIUKW-UHFFFAOYSA-N -1 1 364.430 2.836 20 30 FFEDMM COc1cccc(-c2noc([C@H](C)NC(=O)c3cc([O-])cc(C#N)c3)n2)c1 ZINC000614300633 520898235 /nfs/dbraw/zinc/89/82/35/520898235.db2.gz NLUDXWGDSGWCMM-NSHDSACASA-N -1 1 364.361 2.813 20 30 FFEDMM C[C@@H](c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1)N1CCOCC1 ZINC000614366595 520927813 /nfs/dbraw/zinc/92/78/13/520927813.db2.gz SSPPPSOLRYWSHS-AWEZNQCLSA-N -1 1 351.406 2.909 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000618280009 520977925 /nfs/dbraw/zinc/97/79/25/520977925.db2.gz QQJQBIYZNCYVCA-UHFFFAOYSA-N -1 1 350.418 2.721 20 30 FFEDMM C=CCC1(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCC1 ZINC000619104786 521401753 /nfs/dbraw/zinc/40/17/53/521401753.db2.gz WKZOEDSPXTTYPI-UHFFFAOYSA-N -1 1 352.438 2.688 20 30 FFEDMM CCN1C[C@H](CN(C)C(=O)c2ccc(C#N)c([O-])c2)Oc2ccccc21 ZINC000615439065 521404500 /nfs/dbraw/zinc/40/45/00/521404500.db2.gz IFHQVALZCZCRTE-INIZCTEOSA-N -1 1 351.406 2.623 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c1 ZINC000619461482 521579159 /nfs/dbraw/zinc/57/91/59/521579159.db2.gz KVJTWZQWWFKRKF-UHFFFAOYSA-N -1 1 359.432 2.598 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)cc1[O-] ZINC000619677131 521821382 /nfs/dbraw/zinc/82/13/82/521821382.db2.gz OYKQJCBDSTWWHQ-QGZVFWFLSA-N -1 1 361.401 2.829 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000822016016 607255894 /nfs/dbraw/zinc/25/58/94/607255894.db2.gz SQGDWOYNTNLNCQ-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)[O-])c2)n1 ZINC000737154573 600056488 /nfs/dbraw/zinc/05/64/88/600056488.db2.gz DMSACENNVUKWDL-NSHDSACASA-N -1 1 359.363 2.900 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000737154573 600056490 /nfs/dbraw/zinc/05/64/90/600056490.db2.gz DMSACENNVUKWDL-NSHDSACASA-N -1 1 359.363 2.900 20 30 FFEDMM N#Cc1ccc(OCC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739129192 600143485 /nfs/dbraw/zinc/14/34/85/600143485.db2.gz QYLHDNGFKNVVSV-UHFFFAOYSA-N -1 1 360.797 2.883 20 30 FFEDMM N#Cc1ccc(OCC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739129192 600143486 /nfs/dbraw/zinc/14/34/86/600143486.db2.gz QYLHDNGFKNVVSV-UHFFFAOYSA-N -1 1 360.797 2.883 20 30 FFEDMM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)[nH]n2)o1 ZINC000738487599 600612984 /nfs/dbraw/zinc/61/29/84/600612984.db2.gz BZUYEXVIWMUZBO-MRXNPFEDSA-N -1 1 351.318 2.833 20 30 FFEDMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCCSCC#N)CC2 ZINC000832103129 600793270 /nfs/dbraw/zinc/79/32/70/600793270.db2.gz LHYMSCANWPTZOH-OAHLLOKOSA-N -1 1 364.467 2.725 20 30 FFEDMM C#CCNC(=O)C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000825620152 600992476 /nfs/dbraw/zinc/99/24/76/600992476.db2.gz XPJDEYLAMNZHLO-OAHLLOKOSA-N -1 1 369.248 2.581 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000825967381 601937562 /nfs/dbraw/zinc/93/75/62/601937562.db2.gz VASVPKZOVSTRPH-ACJLOTCBSA-N -1 1 361.467 2.673 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739015095 602445026 /nfs/dbraw/zinc/44/50/26/602445026.db2.gz JJLDIHKCXSGPOT-JKSUJKDBSA-N -1 1 372.469 2.690 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000740129963 602531205 /nfs/dbraw/zinc/53/12/05/602531205.db2.gz IEYPYQDWMGWWDZ-IRXDYDNUSA-N -1 1 372.469 2.562 20 30 FFEDMM N#CC(C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])c1ccc2ccccc2n1 ZINC000831065234 604215013 /nfs/dbraw/zinc/21/50/13/604215013.db2.gz PTJXVIXXNJGHPM-HUUCEWRRSA-N -1 1 353.378 2.570 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825254411 604225386 /nfs/dbraw/zinc/22/53/86/604225386.db2.gz MQPFSVDBYMTELF-GVDBMIGSSA-N -1 1 372.469 2.690 20 30 FFEDMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000825254412 604225433 /nfs/dbraw/zinc/22/54/33/604225433.db2.gz MQPFSVDBYMTELF-ULQDDVLXSA-N -1 1 372.469 2.690 20 30 FFEDMM CC[C@@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2cccnc2)ccc1OC ZINC000828585965 605001897 /nfs/dbraw/zinc/00/18/97/605001897.db2.gz BIAWMQCXVLXZNA-MAUKXSAKSA-N -1 1 355.394 2.687 20 30 FFEDMM C=CCN1C(=O)N=NC1S[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000833380776 605263001 /nfs/dbraw/zinc/26/30/01/605263001.db2.gz PAKWZVOFLQOXKW-LLVKDONJSA-N -1 1 373.356 2.977 20 30 FFEDMM Cc1ccc(C)c(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822232281 606368874 /nfs/dbraw/zinc/36/88/74/606368874.db2.gz ZNRZCTFOPXAVPS-UHFFFAOYSA-N -1 1 357.468 2.866 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000822922921 606391572 /nfs/dbraw/zinc/39/15/72/606391572.db2.gz KXMGOEINOHEOCV-ALCCZGGFSA-N -1 1 367.390 2.781 20 30 FFEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819745392 606537265 /nfs/dbraw/zinc/53/72/65/606537265.db2.gz ASTDJZAGJGAINS-UHFFFAOYSA-N -1 1 350.407 2.628 20 30 FFEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819745392 606537267 /nfs/dbraw/zinc/53/72/67/606537267.db2.gz ASTDJZAGJGAINS-UHFFFAOYSA-N -1 1 350.407 2.628 20 30 FFEDMM Cc1nn(C(C)(C)C)c(C)c1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826332792 607887657 /nfs/dbraw/zinc/88/76/57/607887657.db2.gz HVNTZFIXIPGKBK-UHFFFAOYSA-N -1 1 371.449 2.992 20 30 FFEDMM C#CCCCSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC000823842001 608261950 /nfs/dbraw/zinc/26/19/50/608261950.db2.gz XDDOXVMGUOUNJU-UHFFFAOYSA-N -1 1 368.422 2.543 20 30 FFEDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000826279903 609338547 /nfs/dbraw/zinc/33/85/47/609338547.db2.gz GUHRWLSLCKZWAW-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM C#CCSCCNC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000156113018 728843037 /nfs/dbraw/zinc/84/30/37/728843037.db2.gz YFDMIKDAUXFZEI-UHFFFAOYSA-N -1 1 360.508 2.789 20 30 FFEDMM COc1ccc(Br)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000158675078 728892161 /nfs/dbraw/zinc/89/21/61/728892161.db2.gz UWAQFYDVZFHZEF-VFQAQYNWSA-N -1 1 365.179 2.686 20 30 FFEDMM COc1sc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Br ZINC000160188002 728918465 /nfs/dbraw/zinc/91/84/65/728918465.db2.gz CMKXIDGPHQHWIQ-PCAWENJQSA-N -1 1 371.208 2.747 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCCc3ccccc32)cc1 ZINC000746491412 735487702 /nfs/dbraw/zinc/48/77/02/735487702.db2.gz CUNWHVMMRJJAGG-UHFFFAOYSA-N -1 1 359.407 2.755 20 30 FFEDMM CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])[C@H](C)C#N ZINC000856075906 730302658 /nfs/dbraw/zinc/30/26/58/730302658.db2.gz SAQIZPZOIARTNT-SECBINFHSA-N -1 1 359.304 2.877 20 30 FFEDMM CN(C)C[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000857619864 730402442 /nfs/dbraw/zinc/40/24/42/730402442.db2.gz HPCYWGMJJQXUCQ-ZDUSSCGKSA-N -1 1 360.202 2.501 20 30 FFEDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000779848074 738489977 /nfs/dbraw/zinc/48/99/77/738489977.db2.gz KQTORIQJFRFNLK-LBPRGKRZSA-N -1 1 360.391 2.785 20 30 FFEDMM C=CCC[C@H](O)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000652489703 731200809 /nfs/dbraw/zinc/20/08/09/731200809.db2.gz GLEBWYCNFYLNBZ-WFASDCNBSA-N -1 1 354.244 2.588 20 30 FFEDMM CCC1N=NC(=S)N1N=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872329007 731751484 /nfs/dbraw/zinc/75/14/84/731751484.db2.gz FJGNQDILLLWXJU-UHFFFAOYSA-N -1 1 354.461 2.815 20 30 FFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NNCCCn2ccnc2)cs1 ZINC000872387992 731759690 /nfs/dbraw/zinc/75/96/90/731759690.db2.gz WHDVTPPIKSRVPE-UHFFFAOYSA-N -1 1 350.448 2.700 20 30 FFEDMM C=CCOCCC[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882398691 733220964 /nfs/dbraw/zinc/22/09/64/733220964.db2.gz GRLPVZSMRJGYAK-UHFFFAOYSA-N -1 1 358.769 2.625 20 30 FFEDMM C#CCC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000717900149 734375344 /nfs/dbraw/zinc/37/53/44/734375344.db2.gz QSRPQHKZQJNTBV-VIFPVBQESA-N -1 1 356.658 2.699 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362769 734633751 /nfs/dbraw/zinc/63/37/51/734633751.db2.gz VIVPZGIDMKMEDC-HNNXBMFYSA-N -1 1 359.209 2.910 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(N2CCOC2=O)c1 ZINC000740811277 735089404 /nfs/dbraw/zinc/08/94/04/735089404.db2.gz YXFWUZLSWPPYPY-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1nccn1CC(F)(F)F ZINC000900544888 735659101 /nfs/dbraw/zinc/65/91/01/735659101.db2.gz ZYVQQVNHDAJTJH-UHFFFAOYSA-N -1 1 358.270 2.725 20 30 FFEDMM C=CCOc1c(Cl)cc(CN2CC[C@@](OC)(C(=O)[O-])C2)cc1OC ZINC000901542714 735793197 /nfs/dbraw/zinc/79/31/97/735793197.db2.gz RVXVBSILTRFFFL-KRWDZBQOSA-N -1 1 355.818 2.589 20 30 FFEDMM C[C@@H]1Cc2ccccc2C1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000751132725 735847974 /nfs/dbraw/zinc/84/79/74/735847974.db2.gz IFNTYRCZIFGTDI-GFCCVEGCSA-N -1 1 359.407 2.611 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751731875 735912513 /nfs/dbraw/zinc/91/25/13/735912513.db2.gz PGFZTXMJZUYWHC-ABKXIKBNSA-N -1 1 356.781 2.784 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000756890125 736370304 /nfs/dbraw/zinc/37/03/04/736370304.db2.gz HRTHUDXQFNWGCY-ZWNOBZJWSA-N -1 1 365.817 2.534 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cccc(Cl)c1F ZINC000759666909 736584885 /nfs/dbraw/zinc/58/48/85/736584885.db2.gz QWHFVXPDNIKISC-UHFFFAOYSA-N -1 1 357.750 2.700 20 30 FFEDMM O=c1nc(NN=C2CCCc3c(Cl)sc(Cl)c32)nc2[nH][n-]cc1-2 ZINC000760254126 736624806 /nfs/dbraw/zinc/62/48/06/736624806.db2.gz ZYFCAZJPGVBFDD-UHFFFAOYSA-N -1 1 369.237 2.953 20 30 FFEDMM CCCCCCCC[C@@H](C)CC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907944795 736692433 /nfs/dbraw/zinc/69/24/33/736692433.db2.gz XYBILEIHROTNBF-OAHLLOKOSA-N -1 1 351.495 2.787 20 30 FFEDMM C=CCN(CC(=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000908755784 736828351 /nfs/dbraw/zinc/82/83/51/736828351.db2.gz ZZIPMAIDCIURML-MRXNPFEDSA-N -1 1 365.861 2.759 20 30 FFEDMM O=c1nc(NN=C2CCCc3c4ccccc4sc32)nc2[nH][n-]cc1-2 ZINC000763177256 736910386 /nfs/dbraw/zinc/91/03/86/736910386.db2.gz XKABWXJGQYEWDY-UHFFFAOYSA-N -1 1 350.407 2.799 20 30 FFEDMM COc1ccc2oc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)cc2c1 ZINC000763353777 736930195 /nfs/dbraw/zinc/93/01/95/736930195.db2.gz GWAUEMSGAPVTHS-UHFFFAOYSA-N -1 1 355.375 2.514 20 30 FFEDMM COc1cc(C(C)N=Nc2cc(Cl)nc(C)n2)cc([N+](=O)[O-])c1[O-] ZINC000764689717 737041552 /nfs/dbraw/zinc/04/15/52/737041552.db2.gz GYOYJQCFPQWFLK-UHFFFAOYSA-N -1 1 351.750 2.897 20 30 FFEDMM C#CCCN(CC(F)(F)F)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000767207694 737301474 /nfs/dbraw/zinc/30/14/74/737301474.db2.gz BFXCFAKISUDAEF-UHFFFAOYSA-N -1 1 361.389 2.559 20 30 FFEDMM CCCOc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000914600749 737586258 /nfs/dbraw/zinc/58/62/58/737586258.db2.gz WXBSAIYSUZCIPZ-UHFFFAOYSA-N -1 1 357.435 2.938 20 30 FFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916004947 737670427 /nfs/dbraw/zinc/67/04/27/737670427.db2.gz YTYTULXSUPYNDN-IPQOISQHSA-N -1 1 368.402 2.670 20 30 FFEDMM COc1c([O-])c(C=NNC(=S)Nc2ccccc2C)ccc1[N+](=O)[O-] ZINC000773006949 737862947 /nfs/dbraw/zinc/86/29/47/737862947.db2.gz YAIMRYPZCLUACG-UHFFFAOYSA-N -1 1 360.395 2.938 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1CC ZINC000775296094 738080743 /nfs/dbraw/zinc/08/07/43/738080743.db2.gz RHDWASNTAHMDND-UHFFFAOYSA-N -1 1 359.403 2.760 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000775298276 738081596 /nfs/dbraw/zinc/08/15/96/738081596.db2.gz NYNXXRNHSOJIJX-UHFFFAOYSA-N -1 1 359.403 2.760 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000775374635 738088516 /nfs/dbraw/zinc/08/85/16/738088516.db2.gz GDTVHBJTNYEGJQ-ZDUSSCGKSA-N -1 1 360.410 2.686 20 30 FFEDMM C[C@@H](CN=Nc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(C(F)(F)F)cc1 ZINC000789018613 739308674 /nfs/dbraw/zinc/30/86/74/739308674.db2.gz XVBMKYYVNIFMOG-QMMMGPOBSA-N -1 1 350.304 2.652 20 30 FFEDMM C=C(C)CS(=O)(=O)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000790014195 739406723 /nfs/dbraw/zinc/40/67/23/739406723.db2.gz MYFIXIRHRZGOTO-UHFFFAOYSA-N -1 1 367.448 2.772 20 30 FFEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000793429497 739780732 /nfs/dbraw/zinc/78/07/32/739780732.db2.gz IDRBEUKTQLWYRC-UHFFFAOYSA-N -1 1 363.370 2.985 20 30 FFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1F ZINC000794595644 739908746 /nfs/dbraw/zinc/90/87/46/739908746.db2.gz HPVNCFVAZUIYFV-UHFFFAOYSA-N -1 1 363.370 2.871 20 30 FFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000795956924 740085106 /nfs/dbraw/zinc/08/51/06/740085106.db2.gz YTVOLBQJONBHFZ-SNVBAGLBSA-N -1 1 364.250 2.860 20 30 FFEDMM C#C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1F ZINC000796602037 740159960 /nfs/dbraw/zinc/15/99/60/740159960.db2.gz XAHMFYNGJMCHGG-AWEZNQCLSA-N -1 1 355.756 2.820 20 30 FFEDMM C#C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)C ZINC000799042504 740383447 /nfs/dbraw/zinc/38/34/47/740383447.db2.gz FALAIWHOAIAVTQ-SFHVURJKSA-N -1 1 356.447 2.875 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC2(CC#N)CC2)c(F)cc1Cl ZINC000841515885 747379320 /nfs/dbraw/zinc/37/93/20/747379320.db2.gz AHNQDOMEMRBVBD-UHFFFAOYSA-N -1 1 374.821 2.628 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CCC2)c(F)cc1Cl ZINC000841572508 747409562 /nfs/dbraw/zinc/40/95/62/747409562.db2.gz OWNGECRAIJIKSN-UHFFFAOYSA-N -1 1 374.821 2.628 20 30 FFEDMM C#Cc1cccc(NC(=S)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000848654190 748977176 /nfs/dbraw/zinc/97/71/76/748977176.db2.gz QOAGOINIHOFMNT-BXUZGUMPSA-N -1 1 369.412 2.896 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000849450568 749158398 /nfs/dbraw/zinc/15/83/98/749158398.db2.gz KGZGEWXZTOUJFM-UHFFFAOYSA-N -1 1 360.819 2.652 20 30 FFEDMM C=C(C)CN(CC)S(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001573294046 946976040 /nfs/dbraw/zinc/97/60/40/946976040.db2.gz SBRHJYFURXNLJL-UHFFFAOYSA-N -1 1 363.468 2.668 20 30 FFEDMM C=CC[C@@H](CC)NS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001573320125 947345085 /nfs/dbraw/zinc/34/50/85/947345085.db2.gz UORUZBSMBZRQAM-SNVBAGLBSA-N -1 1 363.468 2.714 20 30 FFEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CCC(=O)[O-])c1C#N ZINC001594253286 959631183 /nfs/dbraw/zinc/63/11/83/959631183.db2.gz VKAXDDWSLMRMMG-UHFFFAOYSA-N -1 1 360.458 2.827 20 30 FFEDMM CN1CCc2c(C#N)c(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)sc2C1 ZINC001176673219 1013748909 /nfs/dbraw/zinc/74/89/09/1013748909.db2.gz URMNTYWYANWGEZ-UHFFFAOYSA-N -1 1 358.379 2.958 20 30 FFEDMM C#CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc2sccc2c1[O-] ZINC001271026529 967975797 /nfs/dbraw/zinc/97/57/97/967975797.db2.gz MMESOVHKIUAYKH-HXUWFJFHSA-N -1 1 368.458 2.837 20 30 FFEDMM N#Cc1ccc2ncc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)nc2c1 ZINC001167932979 978158618 /nfs/dbraw/zinc/15/86/18/978158618.db2.gz CCHAFGTZUIUGKA-UHFFFAOYSA-N -1 1 366.317 2.586 20 30 FFEDMM CC[C@@H](c1ccccc1)N1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001595363341 980780997 /nfs/dbraw/zinc/78/09/97/980780997.db2.gz FNAOXNOJMMLKSN-SFHVURJKSA-N -1 1 350.422 2.925 20 30 FFEDMM O=C([O-])[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000908706921 981507670 /nfs/dbraw/zinc/50/76/70/981507670.db2.gz BFKQJUWNKIWYSF-IBGZPJMESA-N -1 1 362.429 2.822 20 30 FFEDMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000908706921 981507674 /nfs/dbraw/zinc/50/76/74/981507674.db2.gz BFKQJUWNKIWYSF-IBGZPJMESA-N -1 1 362.429 2.822 20 30 FFEDMM C=C(C)C[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000908775001 981520156 /nfs/dbraw/zinc/52/01/56/981520156.db2.gz ALMQYKQERAIPDU-QGZVFWFLSA-N -1 1 363.433 2.509 20 30 FFEDMM C=CCC[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000908776660 981520899 /nfs/dbraw/zinc/52/08/99/981520899.db2.gz RLMVUSAODXDDBW-KRWDZBQOSA-N -1 1 363.433 2.509 20 30 FFEDMM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC001212140297 982004630 /nfs/dbraw/zinc/00/46/30/982004630.db2.gz BFSDJDYIMRQZQJ-GFCCVEGCSA-N -1 1 359.373 2.894 20 30 FFEDMM O=C([O-])c1ccc2c(C=NN3C(=S)N=NC3c3ccccc3)n[nH]c2c1 ZINC000765555639 985186977 /nfs/dbraw/zinc/18/69/77/985186977.db2.gz JONGKJICWSUEDG-UHFFFAOYSA-N -1 1 364.390 2.691 20 30 FFEDMM CC(CSc1ccccc1[N+](=O)[O-])=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000765575669 985204181 /nfs/dbraw/zinc/20/41/81/985204181.db2.gz GXMNYWLYJJRXEB-UHFFFAOYSA-N -1 1 373.398 2.557 20 30 FFEDMM CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001594725484 987231752 /nfs/dbraw/zinc/23/17/52/987231752.db2.gz XTXQMKYBTOSSBV-ZBFHGGJFSA-N -1 1 354.410 2.887 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCCCCc2nc(C3CCC3)no2)c2ccccc21 ZINC000761642493 987653172 /nfs/dbraw/zinc/65/31/72/987653172.db2.gz LTOAZXUNRSMSMK-UHFFFAOYSA-N -1 1 374.466 2.789 20 30 FFEDMM CCCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000914600344 987813363 /nfs/dbraw/zinc/81/33/63/987813363.db2.gz RSQVPTAKEWBRRI-UHFFFAOYSA-N -1 1 372.406 2.838 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OCc2cccnc2)c(=O)o1 ZINC000915981832 989720346 /nfs/dbraw/zinc/72/03/46/989720346.db2.gz ZFEGBCIAWXNCAY-GWQNQTGSSA-N -1 1 363.369 2.889 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000916241459 989762589 /nfs/dbraw/zinc/76/25/89/989762589.db2.gz CMKLNHGISKQYFU-UHFFFAOYSA-N -1 1 356.386 2.835 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1OC ZINC000916934831 990035688 /nfs/dbraw/zinc/03/56/88/990035688.db2.gz ZCZQRKDJFGPYRL-LBPRGKRZSA-N -1 1 372.402 2.929 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1cccc2ccccc21 ZINC000921386339 991068512 /nfs/dbraw/zinc/06/85/12/991068512.db2.gz MCZMHGDDIOSBDJ-QGZVFWFLSA-N -1 1 372.446 2.667 20 30 FFEDMM CSc1nc(C)c(CCC(=O)OC[C@H](C#N)Cc2ccccc2)c(=O)[n-]1 ZINC000175390324 991197975 /nfs/dbraw/zinc/19/79/75/991197975.db2.gz TXYVDMXWEJCYFF-HNNXBMFYSA-N -1 1 371.462 2.659 20 30 FFEDMM CN=c1scc(-c2ccc(OC)c3c([O-])coc32)n1N=Cc1ccoc1 ZINC000811627526 995196775 /nfs/dbraw/zinc/19/67/75/995196775.db2.gz DDKZTZHCENLCLE-UHFFFAOYSA-N -1 1 369.402 2.806 20 30 FFEDMM Cc1cc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c(C)n1C1CCCCC1 ZINC000731154679 997716893 /nfs/dbraw/zinc/71/68/93/997716893.db2.gz XXIVICMPCJLOLT-UHFFFAOYSA-N -1 1 353.430 2.802 20 30 FFEDMM COCCN(Cc1ccc(C#N)cc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001599237757 997976245 /nfs/dbraw/zinc/97/62/45/997976245.db2.gz DNIGPXKUQPCUAG-UHFFFAOYSA-N -1 1 354.406 2.670 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000731545503 998018012 /nfs/dbraw/zinc/01/80/12/998018012.db2.gz AKICLRDLPXBWHT-HNNXBMFYSA-N -1 1 357.297 2.704 20 30 FFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-]CC(=O)Nc1ccc(F)c(F)c1 ZINC001144244052 998192024 /nfs/dbraw/zinc/19/20/24/998192024.db2.gz RSEILFHYTHGSLJ-UHFFFAOYSA-N -1 1 365.286 2.683 20 30 FFEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1-c1ccccn1 ZINC000677568152 1016236138 /nfs/dbraw/zinc/23/61/38/1016236138.db2.gz ROARIFDMWCQRRL-CYBMUJFWSA-N -1 1 357.377 2.646 20 30 FFEDMM CC[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cccc(C#N)c1[O-] ZINC000822658615 998909358 /nfs/dbraw/zinc/90/93/58/998909358.db2.gz BGSUUBWQFWKWFP-IBGZPJMESA-N -1 1 364.449 2.759 20 30 FFEDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cc(F)cc(C#N)c1 ZINC000803926095 1016298853 /nfs/dbraw/zinc/29/88/53/1016298853.db2.gz MPKDEPZGGASPBW-UHFFFAOYSA-N -1 1 357.337 2.812 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1N1CCOC1=O ZINC000766547232 1000011707 /nfs/dbraw/zinc/01/17/07/1000011707.db2.gz IPAHHFVYNCRJBU-UHFFFAOYSA-N -1 1 371.418 2.933 20 30 FFEDMM C=CCOC(=O)N1CCC2(CN(Cc3cc(F)c([O-])cc3F)C2)CC1 ZINC001144646702 1000188395 /nfs/dbraw/zinc/18/83/95/1000188395.db2.gz HRFOBMLKTSDERJ-UHFFFAOYSA-N -1 1 352.381 2.891 20 30 FFEDMM CCCOc1ccc2[nH]cc(CN=Nc3nc4c(cnn4C)c(=O)[n-]3)c2c1 ZINC000768360808 1000228985 /nfs/dbraw/zinc/22/89/85/1000228985.db2.gz AOJCTMFUVXMFPR-UHFFFAOYSA-N -1 1 365.397 2.785 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cnn(CC#N)c2)c([O-])c1 ZINC000769737391 1000595270 /nfs/dbraw/zinc/59/52/70/1000595270.db2.gz FFNXMTFRYWVJHG-UHFFFAOYSA-N -1 1 357.370 2.712 20 30 FFEDMM Cc1ncc(CO)c(C(=O)N2CCC(Cc3ccc(C#N)cc3)CC2)c1[O-] ZINC001147837612 1000986712 /nfs/dbraw/zinc/98/67/12/1000986712.db2.gz AJRIAFCAEPHDQE-UHFFFAOYSA-N -1 1 365.433 2.555 20 30 FFEDMM CN(C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1)C(=O)OC(C)(C)C ZINC000785585385 1001454680 /nfs/dbraw/zinc/45/46/80/1001454680.db2.gz JLARYXJBCFNGHZ-ZDUSSCGKSA-N -1 1 359.426 2.593 20 30 FFEDMM C[C@H]1[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC000785625535 1001463831 /nfs/dbraw/zinc/46/38/31/1001463831.db2.gz QNAXVINBHQXOHU-STQMWFEESA-N -1 1 359.426 2.734 20 30 FFEDMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785628126 1001464369 /nfs/dbraw/zinc/46/43/69/1001464369.db2.gz HWQDNDFWQSSZPK-IUODEOHRSA-N -1 1 359.426 2.639 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc2c(c1)CCC(=O)N2C ZINC000774392935 1001892627 /nfs/dbraw/zinc/89/26/27/1001892627.db2.gz GDNJGFQYPDXRAN-UHFFFAOYSA-N -1 1 353.378 2.748 20 30 FFEDMM CCCC#CC(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001184268595 1002547166 /nfs/dbraw/zinc/54/71/66/1002547166.db2.gz COGTXDYTCHNHNT-UHFFFAOYSA-N -1 1 365.752 2.544 20 30 FFEDMM C#C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(Br)s1 ZINC001184626565 1002665676 /nfs/dbraw/zinc/66/56/76/1002665676.db2.gz LVXUIJRDCYOSLD-RXMQYKEDSA-N -1 1 373.091 2.573 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(C(=O)N(C)C)cc1 ZINC000793033517 1003259871 /nfs/dbraw/zinc/25/98/71/1003259871.db2.gz CDWUJYKXHUSPLY-UHFFFAOYSA-N -1 1 355.394 2.931 20 30 FFEDMM N#C[C@H]([N-]S(=O)(=O)c1c(Cl)nc2sccn21)c1ccc(F)cc1 ZINC001187159303 1003572591 /nfs/dbraw/zinc/57/25/91/1003572591.db2.gz VBFKAANSXONRAN-JTQLQIEISA-N -1 1 370.818 2.731 20 30 FFEDMM Cc1cc([O-])c(C(=O)N2CCC[C@H](C#N)C2)cc1I ZINC001196132486 1003674544 /nfs/dbraw/zinc/67/45/44/1003674544.db2.gz OHDVNEAYWRRFEY-SNVBAGLBSA-N -1 1 370.190 2.681 20 30 FFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]CC(F)(F)c1ccccn1 ZINC001196703421 1003920633 /nfs/dbraw/zinc/92/06/33/1003920633.db2.gz CHIUYKCSNXPNDW-UHFFFAOYSA-N -1 1 357.769 2.677 20 30 FFEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1F ZINC001196690805 1003935292 /nfs/dbraw/zinc/93/52/92/1003935292.db2.gz WWTMRGIDGAOXKF-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM COC(=O)c1scnc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)on1 ZINC001196760111 1003937011 /nfs/dbraw/zinc/93/70/11/1003937011.db2.gz UGKXFAIDTDDORC-UHFFFAOYSA-N -1 1 354.347 2.709 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2cccc(/C=C/C(=O)OC)c2)cc1F ZINC001197115288 1004091007 /nfs/dbraw/zinc/09/10/07/1004091007.db2.gz MLJPABOXWFCDDT-JXMROGBWSA-N -1 1 359.378 2.794 20 30 FFEDMM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnc(C)c(C#N)c2)c(C)c1[O-] ZINC001192294773 1004119393 /nfs/dbraw/zinc/11/93/93/1004119393.db2.gz XWRIWVKIMRACFN-UHFFFAOYSA-N -1 1 364.361 2.576 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)ccc1Br ZINC001197311123 1004156401 /nfs/dbraw/zinc/15/64/01/1004156401.db2.gz WMKDNOQTCDFZEX-UHFFFAOYSA-N -1 1 371.187 2.966 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2F)ccc1Br ZINC001197310917 1004157243 /nfs/dbraw/zinc/15/72/43/1004157243.db2.gz OUSMTZGDSJXTBK-UHFFFAOYSA-N -1 1 371.187 2.966 20 30 FFEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cccnc2)c(F)c1 ZINC001197456940 1004240437 /nfs/dbraw/zinc/24/04/37/1004240437.db2.gz BFVHPBDWKXUWRN-UHFFFAOYSA-N -1 1 350.371 2.505 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OCC ZINC001193574133 1004515218 /nfs/dbraw/zinc/51/52/18/1004515218.db2.gz PRJMSMYCCFZGLM-MRVPVSSYSA-N -1 1 358.268 2.754 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)OC ZINC001193580088 1004516285 /nfs/dbraw/zinc/51/62/85/1004516285.db2.gz AIMUUMJUQFRDGD-LLVKDONJSA-N -1 1 370.229 2.919 20 30 FFEDMM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001198544560 1004667373 /nfs/dbraw/zinc/66/73/73/1004667373.db2.gz BXYSUHMYZZLBHF-LLVKDONJSA-N -1 1 366.668 2.714 20 30 FFEDMM Cc1nn(CC2CCOCC2)c(C)c1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001198655064 1004693069 /nfs/dbraw/zinc/69/30/69/1004693069.db2.gz JIVKSKWYIPZWPM-UHFFFAOYSA-N -1 1 354.410 2.756 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Br)c(Cl)cc2F)CC1 ZINC001195443075 1004960869 /nfs/dbraw/zinc/96/08/69/1004960869.db2.gz GMBSRVQQQCZWNN-UHFFFAOYSA-N -1 1 367.627 2.824 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(C)(C)C(=O)NC3)cc1C#N ZINC001201321970 1005199368 /nfs/dbraw/zinc/19/93/68/1005199368.db2.gz AQSFMQAJRYDLLT-UHFFFAOYSA-N -1 1 369.446 2.575 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(C)(C)CNC3=O)cc1C#N ZINC001201324246 1005200520 /nfs/dbraw/zinc/20/05/20/1005200520.db2.gz YCLDCKKDBFOPAY-UHFFFAOYSA-N -1 1 369.446 2.689 20 30 FFEDMM COc1ccccc1CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)C(C)C ZINC000748251197 1016973805 /nfs/dbraw/zinc/97/38/05/1016973805.db2.gz UCQZDEFDJBLAPU-UHFFFAOYSA-N -1 1 371.462 2.988 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1NC(C)=O ZINC001116189462 1032181183 /nfs/dbraw/zinc/18/11/83/1032181183.db2.gz PNRAEWMDOMBFSI-UHFFFAOYSA-N -1 1 359.407 2.520 20 30 FFEDMM 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CC[N@H+]1CC[C@H](Oc2c(C#N)c(C#N)c([O-])c3cccc([N+](=O)[O-])c32)C1 ZINC001231228508 1037504829 /nfs/dbraw/zinc/50/48/29/1037504829.db2.gz RWTRIHGBWQQDRW-NSHDSACASA-N -1 1 352.350 2.670 20 30 FFEDMM O=C1c2ccccc2C(=O)C([N-]S(=O)(=O)c2ccccc2F)=C1Cl ZINC001255522110 1037986914 /nfs/dbraw/zinc/98/69/14/1037986914.db2.gz RVOIPYJGPAIHES-UHFFFAOYSA-N -1 1 365.769 2.634 20 30 FFEDMM N#Cc1c([O-])csc1NC(=S)Nc1ccc(N2CCOCC2)cc1 ZINC001247192047 1039651175 /nfs/dbraw/zinc/65/11/75/1039651175.db2.gz XRLBZMMCJPFFEK-UHFFFAOYSA-N -1 1 360.464 2.971 20 30 FFEDMM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)ccc2C(=O)N1 ZINC001259419521 1039990319 /nfs/dbraw/zinc/99/03/19/1039990319.db2.gz DHSJFHCNUMSGQT-UHFFFAOYSA-N -1 1 373.409 2.563 20 30 FFEDMM C=CCS(=O)(=O)[N-]c1c2cc(OC)c(OC)cc2sc1C(=O)OC ZINC001259923323 1040300039 /nfs/dbraw/zinc/30/00/39/1040300039.db2.gz CZIUFENVCRYVJM-UHFFFAOYSA-N -1 1 371.436 2.633 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)[N-]c2ncccc2N2CCCCC2)cc1 ZINC001260039275 1040371247 /nfs/dbraw/zinc/37/12/47/1040371247.db2.gz WJHYYEFFVPLAFG-UHFFFAOYSA-N -1 1 356.451 2.885 20 30 FFEDMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cccc(SCC#N)c2)[n-]1 ZINC001537896885 1070285659 /nfs/dbraw/zinc/28/56/59/1070285659.db2.gz HJUIFQHAGDSAEN-UHFFFAOYSA-N -1 1 357.391 2.872 20 30 FFEDMM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CC#Cc1ccccc1 ZINC001261064197 1040968560 /nfs/dbraw/zinc/96/85/60/1040968560.db2.gz SNQMLXKHCFHHLV-UHFFFAOYSA-N -1 1 369.851 2.518 20 30 FFEDMM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC ZINC001261065493 1040968794 /nfs/dbraw/zinc/96/87/94/1040968794.db2.gz SRMYYNKGMKNDHW-GFCCVEGCSA-N -1 1 350.849 2.549 20 30 FFEDMM C=C(C)Cn1c(CCC)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001263309696 1042234322 /nfs/dbraw/zinc/23/43/22/1042234322.db2.gz RBOJLDYMQRUTRI-ZDUSSCGKSA-N -1 1 358.446 2.652 20 30 FFEDMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318965793 1044961759 /nfs/dbraw/zinc/96/17/59/1044961759.db2.gz KYGDDXWTELKEFX-HSZRJFAPSA-N -1 1 362.476 2.740 20 30 FFEDMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC001539378930 1070627097 /nfs/dbraw/zinc/62/70/97/1070627097.db2.gz HCDNVUSDLJNNIE-IBGZPJMESA-N -1 1 363.417 2.536 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCc2ccccc2C(F)(F)F)c2ccccc21 ZINC001317950132 1045178701 /nfs/dbraw/zinc/17/87/01/1045178701.db2.gz FYBBAIAJBBHZFO-UHFFFAOYSA-N -1 1 354.353 2.987 20 30 FFEDMM Cc1cc2occ(C(=O)N=C3[N-]S(=O)(=O)c4ccccc43)c2cc1C ZINC001324066174 1045849731 /nfs/dbraw/zinc/84/97/31/1045849731.db2.gz HAQUMLZTFHOABC-UHFFFAOYSA-N -1 1 354.387 2.929 20 30 FFEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001322051900 1045935363 /nfs/dbraw/zinc/93/53/63/1045935363.db2.gz NJNNNAVGDFAINK-NSHDSACASA-N -1 1 367.265 2.512 20 30 FFEDMM N#Cc1ccc(NCCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)nc1 ZINC001290718153 1048341704 /nfs/dbraw/zinc/34/17/04/1048341704.db2.gz MFNZQQIFJBUEJQ-UHFFFAOYSA-N -1 1 350.300 2.520 20 30 FFEDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001330732911 1049300176 /nfs/dbraw/zinc/30/01/76/1049300176.db2.gz YINHJCCJDQITRN-UHFFFAOYSA-N -1 1 357.435 2.693 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@]2(CCSC2)C1 ZINC001340733782 1051092216 /nfs/dbraw/zinc/09/22/16/1051092216.db2.gz TVDVQERZOYOKJA-HNNXBMFYSA-N -1 1 365.894 2.626 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001342533587 1051136976 /nfs/dbraw/zinc/13/69/76/1051136976.db2.gz VHSIYMJOFMSQGX-NSHDSACASA-N -1 1 359.821 2.880 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)CC#Cc2cccnc2)c1 ZINC001345044111 1052218337 /nfs/dbraw/zinc/21/83/37/1052218337.db2.gz APPHAZOLRCPCJK-ODCWNRFASA-N -1 1 357.431 2.571 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1F)C(C)C ZINC001309453190 1052621917 /nfs/dbraw/zinc/62/19/17/1052621917.db2.gz SIZYDMHQVARJSN-VIFPVBQESA-N -1 1 352.200 2.663 20 30 FFEDMM C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001356328432 1055455530 /nfs/dbraw/zinc/45/55/30/1055455530.db2.gz GENCCZZVNCAEBU-OZVIIMIRSA-N -1 1 371.407 2.625 20 30 FFEDMM N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2nn[n-]n2)cc1F ZINC001544843003 1071701427 /nfs/dbraw/zinc/70/14/27/1071701427.db2.gz BXERURSLHKZWQA-UHFFFAOYSA-N -1 1 366.356 2.964 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCCC(F)(F)CC1 ZINC001515030953 1059241336 /nfs/dbraw/zinc/24/13/36/1059241336.db2.gz GMMYHXOUWQADQI-UHFFFAOYSA-N -1 1 357.796 2.918 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1C[C@H]2COC[C@]2(C)C1 ZINC001520541491 1059780149 /nfs/dbraw/zinc/78/01/49/1059780149.db2.gz OSSQLNQDHHSSQD-SGTLLEGYSA-N -1 1 360.845 2.963 20 30 FFEDMM CC#CC[C@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC001515852000 1059842642 /nfs/dbraw/zinc/84/26/42/1059842642.db2.gz MWDHIUWVXASPFH-MRXNPFEDSA-N -1 1 374.462 2.682 20 30 FFEDMM C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001522364450 1062028802 /nfs/dbraw/zinc/02/88/02/1062028802.db2.gz AEOVHLRVDDEILU-XOBRGWDASA-N -1 1 357.454 2.500 20 30 FFEDMM C=CCCCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001522400384 1062115486 /nfs/dbraw/zinc/11/54/86/1062115486.db2.gz AYXZNFCTASFXAT-YWZLYKJASA-N -1 1 357.454 2.502 20 30 FFEDMM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1F ZINC001464008975 1062378841 /nfs/dbraw/zinc/37/88/41/1062378841.db2.gz PHCVKFAGIJTKRS-QLJPJBMISA-N -1 1 368.817 2.751 20 30 FFEDMM N#C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1Br ZINC001557629915 1075868162 /nfs/dbraw/zinc/86/81/62/1075868162.db2.gz DZLDDJZHBWJRIJ-CQSZACIVSA-N -1 1 359.179 2.718 20 30 FFEDMM C=C[C@@](C)(CCOC)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001557811008 1075894601 /nfs/dbraw/zinc/89/46/01/1075894601.db2.gz WFYZWFYNJJRLTH-IBGZPJMESA-N -1 1 366.889 2.919 20 30 FFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001561584817 1076395253 /nfs/dbraw/zinc/39/52/53/1076395253.db2.gz OWXCTOPWWYVKIP-GFCCVEGCSA-N -1 1 352.200 2.808 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2OC(F)F)o1 ZINC001561837584 1076431559 /nfs/dbraw/zinc/43/15/59/1076431559.db2.gz UEJSNFNRUODJLI-UHFFFAOYSA-N -1 1 362.741 2.885 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001565899416 1076788253 /nfs/dbraw/zinc/78/82/53/1076788253.db2.gz HHOOOFDPIOVISW-LSDHHAIUSA-N -1 1 352.350 2.607 20 30 FFEDMM C=C(C)CCC(=O)N[C@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588415335 1080019264 /nfs/dbraw/zinc/01/92/64/1080019264.db2.gz IXDDAJHBKBKYPH-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=C(C)CCC(=O)N[C@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588415335 1080019273 /nfs/dbraw/zinc/01/92/73/1080019273.db2.gz IXDDAJHBKBKYPH-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C#CC[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001588434615 1080027275 /nfs/dbraw/zinc/02/72/75/1080027275.db2.gz OUONPBAEWSGVHD-CYBMUJFWSA-N -1 1 360.479 2.999 20 30 FFEDMM C=CCC1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCCCC1 ZINC001588556917 1080094418 /nfs/dbraw/zinc/09/44/18/1080094418.db2.gz GMVANMMEELBBNT-UHFFFAOYSA-N -1 1 365.434 2.563 20 30 FFEDMM C=CCOCCCC(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001588682962 1080152411 /nfs/dbraw/zinc/15/24/11/1080152411.db2.gz VFEMCBPNBUGGTE-UHFFFAOYSA-N -1 1 371.319 2.687 20 30 FFEDMM C=CCOc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC001588690228 1080157602 /nfs/dbraw/zinc/15/76/02/1080157602.db2.gz XAEBPEMXXPTKOO-UHFFFAOYSA-N -1 1 352.354 2.952 20 30 FFEDMM C=CCOc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC001588690228 1080157607 /nfs/dbraw/zinc/15/76/07/1080157607.db2.gz XAEBPEMXXPTKOO-UHFFFAOYSA-N -1 1 352.354 2.952 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@](C)(CCF)C(=O)[O-] ZINC001589332042 1080486051 /nfs/dbraw/zinc/48/60/51/1080486051.db2.gz WGZDDTCBGCSOJH-SJKOYZFVSA-N -1 1 367.446 2.669 20 30 FFEDMM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589448957 1080540290 /nfs/dbraw/zinc/54/02/90/1080540290.db2.gz XGSHAMWPNWEFLT-ZKTNFTSUSA-N -1 1 373.478 2.622 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(C(C)(C)C)nc2)o1 ZINC001589664530 1080657076 /nfs/dbraw/zinc/65/70/76/1080657076.db2.gz KRWHWAVBAMDZKN-UHFFFAOYSA-N -1 1 369.433 2.587 20 30 FFEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(-c2ccncc2)cc1 ZINC001589986369 1080923490 /nfs/dbraw/zinc/92/34/90/1080923490.db2.gz GJZXSJJZOGAKQM-LBPRGKRZSA-N -1 1 369.392 2.763 20 30 FFEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(-c2ccncc2)cc1 ZINC001589986369 1080923493 /nfs/dbraw/zinc/92/34/93/1080923493.db2.gz GJZXSJJZOGAKQM-LBPRGKRZSA-N -1 1 369.392 2.763 20 30 FFEDMM N#Cc1cc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1F ZINC000289619575 257290347 /nfs/dbraw/zinc/29/03/47/257290347.db2.gz OSRFOOBQQFTVOO-JTQLQIEISA-N -1 1 372.322 2.620 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c1 ZINC000032592777 506267793 /nfs/dbraw/zinc/26/77/93/506267793.db2.gz OVSLGFZUQQQENT-UHFFFAOYSA-N -1 1 352.375 2.941 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1 ZINC000055555161 506776031 /nfs/dbraw/zinc/77/60/31/506776031.db2.gz SUIYVZNXZSSUMX-UHFFFAOYSA-N -1 1 358.419 2.606 20 30 FFEDMM COc1ccc(CCCCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000067157720 506778220 /nfs/dbraw/zinc/77/82/20/506778220.db2.gz ASOZUSNXFNZRFD-UHFFFAOYSA-N -1 1 366.443 2.608 20 30 FFEDMM COc1ccc(CCCCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000067157720 506778225 /nfs/dbraw/zinc/77/82/25/506778225.db2.gz ASOZUSNXFNZRFD-UHFFFAOYSA-N -1 1 366.443 2.608 20 30 FFEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055622847 506801975 /nfs/dbraw/zinc/80/19/75/506801975.db2.gz GHRXHYAFAXSFNA-UHFFFAOYSA-N -1 1 363.826 2.762 20 30 FFEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000055633252 506806680 /nfs/dbraw/zinc/80/66/80/506806680.db2.gz UKOMBSSFWVZOBT-UHFFFAOYSA-N -1 1 360.435 2.912 20 30 FFEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000057121371 507176040 /nfs/dbraw/zinc/17/60/40/507176040.db2.gz JXEYUPATDNSWRC-CYBMUJFWSA-N -1 1 357.435 2.887 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CC#N)cc1 ZINC000064318356 507790143 /nfs/dbraw/zinc/79/01/43/507790143.db2.gz BAKMHRNTOUOBDJ-AWEZNQCLSA-N -1 1 357.435 2.828 20 30 FFEDMM Cc1c2cccc(Cl)c2oc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000064347991 507791721 /nfs/dbraw/zinc/79/17/21/507791721.db2.gz AKLSUYIQFLJCSS-UHFFFAOYSA-N -1 1 354.775 2.553 20 30 FFEDMM Cc1c2cccc(Cl)c2oc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000064347991 507791718 /nfs/dbraw/zinc/79/17/18/507791718.db2.gz AKLSUYIQFLJCSS-UHFFFAOYSA-N -1 1 354.775 2.553 20 30 FFEDMM C[C@@H](CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)Cc1ccc(Cl)cc1 ZINC000089438569 507838025 /nfs/dbraw/zinc/83/80/25/507838025.db2.gz SKPIMJPXWHVAEJ-SECBINFHSA-N -1 1 356.835 2.719 20 30 FFEDMM C[C@@H](CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)Cc1ccc(Cl)cc1 ZINC000089438569 507838026 /nfs/dbraw/zinc/83/80/26/507838026.db2.gz SKPIMJPXWHVAEJ-SECBINFHSA-N -1 1 356.835 2.719 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C(=O)N(C)C ZINC000080942234 508115677 /nfs/dbraw/zinc/11/56/77/508115677.db2.gz QPKALRIGQYODSL-UHFFFAOYSA-N -1 1 357.435 2.678 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COCC)c2)c1 ZINC000102320408 508271739 /nfs/dbraw/zinc/27/17/39/508271739.db2.gz FAABLVZYIDTQPE-UHFFFAOYSA-N -1 1 374.462 2.940 20 30 FFEDMM Cc1csc(NC(=O)[C@@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)n1 ZINC000121956251 508456459 /nfs/dbraw/zinc/45/64/59/508456459.db2.gz QMZGVZDGUYEJDV-VIFPVBQESA-N -1 1 359.436 2.612 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000153190999 508556886 /nfs/dbraw/zinc/55/68/86/508556886.db2.gz NPUKYGNWSOOSIE-UHFFFAOYSA-N -1 1 369.362 2.657 20 30 FFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000157539133 508578932 /nfs/dbraw/zinc/57/89/32/508578932.db2.gz UXIZYTLIHUFGHC-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC3(C#N)CC3)c2)c1 ZINC000160899473 509045214 /nfs/dbraw/zinc/04/52/14/509045214.db2.gz HEYMUDRZUJZQQX-UHFFFAOYSA-N -1 1 369.446 2.890 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127011129 509158774 /nfs/dbraw/zinc/15/87/74/509158774.db2.gz QKPPTZBVJVKDIZ-AMIZOPFISA-N -1 1 362.377 2.736 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccccc1 ZINC000161904309 509163313 /nfs/dbraw/zinc/16/33/13/509163313.db2.gz XNPFWAWZJHOHTC-ZDUSSCGKSA-N -1 1 366.464 2.916 20 30 FFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000121434581 509173884 /nfs/dbraw/zinc/17/38/84/509173884.db2.gz ZMMQSIADQCPYDS-UHFFFAOYSA-N -1 1 357.269 2.685 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccc(COC3CCOCC3)cc2)cc1[O-] ZINC000189005351 509365649 /nfs/dbraw/zinc/36/56/49/509365649.db2.gz NKGIZWXIMMMBMT-UHFFFAOYSA-N -1 1 366.417 2.889 20 30 FFEDMM C=CC[C@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000189558023 509636346 /nfs/dbraw/zinc/63/63/46/509636346.db2.gz JJGIQGOWFIWGHH-INIZCTEOSA-N -1 1 350.422 2.616 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cncc(Br)c2)c(F)c1 ZINC000168375215 509646136 /nfs/dbraw/zinc/64/61/36/509646136.db2.gz IUNFSGFKOWHAML-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM CCC(C)(C)N(CCC#N)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000189909673 509822921 /nfs/dbraw/zinc/82/29/21/509822921.db2.gz OCZWFFSZMCJVRA-UHFFFAOYSA-N -1 1 350.488 2.664 20 30 FFEDMM COCc1cc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1F ZINC000177145388 509900062 /nfs/dbraw/zinc/90/00/62/509900062.db2.gz NLLWGSJGTMKLAI-UHFFFAOYSA-N -1 1 370.352 2.600 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1[O-] ZINC000190043205 509902688 /nfs/dbraw/zinc/90/26/88/509902688.db2.gz YOGLTKDUTXADBK-INIZCTEOSA-N -1 1 365.437 2.602 20 30 FFEDMM C[C@@H](CC#N)N(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000268590714 510025048 /nfs/dbraw/zinc/02/50/48/510025048.db2.gz BSRKHDJWPRDJLZ-VIFPVBQESA-N -1 1 359.304 2.877 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1[O-] ZINC000190908244 510408314 /nfs/dbraw/zinc/40/83/14/510408314.db2.gz WYVGFUZHSXFABN-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000194655449 510467736 /nfs/dbraw/zinc/46/77/36/510467736.db2.gz FVXPJXSJLOLMFK-LLVKDONJSA-N -1 1 355.360 2.656 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cc1[O-] ZINC000187876698 510482292 /nfs/dbraw/zinc/48/22/92/510482292.db2.gz MKGACGFUDLOWJA-UHFFFAOYSA-N -1 1 355.438 2.519 20 30 FFEDMM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000187977937 510531782 /nfs/dbraw/zinc/53/17/82/510531782.db2.gz WDJJQVLJXIOAFB-HNNXBMFYSA-N -1 1 371.824 2.935 20 30 FFEDMM N#Cc1ccc(C(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000195012139 510630659 /nfs/dbraw/zinc/63/06/59/510630659.db2.gz WAVARKYRGDVMSC-UHFFFAOYSA-N -1 1 355.419 2.911 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cccc(COC3CCOCC3)c2)cc1[O-] ZINC000188388927 510742619 /nfs/dbraw/zinc/74/26/19/510742619.db2.gz AOYNLQWDJHGUKD-UHFFFAOYSA-N -1 1 366.417 2.889 20 30 FFEDMM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000188561421 510826231 /nfs/dbraw/zinc/82/62/31/510826231.db2.gz GYISATIGNRKGPE-UHFFFAOYSA-N -1 1 364.405 2.562 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1[O-] ZINC000188614033 510843600 /nfs/dbraw/zinc/84/36/00/510843600.db2.gz BMGNEPWMAPBBAL-HNNXBMFYSA-N -1 1 363.417 2.546 20 30 FFEDMM N#CC1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CCOCC1 ZINC000331468745 511065700 /nfs/dbraw/zinc/06/57/00/511065700.db2.gz GMTUWGYZUDRKBZ-UHFFFAOYSA-N -1 1 371.437 2.714 20 30 FFEDMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000288531142 511079793 /nfs/dbraw/zinc/07/97/93/511079793.db2.gz OFBAFTCFOSFDCR-UHFFFAOYSA-N -1 1 356.469 2.633 20 30 FFEDMM COCCCOc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000280066426 511323020 /nfs/dbraw/zinc/32/30/20/511323020.db2.gz ZQEXWYFPORZZGA-UHFFFAOYSA-N -1 1 360.435 2.969 20 30 FFEDMM CCOc1c(Cl)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC ZINC000298671087 511369555 /nfs/dbraw/zinc/36/95/55/511369555.db2.gz OJFGIQXSICNNNF-SQRWCISFSA-N -1 1 364.781 2.976 20 30 FFEDMM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000281308850 511797610 /nfs/dbraw/zinc/79/76/10/511797610.db2.gz ZMHNTJSVPQTICY-OAHLLOKOSA-N -1 1 357.360 2.693 20 30 FFEDMM CC(C)(CC#N)CNC(=O)c1ccc(I)c([O-])c1 ZINC000315892998 511801392 /nfs/dbraw/zinc/80/13/92/511801392.db2.gz CDKNMEGBYZIZKQ-UHFFFAOYSA-N -1 1 358.179 2.666 20 30 FFEDMM Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)c1C#N ZINC000440837186 513419722 /nfs/dbraw/zinc/41/97/22/513419722.db2.gz YOLIJKFJBBNZKW-UHFFFAOYSA-N -1 1 372.402 2.715 20 30 FFEDMM CC(C)([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F ZINC000451034937 513474952 /nfs/dbraw/zinc/47/49/52/513474952.db2.gz YXCWXJKJDGVETR-UHFFFAOYSA-N -1 1 371.178 2.940 20 30 FFEDMM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435724665 513668087 /nfs/dbraw/zinc/66/80/87/513668087.db2.gz DIGDTMLFZIVADS-UHFFFAOYSA-N -1 1 374.418 2.609 20 30 FFEDMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccccc1 ZINC000451326817 513678242 /nfs/dbraw/zinc/67/82/42/513678242.db2.gz DTJHEFBSCFJEGN-HNNXBMFYSA-N -1 1 364.467 2.683 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccc2ccccc2c1 ZINC000451389931 513717327 /nfs/dbraw/zinc/71/73/27/513717327.db2.gz XNCWHTFDUUFXSW-QGZVFWFLSA-N -1 1 372.446 2.667 20 30 FFEDMM COC(=O)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(OC)c(Cl)c1 ZINC000443131352 513880989 /nfs/dbraw/zinc/88/09/89/513880989.db2.gz JWPRMJJBGYPJTA-INIZCTEOSA-N -1 1 374.780 2.570 20 30 FFEDMM N#Cc1ccc(OCCNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436559013 513896569 /nfs/dbraw/zinc/89/65/69/513896569.db2.gz YCSKBGDLCYKBNV-UHFFFAOYSA-N -1 1 361.195 2.835 20 30 FFEDMM C[C@H]1C[C@@]1(C#N)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000449819942 514370922 /nfs/dbraw/zinc/37/09/22/514370922.db2.gz KDQGBLPAKYJQJG-CPFSXVBKSA-N -1 1 351.229 2.811 20 30 FFEDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475819052 514822151 /nfs/dbraw/zinc/82/21/51/514822151.db2.gz TXELVNWCDJWXSS-UHFFFAOYSA-N -1 1 357.435 2.612 20 30 FFEDMM CC1(C#N)CN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000498757288 515055876 /nfs/dbraw/zinc/05/58/76/515055876.db2.gz JXGYICVYQBZDJE-UHFFFAOYSA-N -1 1 370.434 2.865 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Cl)cn1 ZINC000509704061 515296291 /nfs/dbraw/zinc/29/62/91/515296291.db2.gz IUBHSOPVPAEEGA-SECBINFHSA-N -1 1 366.786 2.554 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000463524926 515536146 /nfs/dbraw/zinc/53/61/46/515536146.db2.gz GIOHKIWPMOSUHZ-UHFFFAOYSA-N -1 1 371.374 2.547 20 30 FFEDMM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cc1 ZINC000464797614 515964608 /nfs/dbraw/zinc/96/46/08/515964608.db2.gz ZRIUFSNSJMKRPJ-UHFFFAOYSA-N -1 1 362.393 2.837 20 30 FFEDMM C=C[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000465149962 516079512 /nfs/dbraw/zinc/07/95/12/516079512.db2.gz ZCFHZPSBZVNRJH-ZDUSSCGKSA-N -1 1 362.426 2.860 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=c2cc(C)n([C@@H](C)C3CC3)[nH]2)cc1C#N ZINC000544261591 516667494 /nfs/dbraw/zinc/66/74/94/516667494.db2.gz WFBDBZDKOSNXIX-JTQLQIEISA-N -1 1 357.439 2.531 20 30 FFEDMM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000519316979 516956160 /nfs/dbraw/zinc/95/61/60/516956160.db2.gz KJROUINDEOEVKS-ZDUSSCGKSA-N -1 1 352.419 2.761 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)ccc1C ZINC000562236700 516972958 /nfs/dbraw/zinc/97/29/58/516972958.db2.gz MKZNXASWFXYCQN-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553523364 517760314 /nfs/dbraw/zinc/76/03/14/517760314.db2.gz FIEFDCQDDSIDJH-JKSUJKDBSA-N -1 1 360.435 2.813 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc([C@H]2CCCOC2)n[nH]1 ZINC000516698046 517813282 /nfs/dbraw/zinc/81/32/82/517813282.db2.gz GCECBFRXMXQUMX-JTQLQIEISA-N -1 1 366.830 2.630 20 30 FFEDMM N#Cc1ccncc1N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000553697339 517858506 /nfs/dbraw/zinc/85/85/06/517858506.db2.gz VCFULILJSYLKNI-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccc(F)cc3)nc2)o1 ZINC000553785911 517905033 /nfs/dbraw/zinc/90/50/33/517905033.db2.gz HAFMDDZJMIZWFU-UHFFFAOYSA-N -1 1 373.365 2.956 20 30 FFEDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000553908778 517964121 /nfs/dbraw/zinc/96/41/21/517964121.db2.gz CGLZKODFVCHHIM-JDNHERCYSA-N -1 1 350.346 2.637 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OCc3ccccc3)c2)o1 ZINC000563722070 518088669 /nfs/dbraw/zinc/08/86/69/518088669.db2.gz FLAFFMDYNCHZGS-UHFFFAOYSA-N -1 1 369.402 2.604 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc2[nH]ccc21 ZINC000570717067 518747025 /nfs/dbraw/zinc/74/70/25/518747025.db2.gz SAUOKJFPFUQTGS-UHFFFAOYSA-N -1 1 355.375 2.627 20 30 FFEDMM CS(=O)(=O)Nc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000589168302 518938073 /nfs/dbraw/zinc/93/80/73/518938073.db2.gz CZMIVDNGEOCXPL-UHFFFAOYSA-N -1 1 365.798 2.541 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c1 ZINC000589169539 518938635 /nfs/dbraw/zinc/93/86/35/518938635.db2.gz ZIFAEXLKJLWKHC-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589178074 518942341 /nfs/dbraw/zinc/94/23/41/518942341.db2.gz WQJCXMPXGCXZBN-UHFFFAOYSA-N -1 1 351.406 2.628 20 30 FFEDMM CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589179395 518942772 /nfs/dbraw/zinc/94/27/72/518942772.db2.gz OQERLIXDRCCKIX-HXUWFJFHSA-N -1 1 369.465 2.907 20 30 FFEDMM N#Cc1ccc(OC2CCC(NC(=O)c3cc([O-])cc(C#N)c3)CC2)nc1 ZINC000589196664 518947351 /nfs/dbraw/zinc/94/73/51/518947351.db2.gz AOCACMPKZTXSDV-UHFFFAOYSA-N -1 1 362.389 2.651 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(COC3CCOCC3)cc2)c1 ZINC000589194097 518948014 /nfs/dbraw/zinc/94/80/14/518948014.db2.gz WVWCAILNUFTJIE-UHFFFAOYSA-N -1 1 366.417 2.889 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2Oc2cccc(F)c2)o1 ZINC000577972860 519350680 /nfs/dbraw/zinc/35/06/80/519350680.db2.gz NQACKBOIBCDDJO-UHFFFAOYSA-N -1 1 373.365 2.956 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)N(C)CC3)n1 ZINC000574834665 519356146 /nfs/dbraw/zinc/35/61/46/519356146.db2.gz MCYGVVQPITWXOE-ZDUSSCGKSA-N -1 1 355.419 2.802 20 30 FFEDMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)cc1C ZINC000595322188 520407458 /nfs/dbraw/zinc/40/74/58/520407458.db2.gz NAMLBEHXPMLTRZ-AWEZNQCLSA-N -1 1 362.407 2.698 20 30 FFEDMM C[C@H](C#N)N(C(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000598131747 520444376 /nfs/dbraw/zinc/44/43/76/520444376.db2.gz CCHQMCBJRJJOSF-MRVPVSSYSA-N -1 1 356.163 2.513 20 30 FFEDMM Cc1nc([N-]C(=O)c2cc(-c3ccccc3)no2)n(-c2ccc(C#N)cc2)n1 ZINC000610110382 520543424 /nfs/dbraw/zinc/54/34/24/520543424.db2.gz WCEXAUSAUOIIKW-UHFFFAOYSA-N -1 1 370.372 2.777 20 30 FFEDMM N#CC(=C([O-])c1cccc(OCC(N)=O)c1)c1nc2cc(F)ccc2s1 ZINC000592974380 520667358 /nfs/dbraw/zinc/66/73/58/520667358.db2.gz RMNDSNRSLABOEU-CYBMUJFWSA-N -1 1 369.377 2.790 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000614370585 520929419 /nfs/dbraw/zinc/92/94/19/520929419.db2.gz ONRCTGGIHAJDJK-GOSISDBHSA-N -1 1 363.417 2.689 20 30 FFEDMM CCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccn1 ZINC000611017108 520949646 /nfs/dbraw/zinc/94/96/46/520949646.db2.gz YPTGXDXEPRCAGA-CQSZACIVSA-N -1 1 360.395 2.681 20 30 FFEDMM N#Cc1cccc(CN2CCC(N=c3[n-]nc(C(F)(F)F)s3)CC2)c1 ZINC000593515672 521044639 /nfs/dbraw/zinc/04/46/39/521044639.db2.gz QJSNFJTYQFYGAQ-UHFFFAOYSA-N -1 1 367.400 2.927 20 30 FFEDMM COC(=O)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)c(F)c1 ZINC000614720513 521107759 /nfs/dbraw/zinc/10/77/59/521107759.db2.gz XNROFOLTYHWBNJ-OAHLLOKOSA-N -1 1 362.744 2.700 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)cc1 ZINC000614866279 521172883 /nfs/dbraw/zinc/17/28/83/521172883.db2.gz ZSOIMSMPMOVAQZ-UHFFFAOYSA-N -1 1 374.462 2.592 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)c1 ZINC000619461344 521579328 /nfs/dbraw/zinc/57/93/28/521579328.db2.gz OXHDITWORLLIFV-UHFFFAOYSA-N -1 1 355.419 2.680 20 30 FFEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000619595972 521788638 /nfs/dbraw/zinc/78/86/38/521788638.db2.gz HKRRTGMXBAHADT-JTQLQIEISA-N -1 1 363.233 2.990 20 30 FFEDMM COCCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736976703 599156744 /nfs/dbraw/zinc/15/67/44/599156744.db2.gz OWWJFPFZQNRYGK-UHFFFAOYSA-N -1 1 373.392 2.970 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000735402347 598451287 /nfs/dbraw/zinc/45/12/87/598451287.db2.gz RRZQEFWLIMGCIR-UHFFFAOYSA-N -1 1 371.422 2.622 20 30 FFEDMM Cc1nc2c(s1)C(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)CCC2 ZINC000737487313 598492766 /nfs/dbraw/zinc/49/27/66/598492766.db2.gz HOALLYGPBHWYFN-UHFFFAOYSA-N -1 1 358.431 2.896 20 30 FFEDMM Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000738922857 599731687 /nfs/dbraw/zinc/73/16/87/599731687.db2.gz NECWITMDTPFCEM-UHFFFAOYSA-N -1 1 365.777 2.982 20 30 FFEDMM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000739066793 599783160 /nfs/dbraw/zinc/78/31/60/599783160.db2.gz QUMWZLUINYMVPV-DNVCBOLYSA-N -1 1 372.384 2.639 20 30 FFEDMM C[C@H](CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1)C(=O)[O-] ZINC000736578874 599949315 /nfs/dbraw/zinc/94/93/15/599949315.db2.gz PJFJQTFZIJPVSP-CYBMUJFWSA-N -1 1 363.845 2.772 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000739140174 600237378 /nfs/dbraw/zinc/23/73/78/600237378.db2.gz PSUIRTDJBZJVDP-UHFFFAOYSA-N -1 1 368.317 2.659 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1C ZINC000738608153 600301334 /nfs/dbraw/zinc/30/13/34/600301334.db2.gz DHYQIOFBFDBQOZ-SFHVURJKSA-N -1 1 369.465 2.737 20 30 FFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000736088759 600900458 /nfs/dbraw/zinc/90/04/58/600900458.db2.gz CZULYYCONQEGGX-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1cc(C#N)ccc1Cl ZINC000831946304 601492343 /nfs/dbraw/zinc/49/23/43/601492343.db2.gz SQVSNFZPASCQCB-UHFFFAOYSA-N -1 1 372.811 2.781 20 30 FFEDMM CN(CC(=O)c1cn(CCC#N)c2ccccc12)C1CCN(C(=O)[O-])CC1 ZINC000828125302 603994077 /nfs/dbraw/zinc/99/40/77/603994077.db2.gz HNAKFXKGPHHOCF-UHFFFAOYSA-N -1 1 368.437 2.812 20 30 FFEDMM N#CC(C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])c1ccc2ccccc2n1 ZINC000831065237 604215206 /nfs/dbraw/zinc/21/52/06/604215206.db2.gz PTJXVIXXNJGHPM-LSDHHAIUSA-N -1 1 353.378 2.570 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833402330 605598445 /nfs/dbraw/zinc/59/84/45/605598445.db2.gz JCGBWRIKWSMQKJ-ZWXCPPHNSA-N -1 1 372.402 2.876 20 30 FFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832816 605900103 /nfs/dbraw/zinc/90/01/03/605900103.db2.gz URNHEURDSRHNSI-IJLUTSLNSA-N -1 1 364.833 2.517 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(-c3cccs3)s2)o1 ZINC000822422892 606339932 /nfs/dbraw/zinc/33/99/32/606339932.db2.gz FPAPNTSYSSCCNN-UHFFFAOYSA-N -1 1 358.412 2.794 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCOc3ccccc32)o1 ZINC000820198227 606460738 /nfs/dbraw/zinc/46/07/38/606460738.db2.gz SXXFFLJOCAAXQY-NSHDSACASA-N -1 1 353.386 2.942 20 30 FFEDMM CCC(N=Nc1oc(C)nc1-c1nn[n-]n1)c1ccc2c(c1)CCCO2 ZINC000825029479 608228136 /nfs/dbraw/zinc/22/81/36/608228136.db2.gz UBZJVEJBXRLMNB-UHFFFAOYSA-N -1 1 353.386 2.714 20 30 FFEDMM Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000743267766 735286956 /nfs/dbraw/zinc/28/69/56/735286956.db2.gz KEEMKLZYYKLXGP-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cnc2cnccn12 ZINC000746368582 735479203 /nfs/dbraw/zinc/47/92/03/735479203.db2.gz LWZFQFGWCYWOKZ-UHFFFAOYSA-N -1 1 367.463 2.784 20 30 FFEDMM C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(Br)ccc1[O-] ZINC000121542282 728630224 /nfs/dbraw/zinc/63/02/24/728630224.db2.gz JINONWLPMFAZPL-VIFPVBQESA-N -1 1 362.183 2.827 20 30 FFEDMM O=S(=O)(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1c[n-]cn1 ZINC000122176509 728644796 /nfs/dbraw/zinc/64/47/96/728644796.db2.gz GSTRLBPOPDPKNC-SNVBAGLBSA-N -1 1 354.737 2.942 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc(F)c1F ZINC000122313728 728646240 /nfs/dbraw/zinc/64/62/40/728646240.db2.gz QYZSSNGYFSXBFC-UHFFFAOYSA-N -1 1 366.345 2.618 20 30 FFEDMM C#CCSCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000130767023 728720652 /nfs/dbraw/zinc/72/06/52/728720652.db2.gz SGYZXVQHCDSLQA-UHFFFAOYSA-N -1 1 374.487 2.584 20 30 FFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Br)cs1 ZINC000138828619 728740819 /nfs/dbraw/zinc/74/08/19/728740819.db2.gz HNJYNZMYHVWXGH-VIFPVBQESA-N -1 1 350.197 2.867 20 30 FFEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@H](O)CC(C)(C)C#N)c1 ZINC000857242842 730387015 /nfs/dbraw/zinc/38/70/15/730387015.db2.gz OROHUIDZTIIEDX-CQSZACIVSA-N -1 1 357.376 2.886 20 30 FFEDMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000779849538 738489928 /nfs/dbraw/zinc/48/99/28/738489928.db2.gz WFLHMGUJFLHAGA-NSHDSACASA-N -1 1 360.391 2.785 20 30 FFEDMM CCN(CCO)N=C(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863122166 730751289 /nfs/dbraw/zinc/75/12/89/730751289.db2.gz BUBZGNSLZBSDOI-UHFFFAOYSA-N -1 1 361.467 2.526 20 30 FFEDMM COCc1cc(C#N)ccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000882303599 733205826 /nfs/dbraw/zinc/20/58/26/733205826.db2.gz AWTBHNZHNJJIKV-UHFFFAOYSA-N -1 1 355.360 2.600 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NN2C(=S)N=NC2c2ccccc2)c1 ZINC000726736017 734442101 /nfs/dbraw/zinc/44/21/01/734442101.db2.gz AAXFSEQIRVFTBI-UHFFFAOYSA-N -1 1 354.391 2.608 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC)c2)cc1 ZINC000730996386 734661412 /nfs/dbraw/zinc/66/14/12/734661412.db2.gz NGMPVXLMHJUFHH-UHFFFAOYSA-N -1 1 359.403 2.676 20 30 FFEDMM O=c1nc(NN=Cc2ccc(F)c(-c3cccs3)c2)nc2[nH][n-]cc1-2 ZINC000731157871 734668512 /nfs/dbraw/zinc/66/85/12/734668512.db2.gz SPVIUZVLPNSQEX-UHFFFAOYSA-N -1 1 354.370 2.746 20 30 FFEDMM C#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000733288511 734804249 /nfs/dbraw/zinc/80/42/49/734804249.db2.gz ORDSEIBZWHUPOI-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM C#CC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000733976843 734865504 /nfs/dbraw/zinc/86/55/04/734865504.db2.gz ZNINJXLXZRSGFP-UHFFFAOYSA-N -1 1 360.410 2.768 20 30 FFEDMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000734119702 734875218 /nfs/dbraw/zinc/87/52/18/734875218.db2.gz HPAVXCNAGZUJNC-UHFFFAOYSA-N -1 1 359.407 2.870 20 30 FFEDMM C=CC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccncc1 ZINC000734235161 734884869 /nfs/dbraw/zinc/88/48/69/734884869.db2.gz XZCORIZUVUWEBF-OAHLLOKOSA-N -1 1 358.467 2.974 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc([S@](=O)C(F)(F)F)cc2)cc1 ZINC000748673063 735663059 /nfs/dbraw/zinc/66/30/59/735663059.db2.gz IRNIADOMHCWJJB-QHCPKHFHSA-N -1 1 374.365 2.986 20 30 FFEDMM C[C@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(=O)NC1(C#N)CCC1 ZINC000901617609 735806107 /nfs/dbraw/zinc/80/61/07/735806107.db2.gz WWCSIVVCWLSORB-LBPRGKRZSA-N -1 1 354.435 2.892 20 30 FFEDMM C=CCOc1ccc(CN2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc1OC ZINC000901965460 735881063 /nfs/dbraw/zinc/88/10/63/735881063.db2.gz KGHHIPRYUOYHRY-STQMWFEESA-N -1 1 359.344 2.955 20 30 FFEDMM O=c1nc(NN=Cc2cc(C(F)(F)F)ccc2Cl)nc2[nH][n-]cc1-2 ZINC000753701776 736087792 /nfs/dbraw/zinc/08/77/92/736087792.db2.gz YDAKUAAYKODMGC-UHFFFAOYSA-N -1 1 356.695 2.550 20 30 FFEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=CC1(C)CCOCC1 ZINC000758108878 736453090 /nfs/dbraw/zinc/45/30/90/736453090.db2.gz LRULDURUISAHIF-UHFFFAOYSA-N -1 1 364.427 2.674 20 30 FFEDMM COc1cc(OC)nc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)n1 ZINC000906621565 736525484 /nfs/dbraw/zinc/52/54/84/736525484.db2.gz DWHJLOXTVWQKNQ-NSHDSACASA-N -1 1 358.423 2.998 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2nc3cc(C(F)(F)F)ccc3n2C)n1 ZINC000760217252 736622545 /nfs/dbraw/zinc/62/25/45/736622545.db2.gz FQFFEIVWDTVXCN-UHFFFAOYSA-N -1 1 350.304 2.842 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C(Cc2ccccc2)C(F)(F)F)c2ccccc21 ZINC000760240981 736624165 /nfs/dbraw/zinc/62/41/65/736624165.db2.gz BQDLZLQJGUYHOH-UHFFFAOYSA-N -1 1 367.352 2.886 20 30 FFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-]CCOCC(F)(F)C(F)F ZINC000907757034 736664085 /nfs/dbraw/zinc/66/40/85/736664085.db2.gz BRKRXKXVRICCGW-UHFFFAOYSA-N -1 1 354.250 2.683 20 30 FFEDMM C#C[C@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C(C)C ZINC000799047155 740384012 /nfs/dbraw/zinc/38/40/12/740384012.db2.gz RKIKLNLEYNFMNE-LBPRGKRZSA-N -1 1 358.316 2.891 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000908814078 736836935 /nfs/dbraw/zinc/83/69/35/736836935.db2.gz NQAIFCIEGCYFKX-HZPDHXFCSA-N -1 1 351.422 2.537 20 30 FFEDMM N#Cc1cccc(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765736043 737151349 /nfs/dbraw/zinc/15/13/49/737151349.db2.gz KAVJPQJELABIRB-UHFFFAOYSA-N -1 1 361.195 2.722 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000766475734 737232839 /nfs/dbraw/zinc/23/28/39/737232839.db2.gz YBUVCSARSNFYCK-UHFFFAOYSA-N -1 1 356.382 2.527 20 30 FFEDMM COc1cccc(S(C)(=O)=O)c1N=NCc1ccc([O-])c(Cl)c1 ZINC000767391639 737320855 /nfs/dbraw/zinc/32/08/55/737320855.db2.gz FURLSUXFYVWYJK-UHFFFAOYSA-N -1 1 354.815 2.904 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000769644600 737549547 /nfs/dbraw/zinc/54/95/47/737549547.db2.gz JOAXFCLUZUEATJ-HNNXBMFYSA-N -1 1 356.447 2.890 20 30 FFEDMM Cn1ncc2c1[n-]c(NN=C(Cc1ccccc1)C(F)(F)F)nc2=O ZINC000769815959 737569943 /nfs/dbraw/zinc/56/99/43/737569943.db2.gz APJQRGBXIPWNQB-UHFFFAOYSA-N -1 1 350.304 2.642 20 30 FFEDMM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(Br)cc1 ZINC000769818507 737570528 /nfs/dbraw/zinc/57/05/28/737570528.db2.gz VEAUHTMCRCKDKH-UHFFFAOYSA-N -1 1 361.203 2.668 20 30 FFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000915041123 737603380 /nfs/dbraw/zinc/60/33/80/737603380.db2.gz MGQJIVQYDMBGFK-KPWVOAKYSA-N -1 1 368.402 2.670 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H]1CCCO1 ZINC000773049908 737865991 /nfs/dbraw/zinc/86/59/91/737865991.db2.gz ASJRJMHRXXNLDP-VXGBXAGGSA-N -1 1 367.776 2.818 20 30 FFEDMM CC(C)(Cc1ccc(C#N)cc1)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000921448323 737986329 /nfs/dbraw/zinc/98/63/29/737986329.db2.gz IPDMOFVTCOHLAP-UHFFFAOYSA-N -1 1 372.372 2.600 20 30 FFEDMM N#Cc1ccc(NCCNC(=O)c2ccc(C(F)(F)F)cc2[O-])nc1 ZINC000776465425 738196504 /nfs/dbraw/zinc/19/65/04/738196504.db2.gz XKMCVZWYAKMIFW-UHFFFAOYSA-N -1 1 350.300 2.520 20 30 FFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1F ZINC000793408949 739778499 /nfs/dbraw/zinc/77/84/99/739778499.db2.gz MDIBSONWLOVDPB-UHFFFAOYSA-N -1 1 367.333 2.816 20 30 FFEDMM N#Cc1ccccc1NC(=S)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798373638 740326132 /nfs/dbraw/zinc/32/61/32/740326132.db2.gz JXEXQZRZCUFXBN-UHFFFAOYSA-N -1 1 370.400 2.646 20 30 FFEDMM O=C([O-])Cn1cc(C=Nn2c(C(F)(F)F)n[nH]c2=S)c2ccccc21 ZINC000799866932 740459104 /nfs/dbraw/zinc/45/91/04/740459104.db2.gz AJOJHWNZFCIJDC-UHFFFAOYSA-N -1 1 369.328 2.507 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(F)ccc(Br)c2F)c(=O)o1 ZINC000799888930 740460503 /nfs/dbraw/zinc/46/05/03/740460503.db2.gz JXDNIOIZTSAIMH-JLIVMUMWSA-N -1 1 371.133 2.956 20 30 FFEDMM CCCC[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000805032628 740928524 /nfs/dbraw/zinc/92/85/24/740928524.db2.gz RGUYUWQOROXNJP-LBPRGKRZSA-N -1 1 371.459 2.513 20 30 FFEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832924 741350986 /nfs/dbraw/zinc/35/09/86/741350986.db2.gz VNFYQRBYKRNXRM-UHFFFAOYSA-N -1 1 352.199 2.730 20 30 FFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cc2n(n1)CCO2 ZINC000810530295 741425215 /nfs/dbraw/zinc/42/52/15/741425215.db2.gz ABAKDTQXAHQOCU-SECBINFHSA-N -1 1 365.176 2.543 20 30 FFEDMM Cc1c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)n(C)c2ccccc12 ZINC000814798728 741866091 /nfs/dbraw/zinc/86/60/91/741866091.db2.gz MJYPWWGKNYRQOM-UHFFFAOYSA-N -1 1 352.419 2.559 20 30 FFEDMM C=C(C)CCNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817785580 742213239 /nfs/dbraw/zinc/21/32/39/742213239.db2.gz KEVDIKUUVQKAQA-CYBMUJFWSA-N -1 1 355.360 2.772 20 30 FFEDMM N#CC1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CCOCC1 ZINC000827923063 745001927 /nfs/dbraw/zinc/00/19/27/745001927.db2.gz AGOWSTNUIHRQHM-UHFFFAOYSA-N -1 1 359.170 2.730 20 30 FFEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=C[C@@H]1CCOC1 ZINC000845844636 748335971 /nfs/dbraw/zinc/33/59/71/748335971.db2.gz JTUPOKSZAJUYRH-BSANDHCLSA-N -1 1 354.225 2.995 20 30 FFEDMM Cc1csc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1C#N ZINC000847185584 748638330 /nfs/dbraw/zinc/63/83/30/748638330.db2.gz KPRZLMHAXBSSIY-SNVBAGLBSA-N -1 1 374.388 2.851 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000848340192 748906318 /nfs/dbraw/zinc/90/63/18/748906318.db2.gz ZWEIJSYHZJUOCI-HSMVNMDESA-N -1 1 357.376 2.518 20 30 FFEDMM CCC(Nc1sccc1C#N)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009768755 845007646 /nfs/dbraw/zinc/00/76/46/845007646.db2.gz BOJAFADJHUVMEE-VAWYXSNFSA-N -1 1 362.480 2.595 20 30 FFEDMM C#Cc1cccc(N(CC)C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001573290938 946912934 /nfs/dbraw/zinc/91/29/34/946912934.db2.gz SVKFPHIENLMJMJ-UHFFFAOYSA-N -1 1 356.389 2.996 20 30 FFEDMM CCn1c(CCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)n[n-]c1=S ZINC000067076206 962148454 /nfs/dbraw/zinc/14/84/54/962148454.db2.gz GMBDGDQANQFHFZ-INIZCTEOSA-N -1 1 373.482 2.595 20 30 FFEDMM C=CCCC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC001176187548 1013645316 /nfs/dbraw/zinc/64/53/16/1013645316.db2.gz HCVHXTZFKWNNRB-INIZCTEOSA-N -1 1 353.422 2.731 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC2(CN(C(=O)c3ccc(C#N)c([O-])c3)C2)CC1 ZINC000874613093 1013866587 /nfs/dbraw/zinc/86/65/87/1013866587.db2.gz UAKHQCSONYOVJS-UHFFFAOYSA-N -1 1 371.437 2.737 20 30 FFEDMM C=C1CCC(C(=O)N2CC[C@H]3CCN(C(=O)c4ncccc4[O-])[C@H]3C2)CC1 ZINC000975982182 973662651 /nfs/dbraw/zinc/66/26/51/973662651.db2.gz FTNFMSHDUPNAGE-RDJZCZTQSA-N -1 1 369.465 2.597 20 30 FFEDMM N#Cc1cc(F)ccc1N1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC001152028775 1032089552 /nfs/dbraw/zinc/08/95/52/1032089552.db2.gz BZYKTGKIWWPSCN-UHFFFAOYSA-N -1 1 373.815 2.948 20 30 FFEDMM C=CCN1CC[C@@]2(CCCN2C(=O)c2ccc3ccccc3c2[O-])C1=O ZINC001272247256 977356867 /nfs/dbraw/zinc/35/68/67/977356867.db2.gz JQPQIZFYQIYYOF-NRFANRHFSA-N -1 1 350.418 2.939 20 30 FFEDMM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc2ccccc2c1[O-] ZINC001272247342 977361803 /nfs/dbraw/zinc/36/18/03/977361803.db2.gz NBGFXDUQGUBQET-QZTJIDSGSA-N -1 1 350.418 2.937 20 30 FFEDMM C=CCN1CC[C@]2(CCN(C(=O)c3c([O-])ccc4ccccc43)C2)C1=O ZINC001271877559 979206082 /nfs/dbraw/zinc/20/60/82/979206082.db2.gz XCUSAYBXDRVMPV-OAQYLSRUSA-N -1 1 350.418 2.796 20 30 FFEDMM C#Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000906964212 981176250 /nfs/dbraw/zinc/17/62/50/981176250.db2.gz RAYUDYDEFQFFRT-UHFFFAOYSA-N -1 1 369.442 2.657 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000912176577 983972456 /nfs/dbraw/zinc/97/24/56/983972456.db2.gz FXYCVKGZYYYKJN-PMACEKPBSA-N -1 1 350.418 2.862 20 30 FFEDMM COc1cccc2cc(C(C)=NN=C3[N-]S(=O)(=O)c4ccccc43)oc21 ZINC000914599446 987812121 /nfs/dbraw/zinc/81/21/21/987812121.db2.gz CLTHMZRTFKFYGL-UHFFFAOYSA-N -1 1 369.402 2.904 20 30 FFEDMM COc1cc(/C=C\C(=O)c2ccc(O)cc2O)ccc1OCCC(=O)[O-] ZINC000763374548 989800376 /nfs/dbraw/zinc/80/03/76/989800376.db2.gz UCXPGBJALHSSKB-KXFIGUGUSA-N -1 1 358.346 2.856 20 30 FFEDMM COc1cccc([C@@]2(C)NC(=O)N(N=Cc3ccc([O-])c(Cl)c3)C2=O)c1 ZINC000921257198 991021255 /nfs/dbraw/zinc/02/12/55/991021255.db2.gz QNAYZKLJXIIWQP-GOSISDBHSA-N -1 1 373.796 2.855 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000740065996 991630631 /nfs/dbraw/zinc/63/06/31/991630631.db2.gz GTPZCWHTOKJEBX-IAGOWNOFSA-N -1 1 372.469 2.528 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809646544 994565844 /nfs/dbraw/zinc/56/58/44/994565844.db2.gz CVQBVVAIWRBNGJ-CYBMUJFWSA-N -1 1 359.426 2.641 20 30 FFEDMM N#Cc1cc(F)cc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CC2)c1 ZINC000803923594 1016297302 /nfs/dbraw/zinc/29/73/02/1016297302.db2.gz SVCJBWKGVGYXSI-UHFFFAOYSA-N -1 1 355.321 2.566 20 30 FFEDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(NC(=O)CC#N)cc2)c1 ZINC000744493559 999859950 /nfs/dbraw/zinc/85/99/50/999859950.db2.gz UVPPSCIHZXUQDY-UHFFFAOYSA-N -1 1 366.373 2.846 20 30 FFEDMM CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])C(=N)c1ccccc1N ZINC001145027461 1000506865 /nfs/dbraw/zinc/50/68/65/1000506865.db2.gz QLPSSECTJVDKSF-ZDUSSCGKSA-N -1 1 350.419 2.505 20 30 FFEDMM C#CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CSC1 ZINC001146873762 1000789783 /nfs/dbraw/zinc/78/97/83/1000789783.db2.gz MERWLPBJTJKUIX-UHFFFAOYSA-N -1 1 362.451 2.930 20 30 FFEDMM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785590103 1001455208 /nfs/dbraw/zinc/45/52/08/1001455208.db2.gz ILJOSRJDMAZAFH-LJQANCHMSA-N -1 1 361.442 2.933 20 30 FFEDMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785628122 1001464291 /nfs/dbraw/zinc/46/42/91/1001464291.db2.gz HWQDNDFWQSSZPK-DOMZBBRYSA-N -1 1 359.426 2.639 20 30 FFEDMM Cc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c2ccccn12 ZINC000786559600 1001606132 /nfs/dbraw/zinc/60/61/32/1001606132.db2.gz IMJDUTXIBUUXCH-CYBMUJFWSA-N -1 1 368.343 2.560 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccnc(SC)c2)c1 ZINC000678031143 1016727806 /nfs/dbraw/zinc/72/78/06/1016727806.db2.gz GGOJBSMODHOLCJ-UHFFFAOYSA-N -1 1 363.464 2.520 20 30 FFEDMM N#Cc1ccccc1NC(=S)NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001196336029 1003746712 /nfs/dbraw/zinc/74/67/12/1003746712.db2.gz KFCOREKOQNBOLG-UHFFFAOYSA-N -1 1 373.374 2.517 20 30 FFEDMM CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC001192109714 1004055348 /nfs/dbraw/zinc/05/53/48/1004055348.db2.gz KLUASPGUYQZMSL-UHFFFAOYSA-N -1 1 373.434 2.701 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC001197107863 1004086935 /nfs/dbraw/zinc/08/69/35/1004086935.db2.gz YCATYLTWEPGCNR-JXMROGBWSA-N -1 1 356.403 2.740 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1CC(F)(F)F ZINC001193112922 1004377960 /nfs/dbraw/zinc/37/79/60/1004377960.db2.gz WSJFQUFLHAJCQL-SNVBAGLBSA-N -1 1 358.345 2.766 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001193112434 1004378390 /nfs/dbraw/zinc/37/83/90/1004378390.db2.gz TVLDFKIYODYZLW-SNVBAGLBSA-N -1 1 358.345 2.853 20 30 FFEDMM Cc1ccnc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)[C@H](C)C#N)c2)c1 ZINC001193150625 1004390948 /nfs/dbraw/zinc/39/09/48/1004390948.db2.gz ZIDREFNWBNFDHX-CYBMUJFWSA-N -1 1 358.423 2.605 20 30 FFEDMM N#Cc1ccccc1N1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193209351 1004402904 /nfs/dbraw/zinc/40/29/04/1004402904.db2.gz IWGAAGVQWDKAKC-UHFFFAOYSA-N -1 1 357.797 2.585 20 30 FFEDMM C=CCOC(=O)N1CCC(CNC(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193247515 1004418300 /nfs/dbraw/zinc/41/83/00/1004418300.db2.gz ZBCPUMDNKMYPEP-UHFFFAOYSA-N -1 1 368.817 2.516 20 30 FFEDMM N#CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195236295 1004913647 /nfs/dbraw/zinc/91/36/47/1004913647.db2.gz UGLXCJSVMIAZFY-UHFFFAOYSA-N -1 1 352.318 2.530 20 30 FFEDMM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC001195590250 1004992706 /nfs/dbraw/zinc/99/27/06/1004992706.db2.gz LMQDHOAUAXRGPZ-UHFFFAOYSA-N -1 1 365.798 2.584 20 30 FFEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Br)CC1 ZINC001201019545 1005156158 /nfs/dbraw/zinc/15/61/58/1005156158.db2.gz SFOOXMXTCMIMPN-AOOOYVTPSA-N -1 1 361.236 2.949 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C#N)ccc1OC ZINC001187997996 1006359443 /nfs/dbraw/zinc/35/94/43/1006359443.db2.gz LCNZOFLBQZILDB-UHFFFAOYSA-N -1 1 359.407 2.581 20 30 FFEDMM COC(=O)CCS(=O)(=O)[N-]c1ccc(Cl)cc1C#C[Si](C)(C)C ZINC001188400543 1006565601 /nfs/dbraw/zinc/56/56/01/1006565601.db2.gz RCVBEBMJHAEIAS-UHFFFAOYSA-N -1 1 373.934 2.874 20 30 FFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189052242 1006870300 /nfs/dbraw/zinc/87/03/00/1006870300.db2.gz FLOXJRXDIAKPMU-LBPRGKRZSA-N -1 1 352.200 2.808 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)CC[C@@H]21 ZINC000817000804 1007313709 /nfs/dbraw/zinc/31/37/09/1007313709.db2.gz RVHNIQWXGCOBEU-HOTGVXAUSA-N -1 1 371.437 2.735 20 30 FFEDMM N#CCCn1cc(C(=O)CN2CCC[C@H](CC(=O)[O-])C2)c2ccccc21 ZINC000819090815 1008031719 /nfs/dbraw/zinc/03/17/19/1008031719.db2.gz DOAUDDHEONJKSY-OAHLLOKOSA-N -1 1 353.422 2.924 20 30 FFEDMM N#C[C@@H](Cc1cccs1)C(=O)Nc1nc(Br)ccc1[O-] ZINC001177905300 1008779240 /nfs/dbraw/zinc/77/92/40/1008779240.db2.gz XSHASBZRSPXISM-MRVPVSSYSA-N -1 1 352.213 2.932 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@]2(F)C[C@@H]2C(=O)OCc2ccccc2)c([O-])c1 ZINC001178861458 1009174278 /nfs/dbraw/zinc/17/42/78/1009174278.db2.gz BUGMRGAQVGKDBS-KUHUBIRLSA-N -1 1 354.337 2.674 20 30 FFEDMM COCC1(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)CCC1 ZINC001181945947 1010315450 /nfs/dbraw/zinc/31/54/50/1010315450.db2.gz FSOHCSIOQXAZIO-VXLYETTFSA-N -1 1 372.450 2.977 20 30 FFEDMM N#Cc1nccnc1N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000866143272 1010937138 /nfs/dbraw/zinc/93/71/38/1010937138.db2.gz PLUWYZDRCITBQV-LLVKDONJSA-N -1 1 361.327 2.652 20 30 FFEDMM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801366491 1018891090 /nfs/dbraw/zinc/89/10/90/1018891090.db2.gz HSLQSHNODSFPBU-OAHLLOKOSA-N -1 1 369.421 2.632 20 30 FFEDMM CN(C(=O)C1CC1)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000901744235 1019424491 /nfs/dbraw/zinc/42/44/91/1019424491.db2.gz UTVZOWLCQYRXQM-UHFFFAOYSA-N -1 1 369.446 2.926 20 30 FFEDMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNc2ncc(C#N)cc2F)C1 ZINC001048120770 1019904942 /nfs/dbraw/zinc/90/49/42/1019904942.db2.gz KSMOOYWZYUIFJX-OCCSQVGLSA-N -1 1 369.400 2.546 20 30 FFEDMM Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])ccc1C#N ZINC001045439017 1019966608 /nfs/dbraw/zinc/96/66/08/1019966608.db2.gz STPLIXZHOVBRHA-HUUCEWRRSA-N -1 1 351.410 2.515 20 30 FFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21 ZINC001116832535 1021443168 /nfs/dbraw/zinc/44/31/68/1021443168.db2.gz XAVJQQRNPRVBPY-OAHLLOKOSA-N -1 1 364.373 2.811 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001118852575 1022440722 /nfs/dbraw/zinc/44/07/22/1022440722.db2.gz NPLFDCRHBRHUAV-HUUCEWRRSA-N -1 1 354.431 2.836 20 30 FFEDMM C=C(C)Cn1c(C(F)F)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001122455923 1023281739 /nfs/dbraw/zinc/28/17/39/1023281739.db2.gz 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N#Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc2ccc([N+](=O)[O-])cc12 ZINC001159280540 1027335714 /nfs/dbraw/zinc/33/57/14/1027335714.db2.gz WQOOXXNLBQKZPD-UHFFFAOYSA-N -1 1 364.317 2.721 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cn2c(cccc2C(F)(F)F)n1 ZINC001153374882 1027853897 /nfs/dbraw/zinc/85/38/97/1027853897.db2.gz WNVHKCPXIYBQLV-UHFFFAOYSA-N -1 1 363.299 2.792 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cn3c(n2)CC[C@@H](C(F)(F)F)C3)c([O-])c1 ZINC001153956076 1028085955 /nfs/dbraw/zinc/08/59/55/1028085955.db2.gz IAPCOTAASUEDPC-SNVBAGLBSA-N -1 1 350.300 2.837 20 30 FFEDMM Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccc([O-])c(Cl)c3)CC2)o1 ZINC001154105444 1028147556 /nfs/dbraw/zinc/14/75/56/1028147556.db2.gz BWBBZZCXVLFRGZ-UHFFFAOYSA-N -1 1 374.828 2.747 20 30 FFEDMM Cc1ccn2cc(CN(C)C(=O)c3cc(=O)c4cc(C#N)ccc4[n-]3)nc2c1 ZINC001154555926 1028352417 /nfs/dbraw/zinc/35/24/17/1028352417.db2.gz MCOZXSXLWPCQPK-UHFFFAOYSA-N -1 1 371.400 2.628 20 30 FFEDMM N#Cc1ccc(N2CCC[C@H](NC(=O)c3c([O-])cccc3Cl)C2=O)cc1 ZINC000781049867 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N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC001447628416 1058682137 /nfs/dbraw/zinc/68/21/37/1058682137.db2.gz RYPITZPRXZGHKZ-INIZCTEOSA-N -1 1 369.808 2.843 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1C[C@H]2COC[C@@]2(C)C1 ZINC001520541489 1059780065 /nfs/dbraw/zinc/78/00/65/1059780065.db2.gz OSSQLNQDHHSSQD-KPZWWZAWSA-N -1 1 360.845 2.963 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001515915528 1059888770 /nfs/dbraw/zinc/88/87/70/1059888770.db2.gz UNYLWGDFQBEUDO-BETUJISGSA-N -1 1 354.458 2.986 20 30 FFEDMM C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2[O-])n1C[C@H]1CCOC1 ZINC001516205649 1059996052 /nfs/dbraw/zinc/99/60/52/1059996052.db2.gz ONTYQKQJGNUXHI-CHWSQXEVSA-N -1 1 360.845 2.799 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)OCC ZINC001475629311 1061173438 /nfs/dbraw/zinc/17/34/38/1061173438.db2.gz OSJRKUJVHLLSDC-CQSZACIVSA-N -1 1 363.838 2.796 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(F)cc2)c(F)c1 ZINC001464141523 1062444667 /nfs/dbraw/zinc/44/46/67/1062444667.db2.gz IIQPHPNEPFZZMU-UHFFFAOYSA-N -1 1 358.316 2.907 20 30 FFEDMM N#CC(=C([O-])c1ccc(-c2ncon2)cc1)c1nc(N)c2ccccc2n1 ZINC001523835435 1062632697 /nfs/dbraw/zinc/63/26/97/1062632697.db2.gz RHXPSVGKKRHSJG-AWEZNQCLSA-N -1 1 356.345 2.752 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=[S@@](C)(=O)c2cccc(F)c2)cc1C#N ZINC001439434466 1063156021 /nfs/dbraw/zinc/15/60/21/1063156021.db2.gz IFSLNTMIAWEOLM-DEOSSOPVSA-N -1 1 365.411 2.817 20 30 FFEDMM N#Cc1ccc(CN2CCN(C(=O)c3ncc4ccccc4c3[O-])CC2)cc1 ZINC001440423758 1063304662 /nfs/dbraw/zinc/30/46/62/1063304662.db2.gz RERGZUNUBRCJNM-UHFFFAOYSA-N -1 1 372.428 2.770 20 30 FFEDMM N#Cc1cccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)c1 ZINC001471420418 1064670760 /nfs/dbraw/zinc/67/07/60/1064670760.db2.gz CYBCVMXYOLBBCC-GFCCVEGCSA-N -1 1 366.255 2.600 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC001472347058 1065026572 /nfs/dbraw/zinc/02/65/72/1065026572.db2.gz YOYMMMZOSYFLMB-YWZLYKJASA-N -1 1 371.437 2.783 20 30 FFEDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1noc(C)n1 ZINC001475060766 1065689850 /nfs/dbraw/zinc/68/98/50/1065689850.db2.gz VDOMABVTKVKUBK-GFCCVEGCSA-N -1 1 374.344 2.698 20 30 FFEDMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C#CC(C)C ZINC001581043476 1078910559 /nfs/dbraw/zinc/91/05/59/1078910559.db2.gz BLTDQLIINIWWEQ-UHFFFAOYSA-N -1 1 362.393 2.960 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001569207577 1077134432 /nfs/dbraw/zinc/13/44/32/1077134432.db2.gz MSFICVYTPGYXKQ-MSOLQXFVSA-N -1 1 372.446 2.561 20 30 FFEDMM N#CCOc1ccc(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001574480035 1077999107 /nfs/dbraw/zinc/99/91/07/1077999107.db2.gz AKEBXULNPJKYTP-MRXNPFEDSA-N -1 1 369.421 2.773 20 30 FFEDMM C=C1CC(C)(c2noc(-c3cnc(C(F)(F)F)c(-c4nn[n-]n4)c3)n2)C1 ZINC001588455939 1080033533 /nfs/dbraw/zinc/03/35/33/1080033533.db2.gz FBXPJMAEQCYEKG-UHFFFAOYSA-N -1 1 363.303 2.938 20 30 FFEDMM C=C1CCC(CNC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001588462207 1080038015 /nfs/dbraw/zinc/03/80/15/1080038015.db2.gz IHIYUENVKCCSTP-UHFFFAOYSA-N -1 1 353.839 2.845 20 30 FFEDMM C=CCCCC(=O)N(C)C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588582441 1080108828 /nfs/dbraw/zinc/10/88/28/1080108828.db2.gz KZEXUTXIPCVYAA-SECBINFHSA-N -1 1 369.882 2.592 20 30 FFEDMM C=CCCCC(=O)N(C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588582441 1080108832 /nfs/dbraw/zinc/10/88/32/1080108832.db2.gz KZEXUTXIPCVYAA-SECBINFHSA-N -1 1 369.882 2.592 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(OCC#N)cc2)o1 ZINC001588781301 1080193184 /nfs/dbraw/zinc/19/31/84/1080193184.db2.gz SRUSATRNZUXTHJ-UHFFFAOYSA-N -1 1 366.385 2.717 20 30 FFEDMM CC(C)n1cc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cn1 ZINC001588781148 1080193477 /nfs/dbraw/zinc/19/34/77/1080193477.db2.gz IJTQTKURABTUHO-UHFFFAOYSA-N -1 1 357.422 2.766 20 30 FFEDMM C=CCN1CC[C@H](N(C)Cc2c(C(=O)[O-])sc3cccc(F)c32)C1=O ZINC001588838131 1080213726 /nfs/dbraw/zinc/21/37/26/1080213726.db2.gz CHGAZJNRINAOLP-ZDUSSCGKSA-N -1 1 362.426 2.957 20 30 FFEDMM CC(C)(C)OCc1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001589198827 1080412763 /nfs/dbraw/zinc/41/27/63/1080412763.db2.gz PXSFEBGCLRKHGG-UHFFFAOYSA-N -1 1 350.386 2.587 20 30 FFEDMM CC(=O)c1[nH]c(CC(=O)C(C#N)c2nc3ccccc3o2)c(C(=O)[O-])c1C ZINC001589233535 1080436653 /nfs/dbraw/zinc/43/66/53/1080436653.db2.gz IBLAQTQSKLSHLO-NSHDSACASA-N -1 1 365.345 2.784 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c(C(F)(F)F)c2)o1 ZINC001589237729 1080440206 /nfs/dbraw/zinc/44/02/06/1080440206.db2.gz DSBVUICNMGNEKT-UHFFFAOYSA-N -1 1 368.323 2.945 20 30 FFEDMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590048384 1080976592 /nfs/dbraw/zinc/97/65/92/1080976592.db2.gz GLTYXDDGJRDTDI-VIFPVBQESA-N -1 1 374.330 2.745 20 30 FFEDMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590048384 1080976600 /nfs/dbraw/zinc/97/66/00/1080976600.db2.gz GLTYXDDGJRDTDI-VIFPVBQESA-N -1 1 374.330 2.745 20 30 FFEDMM C[C@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c(C#N)cc2C1 ZINC001590280443 1081138093 /nfs/dbraw/zinc/13/80/93/1081138093.db2.gz NLZDGNSGTGPKDL-VIFPVBQESA-N -1 1 365.422 2.572 20 30 FFEDMM C[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c(C#N)cc2C1 ZINC001590280443 1081138097 /nfs/dbraw/zinc/13/80/97/1081138097.db2.gz NLZDGNSGTGPKDL-VIFPVBQESA-N -1 1 365.422 2.572 20 30 FFEDMM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)n1 ZINC000181158295 251250464 /nfs/dbraw/zinc/25/04/64/251250464.db2.gz WSFISQVWFTYWBJ-UHFFFAOYSA-N -1 1 373.825 2.808 20 30 FFEDMM N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289864309 257303524 /nfs/dbraw/zinc/30/35/24/257303524.db2.gz GRPDVCTXCHQXKW-JTQLQIEISA-N -1 1 372.322 2.620 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC=CCC2)cc1Br ZINC000331312250 258182131 /nfs/dbraw/zinc/18/21/31/258182131.db2.gz HUGVGBDPCZYILD-SNVBAGLBSA-N -1 1 359.220 2.847 20 30 FFEDMM C[C@]1(C#N)CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000612835170 520174929 /nfs/dbraw/zinc/17/49/29/520174929.db2.gz LGAWRWRJIBVBEH-CQSZACIVSA-N -1 1 370.190 2.763 20 30 FFEDMM CC(C)N(CCC#N)C(=O)c1ccc(I)c([O-])c1 ZINC000230891374 509441022 /nfs/dbraw/zinc/44/10/22/509441022.db2.gz QAPUUTHSKDNBRQ-UHFFFAOYSA-N -1 1 358.179 2.761 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1[N+](=O)[O-] ZINC000010514840 506744644 /nfs/dbraw/zinc/74/46/44/506744644.db2.gz WEQZISHXMJTYTP-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1Cl ZINC000055546055 506774255 /nfs/dbraw/zinc/77/42/55/506774255.db2.gz MYZLPNQCSDXRDB-UHFFFAOYSA-N -1 1 350.783 2.784 20 30 FFEDMM Cc1ccc(CN2C[C@@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2=O)cc1 ZINC000071869394 507722219 /nfs/dbraw/zinc/72/22/19/507722219.db2.gz ZHZVUMKWDVNYSN-NSHDSACASA-N -1 1 367.331 2.769 20 30 FFEDMM C=CCc1cc(C[N-]S(=O)(=O)c2c(C)noc2C)cc(OC)c1OC ZINC000051164480 507746868 /nfs/dbraw/zinc/74/68/68/507746868.db2.gz BZBZHKRFVXMHQZ-UHFFFAOYSA-N -1 1 366.439 2.516 20 30 FFEDMM COc1cc(NC(=O)Nc2ccc(C#N)cc2)ccc1[N-]S(C)(=O)=O ZINC000031725915 507821311 /nfs/dbraw/zinc/82/13/11/507821311.db2.gz DLTNZOUATJETEF-UHFFFAOYSA-N -1 1 360.395 2.582 20 30 FFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCCCC3)c1 ZINC000075148557 508086066 /nfs/dbraw/zinc/08/60/66/508086066.db2.gz FXHVTJYYYROFMU-OAHLLOKOSA-N -1 1 359.455 2.715 20 30 FFEDMM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000075536164 508115023 /nfs/dbraw/zinc/11/50/23/508115023.db2.gz QXQPQLLOVWVCQA-QMMMGPOBSA-N -1 1 361.349 2.928 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(F)c(C#N)c1 ZINC000102879528 508288349 /nfs/dbraw/zinc/28/83/49/508288349.db2.gz CQUWEAYLPNBABH-UHFFFAOYSA-N -1 1 353.357 2.634 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673674 508335746 /nfs/dbraw/zinc/33/57/46/508335746.db2.gz CKJJXPGIAYJTBV-UHFFFAOYSA-N -1 1 355.419 2.583 20 30 FFEDMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000150778042 508890985 /nfs/dbraw/zinc/89/09/85/508890985.db2.gz VWOBTFFUIUAEGS-UHFFFAOYSA-N -1 1 364.810 2.728 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3(C#N)CC3)ccc2C)c1 ZINC000160978339 509055947 /nfs/dbraw/zinc/05/59/47/509055947.db2.gz YWMNMWZYRCYKOQ-UHFFFAOYSA-N -1 1 369.446 2.890 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)ccc1Cl ZINC000126917163 509147036 /nfs/dbraw/zinc/14/70/36/509147036.db2.gz UKXDRZISWJAHHX-UHFFFAOYSA-N -1 1 366.830 2.630 20 30 FFEDMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000185657248 509290009 /nfs/dbraw/zinc/29/00/09/509290009.db2.gz VSFJOKNZOCHHIV-JOCHJYFZSA-N -1 1 368.867 2.891 20 30 FFEDMM C=C(C)[C@@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1ccc(F)c(F)c1 ZINC000186040545 509495880 /nfs/dbraw/zinc/49/58/80/509495880.db2.gz XRNIBGLIIUBOHI-OAHLLOKOSA-N -1 1 370.377 2.513 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(C)o1 ZINC000164798127 509535775 /nfs/dbraw/zinc/53/57/75/509535775.db2.gz KLKAOYOJDSEMFS-UHFFFAOYSA-N -1 1 354.771 2.701 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000265366525 510015082 /nfs/dbraw/zinc/01/50/82/510015082.db2.gz NIMZHHZBBRCILQ-RBZFPXEDSA-N -1 1 365.437 2.684 20 30 FFEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000174255778 510026920 /nfs/dbraw/zinc/02/69/20/510026920.db2.gz FUZCEMLUBLTPJZ-UHFFFAOYSA-N -1 1 370.434 2.676 20 30 FFEDMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000190694708 510289485 /nfs/dbraw/zinc/28/94/85/510289485.db2.gz ZMJNFPLJWONYDM-ZDUSSCGKSA-N -1 1 351.406 2.722 20 30 FFEDMM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)n1 ZINC000181164415 510290516 /nfs/dbraw/zinc/29/05/16/510290516.db2.gz FYMASNULXFPCSU-UHFFFAOYSA-N -1 1 373.825 2.808 20 30 FFEDMM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)s1 ZINC000187719967 510401414 /nfs/dbraw/zinc/40/14/14/510401414.db2.gz FAOOUEPVNVCEIF-UHFFFAOYSA-N -1 1 369.446 2.668 20 30 FFEDMM C[C@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000171842277 510402828 /nfs/dbraw/zinc/40/28/28/510402828.db2.gz CXJHRUDLHROKTP-GFCCVEGCSA-N -1 1 361.398 2.516 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(F)c1 ZINC000178810166 510784989 /nfs/dbraw/zinc/78/49/89/510784989.db2.gz RCGILPHLDVQHAW-UHFFFAOYSA-N -1 1 368.773 2.923 20 30 FFEDMM C=CCn1c([C@H](C)CC)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000282213217 510888795 /nfs/dbraw/zinc/88/87/95/510888795.db2.gz IAJYISSKVUHHHL-GFCCVEGCSA-N -1 1 373.423 2.873 20 30 FFEDMM CN(C(=O)CSc1nc(C(F)F)cc(=O)[n-]1)C1(C#N)CCCCC1 ZINC000289501814 511103052 /nfs/dbraw/zinc/10/30/52/511103052.db2.gz KUEYZMWCTKNKOW-UHFFFAOYSA-N -1 1 356.398 2.897 20 30 FFEDMM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279917854 511266215 /nfs/dbraw/zinc/26/62/15/511266215.db2.gz KKXWZOBAJHEEGD-UHFFFAOYSA-N -1 1 360.435 2.703 20 30 FFEDMM N#Cc1ccc(N2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000295652713 511473236 /nfs/dbraw/zinc/47/32/36/511473236.db2.gz DDZPDYRUPCBAJG-CVEARBPZSA-N -1 1 367.371 2.611 20 30 FFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000328429796 511888807 /nfs/dbraw/zinc/88/88/07/511888807.db2.gz USVIYUQIMXTXPQ-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1CCSC1 ZINC000329100309 511982962 /nfs/dbraw/zinc/98/29/62/511982962.db2.gz DPXSHTKCEBGGAF-LLVKDONJSA-N -1 1 356.469 2.518 20 30 FFEDMM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)[C@@]12CCCO2 ZINC000329515185 512062452 /nfs/dbraw/zinc/06/24/52/512062452.db2.gz MFGUELWGLKPDCT-KHYOSLBOSA-N -1 1 357.410 2.675 20 30 FFEDMM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c3nc(C)ccc3c2=O)[C@@]12CCCO2 ZINC000329515185 512062459 /nfs/dbraw/zinc/06/24/59/512062459.db2.gz MFGUELWGLKPDCT-KHYOSLBOSA-N -1 1 357.410 2.675 20 30 FFEDMM CCOC(=O)c1c[n-]c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)n1 ZINC000415630185 513355278 /nfs/dbraw/zinc/35/52/78/513355278.db2.gz CLWPFULMYMWIMC-UHFFFAOYSA-N -1 1 373.438 2.509 20 30 FFEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1C#N ZINC000435132353 513519638 /nfs/dbraw/zinc/51/96/38/513519638.db2.gz JBYNEGLXZVIWOG-UHFFFAOYSA-N -1 1 371.418 2.641 20 30 FFEDMM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000451115317 513533324 /nfs/dbraw/zinc/53/33/24/513533324.db2.gz OGJPXGUMXBXVFC-UHFFFAOYSA-N -1 1 367.430 2.503 20 30 FFEDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(F)F ZINC000416491568 513799932 /nfs/dbraw/zinc/79/99/32/513799932.db2.gz YHOLNRTZSORQBT-VIFPVBQESA-N -1 1 353.188 2.643 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1[O-] ZINC000442934052 513819372 /nfs/dbraw/zinc/81/93/72/513819372.db2.gz GVTLWVJKNBGWOI-UHFFFAOYSA-N -1 1 367.380 2.894 20 30 FFEDMM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000442959888 513829147 /nfs/dbraw/zinc/82/91/47/513829147.db2.gz AFOOJXZVDPDLJK-INIZCTEOSA-N -1 1 367.430 2.726 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1F ZINC000427114687 514121209 /nfs/dbraw/zinc/12/12/09/514121209.db2.gz OALBVJOUMADBQU-UHFFFAOYSA-N -1 1 373.409 2.734 20 30 FFEDMM C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000452022518 514140571 /nfs/dbraw/zinc/14/05/71/514140571.db2.gz LNZRHPQJNIZHFE-SECBINFHSA-N -1 1 357.781 2.964 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)c1 ZINC000427655658 514279189 /nfs/dbraw/zinc/27/91/89/514279189.db2.gz HVCFQOXZSKZDGE-UHFFFAOYSA-N -1 1 370.434 2.588 20 30 FFEDMM Cn1ncc2c1[n-]cc(C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)c2=O ZINC000470588870 514542710 /nfs/dbraw/zinc/54/27/10/514542710.db2.gz UPUPXTBURIFQFM-UHFFFAOYSA-N -1 1 355.442 2.902 20 30 FFEDMM C=CC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1ccccc1 ZINC000461452122 514623501 /nfs/dbraw/zinc/62/35/01/514623501.db2.gz HSSBXKJSDCWBPJ-OAHLLOKOSA-N -1 1 360.435 2.599 20 30 FFEDMM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000508067327 514652848 /nfs/dbraw/zinc/65/28/48/514652848.db2.gz IYDUOOMTENWATJ-LBPRGKRZSA-N -1 1 355.218 2.730 20 30 FFEDMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)[n-]1 ZINC000484568451 514694581 /nfs/dbraw/zinc/69/45/81/514694581.db2.gz PGNNUDHZLSGUMJ-MRVPVSSYSA-N -1 1 364.814 2.841 20 30 FFEDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000484568451 514694585 /nfs/dbraw/zinc/69/45/85/514694585.db2.gz PGNNUDHZLSGUMJ-MRVPVSSYSA-N -1 1 364.814 2.841 20 30 FFEDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(C#N)c3)c2)n[nH]1 ZINC000484609867 514707015 /nfs/dbraw/zinc/70/70/15/514707015.db2.gz AXJJVESGEKTXFN-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cc1C#N ZINC000489496014 514872277 /nfs/dbraw/zinc/87/22/77/514872277.db2.gz KLKKQERISLUYFY-CQSZACIVSA-N -1 1 373.331 2.983 20 30 FFEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccccc3CC#N)cc2)CC1 ZINC000509376520 515147177 /nfs/dbraw/zinc/14/71/77/515147177.db2.gz AOGURTOTOQSTRY-UHFFFAOYSA-N -1 1 370.430 2.758 20 30 FFEDMM C[C@@H](CC#N)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000505141930 515455025 /nfs/dbraw/zinc/45/50/25/515455025.db2.gz JCHAZXRXGUFKRO-AWEZNQCLSA-N -1 1 357.435 2.862 20 30 FFEDMM CC1(C#N)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000482599875 515734054 /nfs/dbraw/zinc/73/40/54/515734054.db2.gz AUKDEYMVIPUEAX-UHFFFAOYSA-N -1 1 373.409 2.612 20 30 FFEDMM Cc1cn(-c2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)c(=O)[nH]1 ZINC000478689358 515926971 /nfs/dbraw/zinc/92/69/71/515926971.db2.gz ZCAAQQCMOZRCLD-UHFFFAOYSA-N -1 1 354.391 2.559 20 30 FFEDMM C=C(C)[C@@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccc(F)c(F)c1 ZINC000478917361 516009186 /nfs/dbraw/zinc/00/91/86/516009186.db2.gz KFCAOKBOZPKLNE-OAHLLOKOSA-N -1 1 358.348 2.999 20 30 FFEDMM C=C[C@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000465219938 516097426 /nfs/dbraw/zinc/09/74/26/516097426.db2.gz ARJJTLDCUZOOFA-AWEZNQCLSA-N -1 1 359.451 2.861 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1Cl ZINC000507642072 516270323 /nfs/dbraw/zinc/27/03/23/516270323.db2.gz AIILVSXDUGWBOZ-UHFFFAOYSA-N -1 1 366.826 2.774 20 30 FFEDMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561513823 516627493 /nfs/dbraw/zinc/62/74/93/516627493.db2.gz LMLQTKFMWYDBCU-BONVTDFDSA-N -1 1 354.815 2.859 20 30 FFEDMM C[C@@H](C#N)CN(C(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000544882111 516975064 /nfs/dbraw/zinc/97/50/64/516975064.db2.gz SMFBJVCRQZBSRM-VIFPVBQESA-N -1 1 370.190 2.761 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(CC#N)c2ccccc2)o1 ZINC000521115610 517617736 /nfs/dbraw/zinc/61/77/36/517617736.db2.gz UGSROJOQWQYHJF-UHFFFAOYSA-N -1 1 361.423 2.527 20 30 FFEDMM Cn1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(=O)c2ccccc21 ZINC000522700826 518150784 /nfs/dbraw/zinc/15/07/84/518150784.db2.gz NUSOVGPDHLINTB-GFCCVEGCSA-N -1 1 372.306 2.837 20 30 FFEDMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000588853144 518849851 /nfs/dbraw/zinc/84/98/51/518849851.db2.gz QFFLHFRRFQGNCS-UHFFFAOYSA-N -1 1 357.435 2.645 20 30 FFEDMM Cn1ccnc1[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000589164470 518935719 /nfs/dbraw/zinc/93/57/19/518935719.db2.gz JNZLUQGMSOWIEE-KRWDZBQOSA-N -1 1 350.353 2.656 20 30 FFEDMM Cc1ccc(C(=O)NC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)s1 ZINC000589174133 518939522 /nfs/dbraw/zinc/93/95/22/518939522.db2.gz FDFWBAUADCPDEM-UHFFFAOYSA-N -1 1 369.446 2.668 20 30 FFEDMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc(C#N)n2)[nH][n-]1 ZINC000589368447 518989812 /nfs/dbraw/zinc/98/98/12/518989812.db2.gz QSVXUDPZACLUBM-UHFFFAOYSA-N -1 1 353.769 2.680 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc1C#N ZINC000577337865 519027077 /nfs/dbraw/zinc/02/70/77/519027077.db2.gz QWQDBNUDEZZDTQ-CQSZACIVSA-N -1 1 355.341 2.844 20 30 FFEDMM C[C@@H](C#N)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000609492221 520332294 /nfs/dbraw/zinc/33/22/94/520332294.db2.gz DTSNZTAPBMBANU-LBPRGKRZSA-N -1 1 361.398 2.516 20 30 FFEDMM COCCOCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000600664160 520383864 /nfs/dbraw/zinc/38/38/64/520383864.db2.gz UEGKPOVTLDZEIN-UHFFFAOYSA-N -1 1 360.435 2.716 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)n[nH]2)cc1 ZINC000610769138 520835077 /nfs/dbraw/zinc/83/50/77/520835077.db2.gz FIKJUQBCDWUXMD-UHFFFAOYSA-N -1 1 352.419 2.867 20 30 FFEDMM Cn1ccnc1[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(F)c1 ZINC000614294165 520894322 /nfs/dbraw/zinc/89/43/22/520894322.db2.gz VWUQYMFXFPFNLD-KRWDZBQOSA-N -1 1 350.353 2.656 20 30 FFEDMM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614298537 520896311 /nfs/dbraw/zinc/89/63/11/520896311.db2.gz SFOLYBQAECOBIJ-HNNXBMFYSA-N -1 1 371.824 2.935 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000614298543 520897554 /nfs/dbraw/zinc/89/75/54/520897554.db2.gz SUOLVCFQZXGJIK-UHFFFAOYSA-N -1 1 355.438 2.519 20 30 FFEDMM CSCC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nnc2ccccn21 ZINC000614357837 520924409 /nfs/dbraw/zinc/92/44/09/520924409.db2.gz INNYUFLZRDEKND-OAHLLOKOSA-N -1 1 367.434 2.531 20 30 FFEDMM COc1ccc(C2(CNC(=O)c3cc([O-])cc(C#N)c3)CCOCC2)cc1 ZINC000614365522 520928165 /nfs/dbraw/zinc/92/81/65/520928165.db2.gz QYNPXKSTJUDSHE-UHFFFAOYSA-N -1 1 366.417 2.751 20 30 FFEDMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000611226530 521045576 /nfs/dbraw/zinc/04/55/76/521045576.db2.gz PLMLISAPYBDEBB-UHFFFAOYSA-N -1 1 352.847 2.871 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)c(F)c1 ZINC000618717279 521197638 /nfs/dbraw/zinc/19/76/38/521197638.db2.gz WPIHSLURCOCYRI-INIZCTEOSA-N -1 1 364.373 2.811 20 30 FFEDMM N#Cc1cccc(CN2CCC(NC(=O)c3cc(F)c([O-])c(F)c3)CC2)c1 ZINC000593885966 521271785 /nfs/dbraw/zinc/27/17/85/521271785.db2.gz LOHNAQWDYSLSFX-UHFFFAOYSA-N -1 1 371.387 2.936 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)c1 ZINC000619462678 521581417 /nfs/dbraw/zinc/58/14/17/521581417.db2.gz ARZZICMKVLGZOK-UHFFFAOYSA-N -1 1 373.409 2.819 20 30 FFEDMM C=C(C)C[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1C(=O)Nc1ccccc1OC ZINC000633915996 523062418 /nfs/dbraw/zinc/06/24/18/523062418.db2.gz NVHOEFBSPKBPGJ-GFCCVEGCSA-N -1 1 356.426 2.942 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000735502011 598496279 /nfs/dbraw/zinc/49/62/79/598496279.db2.gz BJMJNXZVPQEBIN-LLVKDONJSA-N -1 1 366.385 2.715 20 30 FFEDMM N#Cc1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)c1 ZINC000737730036 598721538 /nfs/dbraw/zinc/72/15/38/598721538.db2.gz DQSGHAFEKPLVDE-UHFFFAOYSA-N -1 1 362.780 2.755 20 30 FFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000736076445 600899613 /nfs/dbraw/zinc/89/96/13/600899613.db2.gz PTJVXDLHNSKEJE-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740322143 602646399 /nfs/dbraw/zinc/64/63/99/602646399.db2.gz QBDBNOQGUUHPKX-UHFFFAOYSA-N -1 1 357.391 2.790 20 30 FFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3csc(CNC(=O)[O-])n3)[nH]c21 ZINC000740174178 603074287 /nfs/dbraw/zinc/07/42/87/603074287.db2.gz IISMCHFDNOYWFF-VIFPVBQESA-N -1 1 355.379 2.586 20 30 FFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H]3CSCCN3C(=O)[O-])[nH]c21 ZINC000830533721 605421038 /nfs/dbraw/zinc/42/10/38/605421038.db2.gz YQRCKSAUFHPMLT-NEPJUHHUSA-N -1 1 358.423 2.533 20 30 FFEDMM Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3CSCCN3C(=O)[O-])[nH]c21 ZINC000830533724 605421099 /nfs/dbraw/zinc/42/10/99/605421099.db2.gz YQRCKSAUFHPMLT-VXGBXAGGSA-N -1 1 358.423 2.533 20 30 FFEDMM N#Cc1ccc2ncc(CN3CCC[C@H]([C@H]4CCCN4C(=O)[O-])C3)n2c1 ZINC000833975951 605466712 /nfs/dbraw/zinc/46/67/12/605466712.db2.gz AFOZSMRCFQRTPL-DOTOQJQBSA-N -1 1 353.426 2.560 20 30 FFEDMM N#Cc1ccc2ncc(CN3CCC[C@@H]([C@@H]4CCCN4C(=O)[O-])C3)n2c1 ZINC000833975961 605468685 /nfs/dbraw/zinc/46/86/85/605468685.db2.gz AFOZSMRCFQRTPL-WBVHZDCISA-N -1 1 353.426 2.560 20 30 FFEDMM N#Cc1cccc(COc2cccc(CN3CC[C@@H](NC(=O)[O-])C3)c2)c1 ZINC000833978135 605567409 /nfs/dbraw/zinc/56/74/09/605567409.db2.gz CISDYZBFTYYDJI-GOSISDBHSA-N -1 1 351.406 2.979 20 30 FFEDMM N#Cc1ccc(CN2CCN(Cc3cccc(NC(=O)[O-])c3)CC2)cc1 ZINC000833971939 605593085 /nfs/dbraw/zinc/59/30/85/605593085.db2.gz QLHIEDSXUACOQP-UHFFFAOYSA-N -1 1 350.422 2.966 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000822924250 606391663 /nfs/dbraw/zinc/39/16/63/606391663.db2.gz ZLSRGNMEUSLULX-DAFODLJHSA-N -1 1 367.312 2.944 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc2c1OCCO2 ZINC000826178515 608092523 /nfs/dbraw/zinc/09/25/23/608092523.db2.gz AWRSYBCJSGOQRP-IHWYPQMZSA-N -1 1 370.390 2.604 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc2c1OCCO2 ZINC000826178515 608092524 /nfs/dbraw/zinc/09/25/24/608092524.db2.gz AWRSYBCJSGOQRP-IHWYPQMZSA-N -1 1 370.390 2.604 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccccc2N(C)C)o1 ZINC000823963104 608749539 /nfs/dbraw/zinc/74/95/39/608749539.db2.gz VLDAXYCDLQWBCZ-UHFFFAOYSA-N -1 1 354.418 2.880 20 30 FFEDMM C[C@@H](C#N)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824033824 609410968 /nfs/dbraw/zinc/41/09/68/609410968.db2.gz BXGDBMWXOWHINJ-NSHDSACASA-N -1 1 367.438 2.554 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCC(F)(F)F)cc2)c(=O)o1 ZINC000120830999 728616174 /nfs/dbraw/zinc/61/61/74/728616174.db2.gz RPWCCNXWXGHEOS-SZTZYQKNSA-N -1 1 354.280 2.856 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OCC(F)(F)F)c(=O)o1 ZINC000132424360 728724498 /nfs/dbraw/zinc/72/44/98/728724498.db2.gz FYLJPYXJLPHAHL-LFAOLKIESA-N -1 1 354.280 2.856 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000185322118 729346713 /nfs/dbraw/zinc/34/67/13/729346713.db2.gz JWHRDLLGPOWSNU-NSHDSACASA-N -1 1 364.373 2.517 20 30 FFEDMM C=CCCSCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859219412 730445869 /nfs/dbraw/zinc/44/58/69/730445869.db2.gz XLZZFINSJWXNPU-UHFFFAOYSA-N -1 1 369.281 2.571 20 30 FFEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cn(C2CC2)nn1 ZINC000860473660 730515645 /nfs/dbraw/zinc/51/56/45/730515645.db2.gz PGTKZOJHHDJRTI-GFCCVEGCSA-N -1 1 364.192 2.881 20 30 FFEDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccccc1O[C@H](C)C#N ZINC000779848073 738489886 /nfs/dbraw/zinc/48/98/86/738489886.db2.gz KQTORIQJFRFNLK-GFCCVEGCSA-N -1 1 360.391 2.785 20 30 FFEDMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC000867303901 731167912 /nfs/dbraw/zinc/16/79/12/731167912.db2.gz GLWOHPRYIKHIJJ-OAHLLOKOSA-N -1 1 357.501 2.764 20 30 FFEDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC2(CC1)CC(=O)C=CO2 ZINC000887775526 733974542 /nfs/dbraw/zinc/97/45/42/733974542.db2.gz ZXKOHBIHRFDZDT-UHFFFAOYSA-N -1 1 355.312 2.889 20 30 FFEDMM CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc(Cl)c1[O-] ZINC000887783496 733975573 /nfs/dbraw/zinc/97/55/73/733975573.db2.gz WOKUBNJVCRQAIB-UHFFFAOYSA-N -1 1 365.813 2.922 20 30 FFEDMM CC(C)CO[C@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000748248717 735630177 /nfs/dbraw/zinc/63/01/77/735630177.db2.gz VRMWFROWLCXNJG-HNNXBMFYSA-N -1 1 369.443 2.700 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCc2cc(Cl)ccc21 ZINC000748248284 735630209 /nfs/dbraw/zinc/63/02/09/735630209.db2.gz KQSOEMASVJJGGX-UHFFFAOYSA-N -1 1 365.798 2.877 20 30 FFEDMM COc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000748255484 735630627 /nfs/dbraw/zinc/63/06/27/735630627.db2.gz VZFKMISBENOXML-UHFFFAOYSA-N -1 1 369.786 2.569 20 30 FFEDMM CC1(C)Cc2occc2C(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000748254512 735630674 /nfs/dbraw/zinc/63/06/74/735630674.db2.gz AMAPKYOXXVATIJ-UHFFFAOYSA-N -1 1 363.395 2.843 20 30 FFEDMM CC(C)(C)C(=O)Cn1cc(C(=O)N([O-])Cc2ccccc2Cl)nn1 ZINC000904189022 736231961 /nfs/dbraw/zinc/23/19/61/736231961.db2.gz WORBUCMYQANRCA-UHFFFAOYSA-N -1 1 350.806 2.578 20 30 FFEDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C#N)sc3ccccc32)c2nccn21 ZINC000907232288 736599888 /nfs/dbraw/zinc/59/98/88/736599888.db2.gz MRAHZFAEFNOOPK-CMPLNLGQSA-N -1 1 358.448 2.954 20 30 FFEDMM C=CCC[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124489 736887868 /nfs/dbraw/zinc/88/78/68/736887868.db2.gz ZKNCYFKCGNYAAA-GJZGRUSLSA-N -1 1 353.850 2.661 20 30 FFEDMM O=C([O-])c1ccc2c(C=NN3C(=S)N=NC3c3cccs3)n[nH]c2c1 ZINC000765560013 737133555 /nfs/dbraw/zinc/13/35/55/737133555.db2.gz PDOJRQIYZFSYAW-UHFFFAOYSA-N -1 1 370.419 2.752 20 30 FFEDMM CCOc1cc(C(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000911703754 737225847 /nfs/dbraw/zinc/22/58/47/737225847.db2.gz PSYQUOVTSWQHMU-TXEJJXNPSA-N -1 1 351.834 2.503 20 30 FFEDMM CCCCCCOc1ccc(C=Nn2c(=O)cn[n-]c2=S)cc1OC ZINC000766483415 737233824 /nfs/dbraw/zinc/23/38/24/737233824.db2.gz VMDNBYSODQRDHY-UHFFFAOYSA-N -1 1 362.455 2.777 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000766483474 737233905 /nfs/dbraw/zinc/23/39/05/737233905.db2.gz XMETWYRDTUGUKF-UHFFFAOYSA-N -1 1 355.404 2.679 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCC ZINC000913438932 737405097 /nfs/dbraw/zinc/40/50/97/737405097.db2.gz ZTLHOVGYAVDXQY-CYBMUJFWSA-N -1 1 356.756 2.841 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000769644470 737549571 /nfs/dbraw/zinc/54/95/71/737549571.db2.gz AKPHNFCQLLBCNU-ZDUSSCGKSA-N -1 1 360.410 2.720 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000769656074 737550900 /nfs/dbraw/zinc/55/09/00/737550900.db2.gz SSAGJJBGDYZCJA-HNNXBMFYSA-N -1 1 356.447 2.890 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000769655625 737551165 /nfs/dbraw/zinc/55/11/65/737551165.db2.gz AVSCYHXVGXHCSK-HNNXBMFYSA-N -1 1 356.447 2.890 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncc(Br)cc1F ZINC000769673204 737552589 /nfs/dbraw/zinc/55/25/89/737552589.db2.gz WOVDGKXRLQEGKH-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000914600233 737585825 /nfs/dbraw/zinc/58/58/25/737585825.db2.gz SRVFTNCOCVVITJ-UHFFFAOYSA-N -1 1 353.325 2.778 20 30 FFEDMM Cn1c(=O)c2ccccc2nc1NN=Cc1ccc([O-])c(Br)c1 ZINC000917595741 737767663 /nfs/dbraw/zinc/76/76/63/737767663.db2.gz CTNDYFCXJNGCEO-UHFFFAOYSA-N -1 1 373.210 2.848 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)c1 ZINC000776273744 738176703 /nfs/dbraw/zinc/17/67/03/738176703.db2.gz DJWGFHVQHWOFIN-UHFFFAOYSA-N -1 1 355.415 2.673 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000778540126 738392298 /nfs/dbraw/zinc/39/22/98/738392298.db2.gz JZXMAEHOPNQICN-UHFFFAOYSA-N -1 1 365.386 2.968 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc(I)c2)n1 ZINC000788928977 739299369 /nfs/dbraw/zinc/29/93/69/739299369.db2.gz QPQCWDYBLKLHKW-UHFFFAOYSA-N -1 1 354.151 2.541 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)ccc1Cl ZINC000790350476 739441467 /nfs/dbraw/zinc/44/14/67/739441467.db2.gz HBTLQSHPQAZAJS-UHFFFAOYSA-N -1 1 361.810 2.749 20 30 FFEDMM CCNC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000794609358 739910247 /nfs/dbraw/zinc/91/02/47/739910247.db2.gz XFADXKKAIKSABX-UHFFFAOYSA-N -1 1 358.423 2.525 20 30 FFEDMM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000796098644 740101238 /nfs/dbraw/zinc/10/12/38/740101238.db2.gz XDAMWSUPTMXHDR-CQSZACIVSA-N -1 1 362.382 2.647 20 30 FFEDMM C=CCOCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000797310398 740235484 /nfs/dbraw/zinc/23/54/84/740235484.db2.gz TYHOFQMTVJOGGY-UHFFFAOYSA-N -1 1 361.419 2.847 20 30 FFEDMM C#C[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(Cl)cc1F ZINC000804416211 740870214 /nfs/dbraw/zinc/87/02/14/740870214.db2.gz BYDDZBDQCZXRAW-ZDUSSCGKSA-N -1 1 360.801 2.915 20 30 FFEDMM CCn1ncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000815909514 741972259 /nfs/dbraw/zinc/97/22/59/741972259.db2.gz BSKGMMVFJOIFEZ-NSHDSACASA-N -1 1 352.181 2.566 20 30 FFEDMM C=CCCC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000823894609 742996946 /nfs/dbraw/zinc/99/69/46/742996946.db2.gz UVYSXRRTPRORCC-SNVBAGLBSA-N -1 1 355.851 2.543 20 30 FFEDMM C=CCCC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000823894609 742996952 /nfs/dbraw/zinc/99/69/52/742996952.db2.gz UVYSXRRTPRORCC-SNVBAGLBSA-N -1 1 355.851 2.543 20 30 FFEDMM CSCC1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000834963321 745928573 /nfs/dbraw/zinc/92/85/73/745928573.db2.gz OFOZOZPQPWHYMF-UHFFFAOYSA-N -1 1 357.457 2.782 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1 ZINC000841573361 747409461 /nfs/dbraw/zinc/40/94/61/747409461.db2.gz WQVCGZHAUGNXGA-UHFFFAOYSA-N -1 1 364.210 2.874 20 30 FFEDMM N#CCCCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000847087660 748618909 /nfs/dbraw/zinc/61/89/09/748618909.db2.gz YGWKJEIMEPKAEF-ZDUSSCGKSA-N -1 1 353.344 2.707 20 30 FFEDMM C=CCn1c(Cc2csc(NC(=O)CCCOCC)n2)n[n-]c1=S ZINC000047078613 845130333 /nfs/dbraw/zinc/13/03/33/845130333.db2.gz DDIMFSLZXQSGHB-UHFFFAOYSA-N -1 1 367.500 2.929 20 30 FFEDMM C#C[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)c1ccccc1 ZINC001573281234 946674732 /nfs/dbraw/zinc/67/47/32/946674732.db2.gz WFOAWBFHWJUMJN-HNNXBMFYSA-N -1 1 372.388 2.663 20 30 FFEDMM C#C[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)c1ccccc1 ZINC001573281234 946674739 /nfs/dbraw/zinc/67/47/39/946674739.db2.gz WFOAWBFHWJUMJN-HNNXBMFYSA-N -1 1 372.388 2.663 20 30 FFEDMM C[C@@H](C#N)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001573587129 947299440 /nfs/dbraw/zinc/29/94/40/947299440.db2.gz WLUHUIVTHPZMOJ-NSHDSACASA-N -1 1 366.356 2.782 20 30 FFEDMM C[C@@H](C#N)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001573587129 947299451 /nfs/dbraw/zinc/29/94/51/947299451.db2.gz WLUHUIVTHPZMOJ-NSHDSACASA-N -1 1 366.356 2.782 20 30 FFEDMM CCC[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCN1Cc1ccccc1 ZINC001589638923 949647321 /nfs/dbraw/zinc/64/73/21/949647321.db2.gz HMLQSDCEQYBDDB-PXNSSMCTSA-N -1 1 357.454 2.504 20 30 FFEDMM N#Cc1cccc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212972911 1013429071 /nfs/dbraw/zinc/42/90/71/1013429071.db2.gz LSOZGSMTGVHHDF-UHFFFAOYSA-N -1 1 350.216 2.925 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 ZINC000901999810 979796642 /nfs/dbraw/zinc/79/66/42/979796642.db2.gz SXWKCGRFXKUJTD-UHFFFAOYSA-N -1 1 366.442 2.694 20 30 FFEDMM C#CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000764449725 984499389 /nfs/dbraw/zinc/49/93/89/984499389.db2.gz OWKUEMHBDWSBTM-UHFFFAOYSA-N -1 1 372.421 2.864 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N=C3C[C@@H](C)ON3)c2)c1 ZINC000765377514 985055708 /nfs/dbraw/zinc/05/57/08/985055708.db2.gz TZYCJXZSOKGNCG-CYBMUJFWSA-N -1 1 373.434 2.648 20 30 FFEDMM N#C[C@H](C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000172085953 985457145 /nfs/dbraw/zinc/45/71/45/985457145.db2.gz VJDVZQYDXHRMPG-JHEVNIALSA-N -1 1 369.446 2.607 20 30 FFEDMM CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1OC ZINC000111690927 987409994 /nfs/dbraw/zinc/40/99/94/987409994.db2.gz BSBCVTCQSPIBLR-WMZJFQQLSA-N -1 1 355.390 2.812 20 30 FFEDMM COCCOc1cc2c(cc1/C=C1/Oc3cc([O-])ccc3C1=O)OCO2 ZINC000920755864 990915286 /nfs/dbraw/zinc/91/52/86/990915286.db2.gz RXUVRRXIEKZZJF-CNHKJKLMSA-N -1 1 356.330 2.762 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000185303001 993273260 /nfs/dbraw/zinc/27/32/60/993273260.db2.gz PRFSFPXEKZWUOC-CQSZACIVSA-N -1 1 372.446 2.638 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000809646932 994566003 /nfs/dbraw/zinc/56/60/03/994566003.db2.gz HVFYPIYDCGYRIH-UHFFFAOYSA-N -1 1 359.426 2.641 20 30 FFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000809680800 994578546 /nfs/dbraw/zinc/57/85/46/994578546.db2.gz COWZCKWCDFOPOT-CHWSQXEVSA-N -1 1 359.426 2.734 20 30 FFEDMM C[C@@]1(C(=O)[O-])CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC001593776560 996478161 /nfs/dbraw/zinc/47/81/61/996478161.db2.gz LMPWLDHTABBPPK-GOSISDBHSA-N -1 1 363.845 2.773 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(OCC#N)cc1 ZINC000733472042 998998892 /nfs/dbraw/zinc/99/88/92/998998892.db2.gz VLFVZZXGNNXUGM-UHFFFAOYSA-N -1 1 374.418 2.708 20 30 FFEDMM Cc1cc2c(cc1C)C(=NN=C1[N-]S(=O)(=O)c3ccccc31)CCCO2 ZINC000733744913 999062542 /nfs/dbraw/zinc/06/25/42/999062542.db2.gz WFHZAXLFGGWGJE-UHFFFAOYSA-N -1 1 369.446 2.919 20 30 FFEDMM C#CCN1CCC[C@H]1C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000737492149 999807831 /nfs/dbraw/zinc/80/78/31/999807831.db2.gz APBHKQHNYSPMKP-UXHICEINSA-N -1 1 368.477 2.581 20 30 FFEDMM Cc1ccc(-n2cc(C=Nn3c(=O)cn[n-]c3=S)c(C(C)(C)C)n2)cc1 ZINC000766473819 999996411 /nfs/dbraw/zinc/99/64/11/999996411.db2.gz HAWQQAOVBKJONW-UHFFFAOYSA-N -1 1 368.466 2.601 20 30 FFEDMM O=c1nc(N=NCCCCc2cccc(C(F)(F)F)c2)nc2[nH][n-]cc1-2 ZINC000769778914 1000601039 /nfs/dbraw/zinc/60/10/39/1000601039.db2.gz GFKWDBUDGAFXCD-UHFFFAOYSA-N -1 1 364.331 2.871 20 30 FFEDMM CN(C[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1)C(=O)OC(C)(C)C ZINC000785538834 1001450818 /nfs/dbraw/zinc/45/08/18/1001450818.db2.gz KCNAHAJISKUUSR-AWEZNQCLSA-N -1 1 373.453 2.983 20 30 FFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000785600002 1001457146 /nfs/dbraw/zinc/45/71/46/1001457146.db2.gz XECOIDDAUNDDSV-DOMZBBRYSA-N -1 1 359.426 2.639 20 30 FFEDMM C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(Cl)cc1C(=O)[O-] ZINC001276199403 1016524983 /nfs/dbraw/zinc/52/49/83/1016524983.db2.gz MUZZCLCRZZYCKH-IBGZPJMESA-N -1 1 360.841 2.628 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3)c2Cl)c(=O)o1 ZINC000789128878 1001975926 /nfs/dbraw/zinc/97/59/26/1001975926.db2.gz UWNXEFMVYLUGBQ-IWAYRVGRSA-N -1 1 370.792 2.813 20 30 FFEDMM C[C@@H](C(=O)N([O-])C(=N)c1nonc1N)c1cccc(Oc2ccccc2)c1 ZINC001182737245 1002034414 /nfs/dbraw/zinc/03/44/14/1002034414.db2.gz QKRSSJUFERJNBN-LLVKDONJSA-N -1 1 367.365 2.791 20 30 FFEDMM N#Cc1c(Cl)cc(C(=O)N([O-])C(=N)c2ccccc2N)nc1Cl ZINC001184807885 1002720040 /nfs/dbraw/zinc/72/00/40/1002720040.db2.gz LXWYAWALHYSQPF-UHFFFAOYSA-N -1 1 350.165 2.699 20 30 FFEDMM Cn1cc2c(n1)CCN(C(=O)c1cc([O-])cc(-c3cccc(C#N)c3)c1)C2 ZINC001196315283 1003732905 /nfs/dbraw/zinc/73/29/05/1003732905.db2.gz AXBSWRWEYCWMDT-UHFFFAOYSA-N -1 1 358.401 2.863 20 30 FFEDMM C=C(C)C(=O)OCCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196321141 1003741231 /nfs/dbraw/zinc/74/12/31/1003741231.db2.gz VKEFYTDRHFSUMJ-UHFFFAOYSA-N -1 1 350.374 2.780 20 30 FFEDMM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196680292 1003897057 /nfs/dbraw/zinc/89/70/57/1003897057.db2.gz GVSKBLOFNNGWCL-UHFFFAOYSA-N -1 1 367.789 2.511 20 30 FFEDMM N#Cc1ccc(NC(=O)c2ccnc(OCC3CCOCC3)c2)c([O-])c1 ZINC001191883907 1003988113 /nfs/dbraw/zinc/98/81/13/1003988113.db2.gz PDRONXOWNUSRGE-UHFFFAOYSA-N -1 1 353.378 2.717 20 30 FFEDMM COc1cc([O-])ccc1C(=O)N=C(NO)c1ccc(OC(F)(F)F)cc1 ZINC001197179148 1004096908 /nfs/dbraw/zinc/09/69/08/1004096908.db2.gz FKMDCYKSZFHAQD-UHFFFAOYSA-N -1 1 370.283 2.865 20 30 FFEDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cccc(CC#N)c3)c2)o1 ZINC001192265811 1004109615 /nfs/dbraw/zinc/10/96/15/1004109615.db2.gz IOSDVPBGYWLKAC-UHFFFAOYSA-N -1 1 354.391 2.912 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n(-c2ccccc2C(F)(F)F)n1 ZINC001193105399 1004375892 /nfs/dbraw/zinc/37/58/92/1004375892.db2.gz VPTWFCRRIMLUPM-JTQLQIEISA-N -1 1 358.345 2.853 20 30 FFEDMM CC(=CN=Nc1nc2[nH][n-]cc-2c(=O)n1)Cc1cccc(C(F)(F)F)c1 ZINC000807971837 1004723613 /nfs/dbraw/zinc/72/36/13/1004723613.db2.gz CSWNYMHMZSEAAE-YNUJBFAXSA-N -1 1 362.315 2.952 20 30 FFEDMM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2cccc3nccnc32)c1F ZINC001194988578 1004865536 /nfs/dbraw/zinc/86/55/36/1004865536.db2.gz VQFLKKLFDFGIFO-UHFFFAOYSA-N -1 1 364.308 2.720 20 30 FFEDMM O=S(=O)([N-]CC#Cc1ccccc1)c1cc(Br)ccc1F ZINC001195505574 1004980459 /nfs/dbraw/zinc/98/04/59/1004980459.db2.gz UCRFIPOJLDJFPR-UHFFFAOYSA-N -1 1 368.227 2.918 20 30 FFEDMM O=c1[n-]c(=S)[nH]c(NS(=O)(=O)C2CCC2)c1N=Cc1ccccc1 ZINC001188109194 1006415938 /nfs/dbraw/zinc/41/59/38/1006415938.db2.gz VYRIGIGNRNASIB-CXUHLZMHSA-N -1 1 364.452 2.516 20 30 FFEDMM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NNCCN1CCCCC1 ZINC000814808709 1006444481 /nfs/dbraw/zinc/44/44/81/1006444481.db2.gz RHTBXHSBARJUIA-QGZVFWFLSA-N -1 1 361.486 2.923 20 30 FFEDMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001116197839 1032186142 /nfs/dbraw/zinc/18/61/42/1032186142.db2.gz JYSZVPHZFRBVES-UHFFFAOYSA-N -1 1 352.419 2.954 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1(C)C ZINC000854972924 1007048300 /nfs/dbraw/zinc/04/83/00/1007048300.db2.gz DAJLJMNWOSNHQB-GJZGRUSLSA-N -1 1 359.426 2.685 20 30 FFEDMM N#Cc1cc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)ccn1 ZINC000817293492 1007525755 /nfs/dbraw/zinc/52/57/55/1007525755.db2.gz MGSHFZNBIRGWLA-OAHLLOKOSA-N -1 1 360.339 2.563 20 30 FFEDMM CC(C)[C@@H](CCNC(=O)c1ccc(C#N)c([O-])c1)NC(=O)OC(C)(C)C ZINC000856192184 1007720294 /nfs/dbraw/zinc/72/02/94/1007720294.db2.gz RTFKHNDDSYDFGV-OAHLLOKOSA-N -1 1 361.442 2.933 20 30 FFEDMM CCOc1nc2ccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc2[nH]1 ZINC000821619970 1008480722 /nfs/dbraw/zinc/48/07/22/1008480722.db2.gz UKBMIMAOAPFBST-CQSZACIVSA-N -1 1 354.410 2.733 20 30 FFEDMM O=C(CCc1ncc[nH]1)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001177992697 1008835441 /nfs/dbraw/zinc/83/54/41/1008835441.db2.gz CAEUJCOATFTMBB-KEBDBYFISA-N -1 1 368.422 2.516 20 30 FFEDMM C#CCCOc1ccc(C(=O)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)cc1 ZINC000889787731 1010117423 /nfs/dbraw/zinc/11/74/23/1010117423.db2.gz ONZONPSLXHTMPG-MRXNPFEDSA-N -1 1 367.405 2.570 20 30 FFEDMM C#CCCOc1ccc(C(=O)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)cc1 ZINC000889787730 1010117573 /nfs/dbraw/zinc/11/75/73/1010117573.db2.gz ONZONPSLXHTMPG-INIZCTEOSA-N -1 1 367.405 2.570 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)c2ccc(C3(C#N)CC3)cc2)[n-]c1=O ZINC000889789647 1010121071 /nfs/dbraw/zinc/12/10/71/1010121071.db2.gz IPCICUTTWSEZJQ-HNNXBMFYSA-N -1 1 364.405 2.723 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)[C@H]1CCC(=O)C1 ZINC001181866114 1010287560 /nfs/dbraw/zinc/28/75/60/1010287560.db2.gz LLSYZWHMMCIIOY-KECVIQKOSA-N -1 1 356.407 2.529 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cccc1N1CCOC1=O ZINC000794590766 1010414198 /nfs/dbraw/zinc/41/41/98/1010414198.db2.gz VNMASHDDQNXMTF-UHFFFAOYSA-N -1 1 371.418 2.819 20 30 FFEDMM CCNC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000794601184 1010435347 /nfs/dbraw/zinc/43/53/47/1010435347.db2.gz DMRFYTSONWYSIZ-UHFFFAOYSA-N -1 1 372.450 2.719 20 30 FFEDMM Cn1ncc(C#N)c1N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000866143096 1010937334 /nfs/dbraw/zinc/93/73/34/1010937334.db2.gz MRNHTDKWCADCEE-LLVKDONJSA-N -1 1 363.343 2.596 20 30 FFEDMM COC(=O)c1ccc(N=NCc2ccc(O[C@H](C)C(=O)[O-])cc2)c(OC)c1 ZINC000794924504 1011002225 /nfs/dbraw/zinc/00/22/25/1011002225.db2.gz ZUQXNPUOMQFYAX-GFCCVEGCSA-N -1 1 372.377 2.780 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccccc1-n1ccnn1 ZINC000794924101 1011003364 /nfs/dbraw/zinc/00/33/64/1011003364.db2.gz USNIMAAGPMBROU-UHFFFAOYSA-N -1 1 351.366 2.810 20 30 FFEDMM Cc1cc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)ncc1C#N ZINC000870164044 1012228579 /nfs/dbraw/zinc/22/85/79/1012228579.db2.gz LXQRLHKKVAENED-UHFFFAOYSA-N -1 1 370.840 2.579 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)c3ccc(C#Cc4ccccc4)cc3)ccnc1-2 ZINC000801703292 1019265841 /nfs/dbraw/zinc/26/58/41/1019265841.db2.gz GOZGNJPOQMGGBU-UHFFFAOYSA-N -1 1 352.397 2.994 20 30 FFEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CCC(=O)N3)c2)cc1 ZINC000901674943 1019337402 /nfs/dbraw/zinc/33/74/02/1019337402.db2.gz LMVXPCLLMJRZHH-SFHVURJKSA-N -1 1 369.446 2.895 20 30 FFEDMM COC(=O)c1c(F)cccc1N=NCc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000800818544 1020568805 /nfs/dbraw/zinc/56/88/05/1020568805.db2.gz CSJMMSQBQKISAU-LLVKDONJSA-N -1 1 360.341 2.910 20 30 FFEDMM C[C@H](CCCc1ccccc1)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001116476593 1021236007 /nfs/dbraw/zinc/23/60/07/1021236007.db2.gz QTJLSSUWUGIIKK-CQSZACIVSA-N -1 1 356.447 2.911 20 30 FFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn(CCC(C)C)nn1 ZINC000158732823 1022561126 /nfs/dbraw/zinc/56/11/26/1022561126.db2.gz HZNWLEVKLFHIDN-AWEZNQCLSA-N -1 1 369.425 2.684 20 30 FFEDMM N#Cc1csc(CN[C@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)n1 ZINC001119550495 1022852463 /nfs/dbraw/zinc/85/24/63/1022852463.db2.gz HLYMEUVEUFGECP-VIFPVBQESA-N -1 1 355.341 2.608 20 30 FFEDMM C#C[C@H](CC)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000754379639 1023462654 /nfs/dbraw/zinc/46/26/54/1023462654.db2.gz QNNYLAOYYWTEBY-MRXNPFEDSA-N -1 1 374.437 2.697 20 30 FFEDMM C#CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000191152422 1023771115 /nfs/dbraw/zinc/77/11/15/1023771115.db2.gz YRFHAIFHGFBKOI-UHFFFAOYSA-N -1 1 372.446 2.591 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001121498904 1023812719 /nfs/dbraw/zinc/81/27/19/1023812719.db2.gz JSFKJNXSGRMAED-GFCCVEGCSA-N -1 1 370.457 2.508 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N1CCC[C@H]1C ZINC001121633521 1023893954 /nfs/dbraw/zinc/89/39/54/1023893954.db2.gz ISTBQTFEGNVPPH-CYBMUJFWSA-N -1 1 363.425 2.677 20 30 FFEDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC(C)(C#N)CC2)c1 ZINC000779878953 1025218204 /nfs/dbraw/zinc/21/82/04/1025218204.db2.gz PMAMDKUGFUZARM-UHFFFAOYSA-N -1 1 371.481 2.553 20 30 FFEDMM N#Cc1ccc(-c2ccc(F)cc2)nc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001159185329 1027299824 /nfs/dbraw/zinc/29/98/24/1027299824.db2.gz SEPWXYVAPUEUCZ-UHFFFAOYSA-N -1 1 363.312 2.532 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1N1CCNC1=O ZINC000782506962 1029724259 /nfs/dbraw/zinc/72/42/59/1029724259.db2.gz IEPHYCXNLILAFH-UHFFFAOYSA-N -1 1 370.434 2.506 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])C[C@H]1C#N ZINC001142524900 1030577755 /nfs/dbraw/zinc/57/77/55/1030577755.db2.gz PCFBKBKNRNNYER-GFCCVEGCSA-N -1 1 353.369 2.615 20 30 FFEDMM C#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])C(C)C ZINC000799103343 1031651783 /nfs/dbraw/zinc/65/17/83/1031651783.db2.gz GZEBXRSGFJGZNA-MOPGFXCFSA-N -1 1 364.445 2.924 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1cc([O-])cc(C#N)c1 ZINC000830572596 1033687654 /nfs/dbraw/zinc/68/76/54/1033687654.db2.gz ZVOHFYZEAUNQPJ-SJORKVTESA-N -1 1 371.437 2.878 20 30 FFEDMM C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1cc([O-])ccc1C(C)=O ZINC001225615710 1034336176 /nfs/dbraw/zinc/33/61/76/1034336176.db2.gz DCTVURREONPSHZ-UHFFFAOYSA-N -1 1 362.378 2.581 20 30 FFEDMM C=C[C@@H](Oc1cc([O-])cc(O)c1C(=O)CCc1ccc(O)cc1)C(=O)OC ZINC001225942198 1034463325 /nfs/dbraw/zinc/46/33/25/1034463325.db2.gz MVYVUTMQANJAFX-QGZVFWFLSA-N -1 1 372.373 2.725 20 30 FFEDMM CON1CCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000834957318 1035481785 /nfs/dbraw/zinc/48/17/85/1035481785.db2.gz ZTOVSNGJRZSPPT-UHFFFAOYSA-N -1 1 374.466 2.913 20 30 FFEDMM Cc1nn(C)c(OCC(F)(F)F)c1C=NNc1ccc(C(=O)[O-])cc1F ZINC000835012332 1035487298 /nfs/dbraw/zinc/48/72/98/1035487298.db2.gz OWHKAIWKQMOFBF-UHFFFAOYSA-N -1 1 374.294 2.953 20 30 FFEDMM O=C1C=C[C@H](Oc2cc([O-])cc3c2C(=O)C[C@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228191671 1035984796 /nfs/dbraw/zinc/98/47/96/1035984796.db2.gz RCBLQRLOUINPNS-SUMWQHHRSA-N -1 1 368.341 2.786 20 30 FFEDMM O=C1CC[C@@H](COc2cc(/C=C3\Oc4cc([O-])ccc4C3=O)ccc2O)O1 ZINC001229208862 1036554813 /nfs/dbraw/zinc/55/48/13/1036554813.db2.gz RJWHXKHPTHWAIK-WUQDTEKSSA-N -1 1 368.341 2.798 20 30 FFEDMM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1[O-] ZINC001233386499 1036587880 /nfs/dbraw/zinc/58/78/80/1036587880.db2.gz WIEIMGSHOOZEFD-UHFFFAOYSA-N -1 1 354.406 2.838 20 30 FFEDMM O=C(/C=C/c1ccc(O)c(O)c1)c1ccc([O-])cc1OC[C@@H]1CCC(=O)O1 ZINC001229587484 1036764699 /nfs/dbraw/zinc/76/46/99/1036764699.db2.gz XIXRPQOAQBTNQN-UWTJGZSJSA-N -1 1 370.357 2.784 20 30 FFEDMM Cc1cc([O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1[N+](=O)[O-] ZINC001229750474 1036870422 /nfs/dbraw/zinc/87/04/22/1036870422.db2.gz NSCGVOMZFUKHEB-ABAIWWIYSA-N -1 1 363.370 2.747 20 30 FFEDMM C#C[C@@H](C)Oc1c(-c2ccc(O)c(O)c2)oc2cc(OC)cc([O-])c2c1=O ZINC001229789991 1036900048 /nfs/dbraw/zinc/90/00/48/1036900048.db2.gz CODWBYMOWRWDRP-SNVBAGLBSA-N -1 1 368.341 2.986 20 30 FFEDMM C#CC[C@@H](CC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790762 1036900480 /nfs/dbraw/zinc/90/04/80/1036900480.db2.gz JHTDNFFOMKNRMU-LLVKDONJSA-N -1 1 358.346 2.626 20 30 FFEDMM CCOC(=O)c1cc([O-])c(Br)c(OC2=C(C)O[C@H](C)C2=O)c1 ZINC001234063633 1036900746 /nfs/dbraw/zinc/90/07/46/1036900746.db2.gz YWRXLJGGZKRAHJ-SSDOTTSWSA-N -1 1 371.183 2.930 20 30 FFEDMM C=C1O[C@@H](CC)C(=O)C1Oc1c(C(=O)OC)nc(-c2ccccc2)[n-]c1=O ZINC001234553790 1037085380 /nfs/dbraw/zinc/08/53/80/1037085380.db2.gz HAGBELFVBVXLEJ-LBPRGKRZSA-N -1 1 370.361 2.624 20 30 FFEDMM CC[C@@H]1OC(C)=C(Oc2c(=O)[n-]c(-c3ccccc3)nc2C(=O)OC)C1=O ZINC001234553790 1037085398 /nfs/dbraw/zinc/08/53/98/1037085398.db2.gz HAGBELFVBVXLEJ-LBPRGKRZSA-N -1 1 370.361 2.624 20 30 FFEDMM C#CC(C#C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1c(O)cccc1O)O2 ZINC001234722917 1037156122 /nfs/dbraw/zinc/15/61/22/1037156122.db2.gz HACBNWJNRDMPBK-SFHVURJKSA-N -1 1 350.326 2.524 20 30 FFEDMM C=C[C@@H]1O[C@@H](Oc2cccnc2-c2ncccc2[O-])[C@H]2OC(C)(C)O[C@@H]12 ZINC001231203773 1037498671 /nfs/dbraw/zinc/49/86/71/1037498671.db2.gz MAPSEXIGKOSATL-JUKXBJQTSA-N -1 1 356.378 2.659 20 30 FFEDMM Cc1cc(C)c(S(=O)(=O)[N-]c2nc(C#N)c(C#N)nc2Cl)c(C)c1 ZINC001251465693 1039144740 /nfs/dbraw/zinc/14/47/40/1039144740.db2.gz VSPDHZGQSFGTLC-UHFFFAOYSA-N -1 1 361.814 2.599 20 30 FFEDMM CC1(C)CC(=O)Nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC001258126455 1039203159 /nfs/dbraw/zinc/20/31/59/1039203159.db2.gz MIIMHQXHHHJKSU-UHFFFAOYSA-N -1 1 355.419 2.979 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(CO)cs3)c2)cc1 ZINC001258136430 1039213970 /nfs/dbraw/zinc/21/39/70/1039213970.db2.gz WPCDQZLOZQFUSG-UHFFFAOYSA-N -1 1 371.443 2.975 20 30 FFEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ncc(C#N)cc1Br ZINC001258921138 1039587309 /nfs/dbraw/zinc/58/73/09/1039587309.db2.gz FZINBEZZOXROJR-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM N#Cc1ccccc1OCCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258950069 1039610691 /nfs/dbraw/zinc/61/06/91/1039610691.db2.gz IEZXQRJGUUWSSK-UHFFFAOYSA-N -1 1 352.362 2.584 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2F)Cc2ccccc2C1 ZINC001259463176 1040028688 /nfs/dbraw/zinc/02/86/88/1040028688.db2.gz XJHXKADGEXZADP-UHFFFAOYSA-N -1 1 350.802 2.819 20 30 FFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1C#N ZINC001259500828 1040068172 /nfs/dbraw/zinc/06/81/72/1040068172.db2.gz IQHPAQVLENOIPM-UHFFFAOYSA-N -1 1 369.324 2.735 20 30 FFEDMM C[C@@](C#N)([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1Cl ZINC001259852451 1040244980 /nfs/dbraw/zinc/24/49/80/1040244980.db2.gz UZBBPZVPTYFEKL-INIZCTEOSA-N -1 1 364.810 2.786 20 30 FFEDMM COc1cc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(C(C)=O)cc1OC ZINC001260043445 1040372520 /nfs/dbraw/zinc/37/25/20/1040372520.db2.gz RWXNLRFDPNSCEL-UHFFFAOYSA-N -1 1 374.418 2.720 20 30 FFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260332245 1040525455 /nfs/dbraw/zinc/52/54/55/1040525455.db2.gz OUGVHYCRHVWGFR-LBPRGKRZSA-N -1 1 352.200 2.808 20 30 FFEDMM N#Cc1ccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])c(Cl)c1 ZINC001214000050 1041149101 /nfs/dbraw/zinc/14/91/01/1041149101.db2.gz LIGCKMUUUKCVLL-UHFFFAOYSA-N -1 1 351.771 2.927 20 30 FFEDMM COc1ncc(Nc2sc(C)c(C)c2C#N)cc1[N-]S(C)(=O)=O ZINC001216152019 1041964218 /nfs/dbraw/zinc/96/42/18/1041964218.db2.gz LVQPBUCPGJHICI-UHFFFAOYSA-N -1 1 352.441 2.755 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(CC)CCSC ZINC001262943075 1041979510 /nfs/dbraw/zinc/97/95/10/1041979510.db2.gz GIZWLDIRYLUMMX-UHFFFAOYSA-N -1 1 360.487 2.693 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(c2ccco2)CC1 ZINC001262990583 1042015005 /nfs/dbraw/zinc/01/50/05/1042015005.db2.gz HSBFQQZFLMBRDE-UHFFFAOYSA-N -1 1 359.821 2.880 20 30 FFEDMM CN(C(N)=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC001309461059 1043400440 /nfs/dbraw/zinc/40/04/40/1043400440.db2.gz RRPREDJYQYEILF-UHFFFAOYSA-N -1 1 372.450 2.803 20 30 FFEDMM C=CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C(=O)OC ZINC001309864269 1043562343 /nfs/dbraw/zinc/56/23/43/1043562343.db2.gz RXRNYHNDCNBKQW-JTQLQIEISA-N -1 1 367.254 2.565 20 30 FFEDMM COc1cnc(C2(NC(=O)Nc3cccc(CC#N)c3)CCCC2)[n-]c1=O ZINC001310750764 1043732016 /nfs/dbraw/zinc/73/20/16/1043732016.db2.gz DKGNBSZZBSQVDN-UHFFFAOYSA-N -1 1 367.409 2.848 20 30 FFEDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1Cl ZINC001318965281 1044962061 /nfs/dbraw/zinc/96/20/61/1044962061.db2.gz CBPRZHPXGBTTPL-UHFFFAOYSA-N -1 1 363.826 2.566 20 30 FFEDMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)ccc2o1 ZINC001319022202 1044987353 /nfs/dbraw/zinc/98/73/53/1044987353.db2.gz DMQLTBMBJZBLLC-UHFFFAOYSA-N -1 1 371.418 2.884 20 30 FFEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cn2)n1 ZINC001319037049 1044996396 /nfs/dbraw/zinc/99/63/96/1044996396.db2.gz DJCBHFWZANKSEU-UHFFFAOYSA-N -1 1 367.434 2.751 20 30 FFEDMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001319338692 1045115669 /nfs/dbraw/zinc/11/56/69/1045115669.db2.gz NMIFLVQOSPHLPY-CYBMUJFWSA-N -1 1 373.434 2.527 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001318175357 1045235034 /nfs/dbraw/zinc/23/50/34/1045235034.db2.gz HRGATHSFWYRYHC-ZIAGYGMSSA-N -1 1 360.822 2.709 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(C)cc1C ZINC001320668875 1045446174 /nfs/dbraw/zinc/44/61/74/1045446174.db2.gz RBWNYDMTLUFLED-UHFFFAOYSA-N -1 1 358.419 2.957 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1N1CCCC1=O ZINC001321099222 1045545018 /nfs/dbraw/zinc/54/50/18/1045545018.db2.gz DFUVYLHNXRVOGV-UHFFFAOYSA-N -1 1 369.446 2.989 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001321816456 1045816122 /nfs/dbraw/zinc/81/61/22/1045816122.db2.gz GVKBCWIJZDWSCJ-VHSXEESVSA-N -1 1 360.357 2.620 20 30 FFEDMM Cn1nncc1N=NCc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001324207610 1045917635 /nfs/dbraw/zinc/91/76/35/1045917635.db2.gz PDRISNJCTAGTJM-UHFFFAOYSA-N -1 1 351.366 2.538 20 30 FFEDMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cccc(C#N)c2C)n[n-]1 ZINC001328619880 1048383935 /nfs/dbraw/zinc/38/39/35/1048383935.db2.gz BCQUVJKNEGTHQI-OAHLLOKOSA-N -1 1 369.425 2.679 20 30 FFEDMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cccc(C#N)c2C)[n-]1 ZINC001328619880 1048383943 /nfs/dbraw/zinc/38/39/43/1048383943.db2.gz BCQUVJKNEGTHQI-OAHLLOKOSA-N -1 1 369.425 2.679 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cccc(C#N)c2C)n1 ZINC001328619880 1048383949 /nfs/dbraw/zinc/38/39/49/1048383949.db2.gz BCQUVJKNEGTHQI-OAHLLOKOSA-N -1 1 369.425 2.679 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1c1cc(C)ccc1C ZINC001342106791 1050700893 /nfs/dbraw/zinc/70/08/93/1050700893.db2.gz MXKYKIDOFNRUIM-INIZCTEOSA-N -1 1 364.457 2.526 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1c1cc(C)ccc1C ZINC001342106791 1050700905 /nfs/dbraw/zinc/70/09/05/1050700905.db2.gz MXKYKIDOFNRUIM-INIZCTEOSA-N -1 1 364.457 2.526 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](OCC)C1 ZINC001342302605 1050896864 /nfs/dbraw/zinc/89/68/64/1050896864.db2.gz GZOHYJVRBKWKQH-AWEZNQCLSA-N -1 1 370.457 2.509 20 30 FFEDMM CC(C)Cn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCO[C@H](C#N)C1 ZINC001342895856 1051506602 /nfs/dbraw/zinc/50/66/02/1051506602.db2.gz SWZJSTZGYPHVMN-CYBMUJFWSA-N -1 1 361.833 2.689 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC001343667555 1052365024 /nfs/dbraw/zinc/36/50/24/1052365024.db2.gz DWVJBFHPXDQRJG-UHFFFAOYSA-N -1 1 372.379 2.791 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2cc(C)ccc2C1 ZINC001343668905 1052365348 /nfs/dbraw/zinc/36/53/48/1052365348.db2.gz MJBZSJVTAYSONK-UHFFFAOYSA-N -1 1 350.426 2.821 20 30 FFEDMM CN1CCN(c2ccc(/C=C/C(=O)c3ccc(CC(=O)[O-])cc3)cc2)CC1 ZINC001337117961 1054494266 /nfs/dbraw/zinc/49/42/66/1054494266.db2.gz LLXWYFJYRDSLRK-IZZDOVSWSA-N -1 1 364.445 2.962 20 30 FFEDMM CN1CCN(c2ccc(/C=C\C(=O)c3ccc(CC(=O)[O-])cc3)cc2)CC1 ZINC001337117964 1054494343 /nfs/dbraw/zinc/49/43/43/1054494343.db2.gz LLXWYFJYRDSLRK-WDZFZDKYSA-N -1 1 364.445 2.962 20 30 FFEDMM Cc1c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ccc2cncn21 ZINC001348139830 1054688135 /nfs/dbraw/zinc/68/81/35/1054688135.db2.gz QERKHNQYRGZXSW-KRWDZBQOSA-N -1 1 366.808 2.935 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001356026900 1055225745 /nfs/dbraw/zinc/22/57/45/1055225745.db2.gz AUJUTXXZJJWXLF-OAHLLOKOSA-N -1 1 372.473 2.593 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)Cc1ccoc1 ZINC001338863756 1055882453 /nfs/dbraw/zinc/88/24/53/1055882453.db2.gz RHIDGWMHGNGYRI-UHFFFAOYSA-N -1 1 352.398 2.734 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(CC)[C@H]1CCCOC1 ZINC001338863813 1055882793 /nfs/dbraw/zinc/88/27/93/1055882793.db2.gz SOCFQUHGBKJSRG-AWEZNQCLSA-N -1 1 370.457 2.509 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CC[C@@]2(CCOC2=O)C1 ZINC001339158864 1056151445 /nfs/dbraw/zinc/15/14/45/1056151445.db2.gz TVRILNOCWXXHBB-GOSISDBHSA-N -1 1 374.828 2.634 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(C)CCC ZINC001339597610 1056622286 /nfs/dbraw/zinc/62/22/86/1056622286.db2.gz AJOLBVVGDHCECY-UHFFFAOYSA-N -1 1 351.414 2.535 20 30 FFEDMM C#C[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3[O-])n2CCOC)C1 ZINC001514580319 1058995335 /nfs/dbraw/zinc/99/53/35/1058995335.db2.gz AONYQWWEYUAUEP-ZDUSSCGKSA-N -1 1 360.845 2.800 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCO[C@@](C)(CC)C1 ZINC001520478599 1059714934 /nfs/dbraw/zinc/71/49/34/1059714934.db2.gz DQLWJPGALGUROB-KRWDZBQOSA-N -1 1 363.849 2.890 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@]2(CCOC2)C1 ZINC001520479316 1059716304 /nfs/dbraw/zinc/71/63/04/1059716304.db2.gz QGXMLJKZEKTPJO-QGZVFWFLSA-N -1 1 361.833 2.502 20 30 FFEDMM Cn1ccnc1C(C#N)=C([O-])c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001515837321 1059832437 /nfs/dbraw/zinc/83/24/37/1059832437.db2.gz OHYRMQYZOBETTH-ZDUSSCGKSA-N -1 1 367.359 2.863 20 30 FFEDMM C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001522057050 1061527271 /nfs/dbraw/zinc/52/72/71/1061527271.db2.gz WDLMXPXQVCQXEU-LUQKVYGDSA-N -1 1 371.481 2.891 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(OCCC(C)C)CC1 ZINC001524183551 1062747086 /nfs/dbraw/zinc/74/70/86/1062747086.db2.gz WZYNMIKMLNUYNQ-UHFFFAOYSA-N -1 1 374.489 2.981 20 30 FFEDMM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001472622318 1065114615 /nfs/dbraw/zinc/11/46/15/1065114615.db2.gz ITMZIMPRFWRAMY-SFHVURJKSA-N -1 1 368.405 2.570 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC001583834215 1079272036 /nfs/dbraw/zinc/27/20/36/1079272036.db2.gz JUTOONFKHHUEMH-UHFFFAOYSA-N -1 1 368.462 2.768 20 30 FFEDMM C#C[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC001557178486 1075818791 /nfs/dbraw/zinc/81/87/91/1075818791.db2.gz ONRDNCKZWLNPPR-IBGZPJMESA-N -1 1 372.428 2.976 20 30 FFEDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)s1 ZINC001561167960 1076341486 /nfs/dbraw/zinc/34/14/86/1076341486.db2.gz JZAFWHXUJLKXMN-SNVBAGLBSA-N -1 1 351.409 2.876 20 30 FFEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)c3ncc4ccccc4c3[O-])C2)nc1 ZINC001569818552 1077167912 /nfs/dbraw/zinc/16/79/12/1077167912.db2.gz SXTLOUYKLKHCGO-HNNXBMFYSA-N -1 1 360.373 2.501 20 30 FFEDMM C=CCC1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2CC)CCC1 ZINC001573303648 1077664560 /nfs/dbraw/zinc/66/45/60/1077664560.db2.gz FSVNEXNNFBHRDQ-LSDHHAIUSA-N -1 1 357.454 2.643 20 30 FFEDMM C#CCN(Cc1nc(-c2nnn[n-]2)cs1)[C@H]1CCCc2ccccc21 ZINC001588351906 1079991439 /nfs/dbraw/zinc/99/14/39/1079991439.db2.gz PHQUQTNGKYPBRC-INIZCTEOSA-N -1 1 350.451 2.836 20 30 FFEDMM C#CCN(Cc1nc(-c2nn[n-]n2)cs1)[C@H]1CCCc2ccccc21 ZINC001588351906 1079991445 /nfs/dbraw/zinc/99/14/45/1079991445.db2.gz PHQUQTNGKYPBRC-INIZCTEOSA-N -1 1 350.451 2.836 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001588400776 1080011142 /nfs/dbraw/zinc/01/11/42/1080011142.db2.gz FUZKKRGHZNKKFO-RNCFNFMXSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001588400776 1080011148 /nfs/dbraw/zinc/01/11/48/1080011148.db2.gz FUZKKRGHZNKKFO-RNCFNFMXSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)CN(Cc1ccccc1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588425936 1080023314 /nfs/dbraw/zinc/02/33/14/1080023314.db2.gz BWOIPKMWOBKFDR-UHFFFAOYSA-N -1 1 369.454 2.611 20 30 FFEDMM C=C(C)CN(Cc1ccccc1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588425936 1080023325 /nfs/dbraw/zinc/02/33/25/1080023325.db2.gz BWOIPKMWOBKFDR-UHFFFAOYSA-N -1 1 369.454 2.611 20 30 FFEDMM C=C(C)CN(Cc1ccc(CO)o1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588426028 1080024079 /nfs/dbraw/zinc/02/40/79/1080024079.db2.gz HIJCNADOWGPVJP-UHFFFAOYSA-N -1 1 366.834 2.645 20 30 FFEDMM C=C[C@@H](CC)CC(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001588521579 1080075562 /nfs/dbraw/zinc/07/55/62/1080075562.db2.gz PSPNBEOAEDVGCN-NFOMZHRRSA-N -1 1 370.457 2.670 20 30 FFEDMM C=CC[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1ccncc1 ZINC001588548007 1080090229 /nfs/dbraw/zinc/09/02/29/1080090229.db2.gz BFZVMMGXFSJTEQ-AWEZNQCLSA-N -1 1 359.393 2.790 20 30 FFEDMM C=CC[C@H]1CCCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001588561327 1080097790 /nfs/dbraw/zinc/09/77/90/1080097790.db2.gz ZPRSOKXQBGPFHT-QMMMGPOBSA-N -1 1 353.839 2.797 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001588703952 1080161843 /nfs/dbraw/zinc/16/18/43/1080161843.db2.gz HDDWCBQGRSCBNK-YPMHNXCESA-N -1 1 354.418 2.529 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001588703952 1080161846 /nfs/dbraw/zinc/16/18/46/1080161846.db2.gz HDDWCBQGRSCBNK-YPMHNXCESA-N -1 1 354.418 2.529 20 30 FFEDMM C=CCCOCC(=O)Nc1nc2c(cc(C(=O)[O-])cc2Br)[nH]1 ZINC001588810184 1080204840 /nfs/dbraw/zinc/20/48/40/1080204840.db2.gz AZHJTPNYYVKIAK-UHFFFAOYSA-N -1 1 368.187 2.555 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(C(F)F)nc2)o1 ZINC001589238043 1080440084 /nfs/dbraw/zinc/44/00/84/1080440084.db2.gz LXBKFTPZFJAXJH-UHFFFAOYSA-N -1 1 362.344 2.931 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(O)c2Cl)o1 ZINC001589664687 1080658756 /nfs/dbraw/zinc/65/87/56/1080658756.db2.gz UURZNPFHGWEQDT-UHFFFAOYSA-N -1 1 361.793 2.858 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc3c(c2)CCCN3C)o1 ZINC001589773478 1080729704 /nfs/dbraw/zinc/72/97/04/1080729704.db2.gz DFAQMJXPRFGASX-UHFFFAOYSA-N -1 1 366.429 2.807 20 30 FFEDMM CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC12CC(C(=O)[O-])C2 ZINC001589866758 1080815621 /nfs/dbraw/zinc/81/56/21/1080815621.db2.gz PWPVHCBYIFQXGW-BATSVXPKSA-N -1 1 370.449 2.813 20 30 FFEDMM CC(C)c1ccc(O[C@@H](C)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001589880011 1080828847 /nfs/dbraw/zinc/82/88/47/1080828847.db2.gz XMXQDADQNHDLLD-LBPRGKRZSA-N -1 1 364.413 2.531 20 30 FFEDMM CC(C)c1ccc(O[C@@H](C)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001589880011 1080828855 /nfs/dbraw/zinc/82/88/55/1080828855.db2.gz XMXQDADQNHDLLD-LBPRGKRZSA-N -1 1 364.413 2.531 20 30 FFEDMM CCOC(=O)c1sc([N-]C(=O)c2csc(COC)n2)c(C#N)c1C ZINC000065048917 506253301 /nfs/dbraw/zinc/25/33/01/506253301.db2.gz IMULRAIWOGBNTQ-UHFFFAOYSA-N -1 1 365.436 2.960 20 30 FFEDMM N#CCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368989810 512170944 /nfs/dbraw/zinc/17/09/44/512170944.db2.gz CMZCUKKZEMVEMW-SFHVURJKSA-N -1 1 365.433 2.960 20 30 FFEDMM CO[C@H](C)c1nc(=NC2CCC(Oc3ccc(C#N)cn3)CC2)s[n-]1 ZINC000369213754 512286062 /nfs/dbraw/zinc/28/60/62/512286062.db2.gz IJCZIKFZJTXNPJ-LMWSTFAQSA-N -1 1 359.455 2.736 20 30 FFEDMM C=CCOC(=O)c1sc2[n-]c(CC(=O)OCCCC)nc(=O)c2c1C ZINC000046703576 507177441 /nfs/dbraw/zinc/17/74/41/507177441.db2.gz FDTTZFWFMMYDFU-UHFFFAOYSA-N -1 1 364.423 2.522 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F ZINC000057124242 507178913 /nfs/dbraw/zinc/17/89/13/507178913.db2.gz FQYZAEMUWHGYMI-UHFFFAOYSA-N -1 1 350.371 2.523 20 30 FFEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)ccc21 ZINC000063878655 507778279 /nfs/dbraw/zinc/77/82/79/507778279.db2.gz AKPFMEPYDPWMNP-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCC#N)cc1 ZINC000078541267 507881875 /nfs/dbraw/zinc/88/18/75/507881875.db2.gz HRFBBIQPGIZNTQ-UHFFFAOYSA-N -1 1 359.455 2.769 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000076936194 508263942 /nfs/dbraw/zinc/26/39/42/508263942.db2.gz FVLKBBZNBIXIMW-UHFFFAOYSA-N -1 1 352.419 2.912 20 30 FFEDMM C=CCN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000154210606 508736888 /nfs/dbraw/zinc/73/68/88/508736888.db2.gz KPHZZTLQHCUNGW-UHFFFAOYSA-N -1 1 362.426 2.813 20 30 FFEDMM CCOCc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124198026 508795575 /nfs/dbraw/zinc/79/55/75/508795575.db2.gz HTJKTMWAKFGEFQ-UHFFFAOYSA-N -1 1 366.389 2.851 20 30 FFEDMM N#CC1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000147184245 508856016 /nfs/dbraw/zinc/85/60/16/508856016.db2.gz ASVKDABLEMSUEF-UHFFFAOYSA-N -1 1 369.446 2.863 20 30 FFEDMM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000126641990 509106209 /nfs/dbraw/zinc/10/62/09/509106209.db2.gz WLLASXRXNWULHL-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)CCCCC2)no1 ZINC000264036369 509295538 /nfs/dbraw/zinc/29/55/38/509295538.db2.gz CGVWPQBTHIOKIJ-UHFFFAOYSA-N -1 1 364.402 2.527 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000267212157 509395407 /nfs/dbraw/zinc/39/54/07/509395407.db2.gz FVCFCTPWXDREKF-KRWDZBQOSA-N -1 1 365.437 2.684 20 30 FFEDMM N#Cc1cccnc1-n1cc(NC(=O)c2c[nH]nc2-c2ccsc2)cn1 ZINC000189130851 509427172 /nfs/dbraw/zinc/42/71/72/509427172.db2.gz ZXLLSSRNEORAGH-UHFFFAOYSA-N -1 1 361.390 2.843 20 30 FFEDMM CN1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2CC1=O ZINC000193459627 509923676 /nfs/dbraw/zinc/92/36/76/509923676.db2.gz OAXUIJDKBPITBR-UHFFFAOYSA-N -1 1 361.810 2.531 20 30 FFEDMM N#Cc1c[nH]c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000177533288 510119790 /nfs/dbraw/zinc/11/97/90/510119790.db2.gz UYVATZWBHOEAMZ-UHFFFAOYSA-N -1 1 366.402 2.939 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000194616755 510447353 /nfs/dbraw/zinc/44/73/53/510447353.db2.gz OOZADHJMKHVMNP-UHFFFAOYSA-N -1 1 360.435 2.754 20 30 FFEDMM N#Cc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1[O-] ZINC000188372456 510734573 /nfs/dbraw/zinc/73/45/73/510734573.db2.gz VHIZTDMMUCIQNY-UHFFFAOYSA-N -1 1 368.780 2.940 20 30 FFEDMM N#C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000188450506 510772661 /nfs/dbraw/zinc/77/26/61/510772661.db2.gz GMQVELPNWYGUJR-SNVBAGLBSA-N -1 1 367.148 2.997 20 30 FFEDMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc21 ZINC000172589728 510809321 /nfs/dbraw/zinc/80/93/21/510809321.db2.gz JIIXNSCQMDLNJE-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)NC(=O)NC(C)(C)C ZINC000330672266 511006115 /nfs/dbraw/zinc/00/61/15/511006115.db2.gz GCSAIZADCGOMNB-ZCFIWIBFSA-N -1 1 366.365 2.510 20 30 FFEDMM C#CC[C@H](Cc1ccccc1)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000286015143 511017623 /nfs/dbraw/zinc/01/76/23/511017623.db2.gz ZGHIDVZBFMECQQ-MRXNPFEDSA-N -1 1 369.490 2.896 20 30 FFEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289657856 511107682 /nfs/dbraw/zinc/10/76/82/511107682.db2.gz BIYOBYRUBGGUQP-SSDOTTSWSA-N -1 1 352.199 2.872 20 30 FFEDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc21 ZINC000279933467 511272141 /nfs/dbraw/zinc/27/21/41/511272141.db2.gz LQXKAGKEHRJYTR-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(CC#N)cc1 ZINC000363025658 511304579 /nfs/dbraw/zinc/30/45/79/511304579.db2.gz ONAYWJRMAFDFOL-UHFFFAOYSA-N -1 1 359.389 2.800 20 30 FFEDMM N#CCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000273530336 511530235 /nfs/dbraw/zinc/53/02/35/511530235.db2.gz KJCOQWXBKKSNIJ-UHFFFAOYSA-N -1 1 355.616 2.824 20 30 FFEDMM C[C@H](C#N)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000302038811 511704948 /nfs/dbraw/zinc/70/49/48/511704948.db2.gz GXOVWGCUDYNYAH-GFCCVEGCSA-N -1 1 360.395 2.967 20 30 FFEDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000327471399 511877006 /nfs/dbraw/zinc/87/70/06/511877006.db2.gz XWBUZSDQTIQYNM-UHFFFAOYSA-N -1 1 374.296 2.978 20 30 FFEDMM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)s1 ZINC000328896478 511948039 /nfs/dbraw/zinc/94/80/39/511948039.db2.gz WVYXCGVSPCWWMI-UHFFFAOYSA-N -1 1 355.445 2.933 20 30 FFEDMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CCSC1 ZINC000329100310 511983584 /nfs/dbraw/zinc/98/35/84/511983584.db2.gz DPXSHTKCEBGGAF-NSHDSACASA-N -1 1 356.469 2.518 20 30 FFEDMM COC(=O)c1c[n-]c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)n1 ZINC000274918437 511987907 /nfs/dbraw/zinc/98/79/07/511987907.db2.gz MIMKHTPYJMDIHO-UHFFFAOYSA-N -1 1 372.450 2.852 20 30 FFEDMM Cc1ccc2c([O-])c(C(=O)NCCC(=O)N3CCCCCC3)cnc2n1 ZINC000329557997 512070795 /nfs/dbraw/zinc/07/07/95/512070795.db2.gz QPSOTDHUQLQSGO-UHFFFAOYSA-N -1 1 356.426 2.741 20 30 FFEDMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCC(=O)N1CCCCCC1)c2=O ZINC000329557997 512070799 /nfs/dbraw/zinc/07/07/99/512070799.db2.gz QPSOTDHUQLQSGO-UHFFFAOYSA-N -1 1 356.426 2.741 20 30 FFEDMM N#CC(CCc1ccccc1)=C([O-])N=c1ccn(CCC(F)(F)F)[nH]1 ZINC000425104826 513412881 /nfs/dbraw/zinc/41/28/81/513412881.db2.gz WIEPOMOLYMZQFJ-CQSZACIVSA-N -1 1 350.344 2.968 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000447678621 513539343 /nfs/dbraw/zinc/53/93/43/513539343.db2.gz LBSYINMBACJKMH-IBGZPJMESA-N -1 1 356.426 2.867 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000435592578 513627139 /nfs/dbraw/zinc/62/71/39/513627139.db2.gz LYELUSMCBZBBSN-MFKMUULPSA-N -1 1 360.819 2.508 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)ccc1C#N ZINC000435739459 513673735 /nfs/dbraw/zinc/67/37/35/513673735.db2.gz XPIGLMMNQJYICB-QGZVFWFLSA-N -1 1 358.419 2.835 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)(F)F ZINC000416495138 513801009 /nfs/dbraw/zinc/80/10/09/513801009.db2.gz LOURCMMRSIEHEL-ZETCQYMHSA-N -1 1 353.188 2.643 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCCC2)o1 ZINC000416509106 513810485 /nfs/dbraw/zinc/81/04/85/513810485.db2.gz QAFAGLIEIPYNIY-QGZVFWFLSA-N -1 1 360.435 2.724 20 30 FFEDMM C=CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000442965428 513830375 /nfs/dbraw/zinc/83/03/75/513830375.db2.gz MKWNYDBDFHJOAK-AWEZNQCLSA-N -1 1 374.404 2.629 20 30 FFEDMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@H+]1CCCC[C@@H]1C ZINC000443101385 513872402 /nfs/dbraw/zinc/87/24/02/513872402.db2.gz CORKOZCRLGBSEB-STQMWFEESA-N -1 1 355.891 2.753 20 30 FFEDMM Cc1cnc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c([O-])c1 ZINC000426996973 514087190 /nfs/dbraw/zinc/08/71/90/514087190.db2.gz GUNNHBOINJUISF-AWEZNQCLSA-N -1 1 354.385 2.505 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1F ZINC000427120139 514122764 /nfs/dbraw/zinc/12/27/64/514122764.db2.gz ABHPYJPSMUQOGQ-UHFFFAOYSA-N -1 1 368.361 2.662 20 30 FFEDMM C=CCN(C(=O)c1ncc(C)cc1[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC000444371877 514213688 /nfs/dbraw/zinc/21/36/88/514213688.db2.gz NXXWTUDJWVQKBZ-QGZVFWFLSA-N -1 1 368.433 2.898 20 30 FFEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444994910 514384807 /nfs/dbraw/zinc/38/48/07/514384807.db2.gz FRYXJBUDGGFDKU-UHFFFAOYSA-N -1 1 354.366 2.865 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000475808126 514818387 /nfs/dbraw/zinc/81/83/87/514818387.db2.gz IVQOMITWQJSKCW-UHFFFAOYSA-N -1 1 355.419 2.828 20 30 FFEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(C)c1 ZINC000475810081 514819088 /nfs/dbraw/zinc/81/90/88/514819088.db2.gz MFEGIRQAIJPAKW-UHFFFAOYSA-N -1 1 357.435 2.612 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(Cl)cn1 ZINC000509780165 515322231 /nfs/dbraw/zinc/32/22/31/515322231.db2.gz BYGYNWRQHFGLDR-MRVPVSSYSA-N -1 1 357.769 2.924 20 30 FFEDMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)no1 ZINC000477138139 515344810 /nfs/dbraw/zinc/34/48/10/515344810.db2.gz GXNQEBNRCYSVIQ-UHFFFAOYSA-N -1 1 372.381 2.534 20 30 FFEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1C#N ZINC000477322139 515412137 /nfs/dbraw/zinc/41/21/37/515412137.db2.gz VJUKAIDCVACCCH-UHFFFAOYSA-N -1 1 360.391 2.875 20 30 FFEDMM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000505127540 515452837 /nfs/dbraw/zinc/45/28/37/515452837.db2.gz CYZVCIBMNQOLNU-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM N#CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000477611496 515526175 /nfs/dbraw/zinc/52/61/75/515526175.db2.gz PPJAVOCLFLHDGJ-UHFFFAOYSA-N -1 1 365.798 2.699 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000463789563 515617438 /nfs/dbraw/zinc/61/74/38/515617438.db2.gz KLUGZQBPRYJANX-GFCCVEGCSA-N -1 1 374.418 2.631 20 30 FFEDMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1F ZINC000478683309 515924507 /nfs/dbraw/zinc/92/45/07/515924507.db2.gz YHHQBUCIFBEDIN-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(Cl)ccc32)o1 ZINC000557831967 516460164 /nfs/dbraw/zinc/46/01/64/516460164.db2.gz JWGQMIVFEGTCON-CYBMUJFWSA-N -1 1 352.799 2.997 20 30 FFEDMM CC(C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000544614670 516838499 /nfs/dbraw/zinc/83/84/99/516838499.db2.gz IWDZXJHMHFWKMN-UHFFFAOYSA-N -1 1 355.616 2.822 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c(F)c1 ZINC000537753003 517328813 /nfs/dbraw/zinc/32/88/13/517328813.db2.gz KAFRNUYYXVGARN-UHFFFAOYSA-N -1 1 361.276 2.618 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1OCCO ZINC000542055714 517363263 /nfs/dbraw/zinc/36/32/63/517363263.db2.gz DQKIWAIANCUPRJ-UHFFFAOYSA-N -1 1 366.826 2.692 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)cc1Br ZINC000562784518 517396685 /nfs/dbraw/zinc/39/66/85/517396685.db2.gz AYQGPKMCLNZGRK-DFAYQTQMSA-N -1 1 373.247 2.927 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC(F)(F)F)o1 ZINC000553438866 517714416 /nfs/dbraw/zinc/71/44/16/517714416.db2.gz AGOGCJSEVGZIPE-UHFFFAOYSA-N -1 1 360.313 2.571 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000538940255 517855708 /nfs/dbraw/zinc/85/57/08/517855708.db2.gz KILZIKMXBOZLKG-UHFFFAOYSA-N -1 1 372.446 2.728 20 30 FFEDMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553895576 517958240 /nfs/dbraw/zinc/95/82/40/517958240.db2.gz PKKWCUYZWCUZTR-HYVNUMGLSA-N -1 1 360.435 2.781 20 30 FFEDMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000535137077 518156576 /nfs/dbraw/zinc/15/65/76/518156576.db2.gz GPWWMTLLWTXJLE-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM CCC[N@H+](C)[C@H](CNC(=O)N=c1[nH]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000588258923 518762975 /nfs/dbraw/zinc/76/29/75/518762975.db2.gz OMURKICXCVCPCH-MRXNPFEDSA-N -1 1 374.876 2.572 20 30 FFEDMM Cn1ccnc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000589164471 518935781 /nfs/dbraw/zinc/93/57/81/518935781.db2.gz JNZLUQGMSOWIEE-QGZVFWFLSA-N -1 1 350.353 2.656 20 30 FFEDMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2cccnc2)no1 ZINC000589175800 518940462 /nfs/dbraw/zinc/94/04/62/518940462.db2.gz YLJHILHKCNZEDN-MRXNPFEDSA-N -1 1 363.377 2.836 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000589172647 518940871 /nfs/dbraw/zinc/94/08/71/518940871.db2.gz WGSXIJGWIMOHTI-UHFFFAOYSA-N -1 1 355.438 2.565 20 30 FFEDMM CCOC(=O)CN(CCc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589194426 518947913 /nfs/dbraw/zinc/94/79/13/518947913.db2.gz TVJDHQIUMXILJV-UHFFFAOYSA-N -1 1 352.390 2.512 20 30 FFEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)nn1-c1ccc(F)cc1F ZINC000589527481 519024715 /nfs/dbraw/zinc/02/47/15/519024715.db2.gz OXYVERPMDLEFNW-UHFFFAOYSA-N -1 1 354.316 2.710 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000590497364 519248040 /nfs/dbraw/zinc/24/80/40/519248040.db2.gz MTRUFTZZPYAJIT-UHFFFAOYSA-N -1 1 354.381 2.925 20 30 FFEDMM COC(=O)C[C@](C)(NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(F)c1 ZINC000616172515 519931669 /nfs/dbraw/zinc/93/16/69/519931669.db2.gz GEJGRDQOZVZJIT-IBGZPJMESA-N -1 1 356.353 2.611 20 30 FFEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000617037209 520296728 /nfs/dbraw/zinc/29/67/28/520296728.db2.gz JLZMVJZJRABIDX-QAPCUYQASA-N -1 1 366.465 2.934 20 30 FFEDMM CO[C@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)COCc1ccccc1 ZINC000597990582 520364304 /nfs/dbraw/zinc/36/43/04/520364304.db2.gz ADTYNQZHCWGTHO-HXUWFJFHSA-N -1 1 354.406 2.616 20 30 FFEDMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)cc1C ZINC000595322189 520407765 /nfs/dbraw/zinc/40/77/65/520407765.db2.gz NAMLBEHXPMLTRZ-CQSZACIVSA-N -1 1 362.407 2.698 20 30 FFEDMM C[C@]1(C#N)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000598405127 520602071 /nfs/dbraw/zinc/60/20/71/520602071.db2.gz IKOBLIWWFKWFMR-LJQANCHMSA-N -1 1 369.446 2.863 20 30 FFEDMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000598739364 520818105 /nfs/dbraw/zinc/81/81/05/520818105.db2.gz CGZRIUUUTKMHTM-SFHVURJKSA-N -1 1 352.390 2.510 20 30 FFEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000593203003 520822697 /nfs/dbraw/zinc/82/26/97/520822697.db2.gz CMTHTNWHDBPPFF-UHFFFAOYSA-N -1 1 369.446 2.574 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 ZINC000614293656 520895379 /nfs/dbraw/zinc/89/53/79/520895379.db2.gz SCVIUFCXDCGOHF-UHFFFAOYSA-N -1 1 353.359 2.897 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000614297008 520897061 /nfs/dbraw/zinc/89/70/61/520897061.db2.gz IMEBEQFGIPAIJC-LJQANCHMSA-N -1 1 350.374 2.916 20 30 FFEDMM CCc1[n-][nH]c(=NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1Br ZINC000594304160 521548194 /nfs/dbraw/zinc/54/81/94/521548194.db2.gz CPTJXHZCOVMXIX-JTQLQIEISA-N -1 1 361.243 2.845 20 30 FFEDMM C[C@H]1CN(c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cn2)C[C@H](C)O1 ZINC000619450327 521574849 /nfs/dbraw/zinc/57/48/49/521574849.db2.gz BQWGVNOGNIVABE-STQMWFEESA-N -1 1 352.394 2.525 20 30 FFEDMM C=CCOc1c(Cl)cc(CNC2(c3nnn[n-]3)CCCC2)cc1OC ZINC000628232209 523429660 /nfs/dbraw/zinc/42/96/60/523429660.db2.gz QETOOBCWBNOCBJ-UHFFFAOYSA-N -1 1 363.849 2.986 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735504313 599003850 /nfs/dbraw/zinc/00/38/50/599003850.db2.gz MVKNOKRFPHQNLU-NSHDSACASA-N -1 1 365.422 2.766 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735504313 599003853 /nfs/dbraw/zinc/00/38/53/599003853.db2.gz MVKNOKRFPHQNLU-NSHDSACASA-N -1 1 365.422 2.766 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cccc(OC(F)(F)F)c2)o1 ZINC000735450995 598492009 /nfs/dbraw/zinc/49/20/09/598492009.db2.gz MEFVXQXZNQYTDD-UHFFFAOYSA-N -1 1 367.291 2.898 20 30 FFEDMM FC(F)(F)c1nc2ccccc2c(N=NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000822728300 599335348 /nfs/dbraw/zinc/33/53/48/599335348.db2.gz FYHWUXXUCQZRAX-UHFFFAOYSA-N -1 1 374.286 2.868 20 30 FFEDMM FC(F)(F)c1nc2ccccc2c(N=NCc2ccc(-c3nn[n-]n3)o2)n1 ZINC000822728300 599335349 /nfs/dbraw/zinc/33/53/49/599335349.db2.gz FYHWUXXUCQZRAX-UHFFFAOYSA-N -1 1 374.286 2.868 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736108978 600296877 /nfs/dbraw/zinc/29/68/77/600296877.db2.gz YSVBWQQDWXJDFE-GOEBONIOSA-N -1 1 362.495 2.838 20 30 FFEDMM C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc(C#N)cc1 ZINC000827728006 600692390 /nfs/dbraw/zinc/69/23/90/600692390.db2.gz OMVQZPWJSJHHFR-ABAIWWIYSA-N -1 1 355.419 2.774 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000827217382 601172950 /nfs/dbraw/zinc/17/29/50/601172950.db2.gz CLQCIMQJJFTJCM-XIKOKIGWSA-N -1 1 361.467 2.862 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000827217710 601509085 /nfs/dbraw/zinc/50/90/85/601509085.db2.gz IMHCGIHHVXBIJO-BFHYXJOUSA-N -1 1 361.467 2.672 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000740129964 602531101 /nfs/dbraw/zinc/53/11/01/602531101.db2.gz IEYPYQDWMGWWDZ-SJORKVTESA-N -1 1 372.469 2.562 20 30 FFEDMM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccn1 ZINC000740304034 602670846 /nfs/dbraw/zinc/67/08/46/602670846.db2.gz PRQWWXQOMPNQAU-CABCVRRESA-N -1 1 366.377 2.518 20 30 FFEDMM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000825893661 603560177 /nfs/dbraw/zinc/56/01/77/603560177.db2.gz AKTWIVUUYHXIDY-YJYMSZOUSA-N -1 1 369.425 2.914 20 30 FFEDMM N#CC(C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])c1ccc2ccccc2n1 ZINC000831065230 604215420 /nfs/dbraw/zinc/21/54/20/604215420.db2.gz PTJXVIXXNJGHPM-CABCVRRESA-N -1 1 353.378 2.570 20 30 FFEDMM COc1cc2c(cc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1)O[C@H](C)C2 ZINC000832102780 604778064 /nfs/dbraw/zinc/77/80/64/604778064.db2.gz IKBJXTDOKHXSOY-BLVKFPJESA-N -1 1 352.390 2.806 20 30 FFEDMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000833421667 604953583 /nfs/dbraw/zinc/95/35/83/604953583.db2.gz XFUACYZSYHMXKP-ZDUSSCGKSA-N -1 1 363.845 2.973 20 30 FFEDMM C=CCOc1ccc(CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1Cl ZINC000833377978 605727383 /nfs/dbraw/zinc/72/73/83/605727383.db2.gz UBWDEQRTZQJLJE-ZFWWWQNUSA-N -1 1 367.829 2.743 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)c(C(F)(F)F)c2)o1 ZINC000826323234 607886971 /nfs/dbraw/zinc/88/69/71/607886971.db2.gz WANWYAMWTXYAIE-UHFFFAOYSA-N -1 1 355.255 2.767 20 30 FFEDMM C#CCOc1ccccc1[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000823862123 608184740 /nfs/dbraw/zinc/18/47/40/608184740.db2.gz XRXJKFXFAQSPAK-LLVKDONJSA-N -1 1 354.391 2.858 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826177397 609160956 /nfs/dbraw/zinc/16/09/56/609160956.db2.gz GSWGISIXVWULQB-UHFFFAOYSA-N -1 1 370.344 2.549 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(C#N)cc2F)o1 ZINC000823962502 609275676 /nfs/dbraw/zinc/27/56/76/609275676.db2.gz KUFACGJZTDXLMB-UHFFFAOYSA-N -1 1 368.376 2.900 20 30 FFEDMM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000158611376 728891125 /nfs/dbraw/zinc/89/11/25/728891125.db2.gz LSDVLFYLLKYTBV-UHFFFAOYSA-N -1 1 351.771 2.598 20 30 FFEDMM C#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000018837662 727831118 /nfs/dbraw/zinc/83/11/18/727831118.db2.gz JIYDVCQJOQCSGD-UHFFFAOYSA-N -1 1 366.801 2.643 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)s1 ZINC000746492427 735488085 /nfs/dbraw/zinc/48/80/85/735488085.db2.gz SLKWRHKLIRUGNR-UHFFFAOYSA-N -1 1 353.425 2.808 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)c1 ZINC000108250326 728520420 /nfs/dbraw/zinc/52/04/20/728520420.db2.gz BXNPAEIDIWMVNQ-UHFFFAOYSA-N -1 1 358.419 2.848 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000185310441 729346423 /nfs/dbraw/zinc/34/64/23/729346423.db2.gz JZOFCSHEGPAUBM-OAHLLOKOSA-N -1 1 356.447 2.856 20 30 FFEDMM C#CCCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000192023257 729421119 /nfs/dbraw/zinc/42/11/19/729421119.db2.gz AJYGPSHTLAAOEK-UHFFFAOYSA-N -1 1 356.447 2.907 20 30 FFEDMM CNS(=O)(=O)c1cccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)c1 ZINC000255513109 729642006 /nfs/dbraw/zinc/64/20/06/729642006.db2.gz OZGKBGRZNHRAFT-ALCCZGGFSA-N -1 1 351.811 2.850 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCC(F)(F)F)c2)c(=O)o1 ZINC000255899324 729648843 /nfs/dbraw/zinc/64/88/43/729648843.db2.gz FFWDVHVZBADWFZ-YVACAVLKSA-N -1 1 354.280 2.856 20 30 FFEDMM CC(C)c1csc(C(C#N)=C([O-])c2cnc3c(c2)NC(=O)CN3C)n1 ZINC000860582281 730526836 /nfs/dbraw/zinc/52/68/36/730526836.db2.gz SEBMNPSNWFGQDP-NSHDSACASA-N -1 1 355.423 2.540 20 30 FFEDMM N#CCC1CCN(C(=O)c2ccc(I)cc2[O-])CC1 ZINC000867312235 731169168 /nfs/dbraw/zinc/16/91/68/731169168.db2.gz ANGRITDUVCUAEF-UHFFFAOYSA-N -1 1 370.190 2.763 20 30 FFEDMM C=CCn1c([C@H](C)CC)nnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871053690 731590496 /nfs/dbraw/zinc/59/04/96/731590496.db2.gz GBXLDNRNFVQJFB-ABAIWWIYSA-N -1 1 359.396 2.625 20 30 FFEDMM COc1ccc(C[C@H](C)C=Nn2c(=O)cn[n-]c2=S)cc1C(C)(C)C ZINC000872370830 731757809 /nfs/dbraw/zinc/75/78/09/731757809.db2.gz FXERSSWIWCUCBV-LBPRGKRZSA-N -1 1 360.483 2.946 20 30 FFEDMM C=CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccncc1 ZINC000881905065 733133241 /nfs/dbraw/zinc/13/32/41/733133241.db2.gz QLRKCWMNPRCNLK-QMHKHESXSA-N -1 1 371.528 2.964 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c(C)c1F ZINC000782911415 738763314 /nfs/dbraw/zinc/76/33/14/738763314.db2.gz ZQEISTLUVJDIBR-UHFFFAOYSA-N -1 1 350.371 2.846 20 30 FFEDMM C[C@@](C#N)(NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000730360460 734633109 /nfs/dbraw/zinc/63/31/09/734633109.db2.gz GZFASPQDGOVCHD-HNNXBMFYSA-N -1 1 357.193 2.664 20 30 FFEDMM O=c1nc(NN=Cc2ccc(Cl)c(C(F)(F)F)c2)nc2[nH][n-]cc1-2 ZINC000731155804 734668627 /nfs/dbraw/zinc/66/86/27/734668627.db2.gz UAQUEFOYJHQVMR-UHFFFAOYSA-N -1 1 356.695 2.550 20 30 FFEDMM C#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000733287720 734804214 /nfs/dbraw/zinc/80/42/14/734804214.db2.gz NTJDUAWUQMDLCZ-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM CO[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000733320943 734809042 /nfs/dbraw/zinc/80/90/42/734809042.db2.gz WSCKFAVZZLGHFD-SECBINFHSA-N -1 1 369.258 2.700 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)cc1[O-] ZINC000928356032 738859711 /nfs/dbraw/zinc/85/97/11/738859711.db2.gz DEJOEDFNTYCWDE-CYBMUJFWSA-N -1 1 373.210 2.794 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)cc1[O-] ZINC000928356033 738859782 /nfs/dbraw/zinc/85/97/82/738859782.db2.gz DEJOEDFNTYCWDE-ZDUSSCGKSA-N -1 1 373.210 2.794 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(SC(F)F)cc1 ZINC000734980274 734924399 /nfs/dbraw/zinc/92/43/99/734924399.db2.gz YJRFEBRUXWBBIJ-UHFFFAOYSA-N -1 1 350.354 2.583 20 30 FFEDMM CCO[C@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C12CCCCC2 ZINC000741460028 735144627 /nfs/dbraw/zinc/14/46/27/735144627.db2.gz JXMOFOPZWCAMHO-INIZCTEOSA-N -1 1 361.467 2.840 20 30 FFEDMM C[C@@H]1CCc2c(F)cccc2C1=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000748251568 735630099 /nfs/dbraw/zinc/63/00/99/735630099.db2.gz XUKAXUCMDPMGNI-LLVKDONJSA-N -1 1 357.410 2.851 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)c(C)c1O ZINC000748248249 735630243 /nfs/dbraw/zinc/63/02/43/735630243.db2.gz JYOPMGUYQZNCIO-UHFFFAOYSA-N -1 1 363.395 2.620 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCSc2ccccc21 ZINC000748255121 735630679 /nfs/dbraw/zinc/63/06/79/735630679.db2.gz MEKBVQVEDGIELY-UHFFFAOYSA-N -1 1 363.420 2.773 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000748254846 735630772 /nfs/dbraw/zinc/63/07/72/735630772.db2.gz JLQZKAQTXQBBKP-UHFFFAOYSA-N -1 1 353.787 2.951 20 30 FFEDMM COc1ccc(C=Nn2nnc3c2CCCC3)c(Br)c1[O-] ZINC000901331486 735767851 /nfs/dbraw/zinc/76/78/51/735767851.db2.gz QDYYKAGDUKHEPT-UHFFFAOYSA-N -1 1 351.204 2.516 20 30 FFEDMM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000901639101 735810800 /nfs/dbraw/zinc/81/08/00/735810800.db2.gz ITJOLVOEFAVAIA-UHFFFAOYSA-N -1 1 360.410 2.885 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccnn2CC2CCC2)c(F)cc1C#N ZINC000901939341 735874070 /nfs/dbraw/zinc/87/40/70/735874070.db2.gz CGNHFQFTHFDSMG-UHFFFAOYSA-N -1 1 364.402 2.503 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC2CCC(C#N)CC2)o1 ZINC000755952605 736292700 /nfs/dbraw/zinc/29/27/00/736292700.db2.gz IOVVZUOVTAHUMF-UHFFFAOYSA-N -1 1 368.455 2.843 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c([O-])cccc2Cl)[C@@H](C#N)C1 ZINC000756893978 736371270 /nfs/dbraw/zinc/37/12/70/736371270.db2.gz LBGZPSGRNWPBGE-JQWIXIFHSA-N -1 1 365.817 2.534 20 30 FFEDMM C=C(Cl)C[C@H](NC(=O)NC[C@H](c1ccco1)N(CC)CC)C(=O)[O-] ZINC000908876700 736850466 /nfs/dbraw/zinc/85/04/66/736850466.db2.gz ZRVKFIZXBJYOKY-QWHCGFSZSA-N -1 1 357.838 2.558 20 30 FFEDMM C=CCC[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124488 736887975 /nfs/dbraw/zinc/88/79/75/736887975.db2.gz ZKNCYFKCGNYAAA-CABCVRRESA-N -1 1 353.850 2.661 20 30 FFEDMM N#C[C@@H](C(=O)C1=CCOCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000768553474 737432602 /nfs/dbraw/zinc/43/26/02/737432602.db2.gz VOTNKPOUGFMHRH-LBPRGKRZSA-N -1 1 355.419 2.799 20 30 FFEDMM O=C1Nc2cc(Br)ccc2C1=N[N-]c1cncc(Cl)n1 ZINC000914556787 737583270 /nfs/dbraw/zinc/58/32/70/737583270.db2.gz GHXQOHOIYOKNIN-UHFFFAOYSA-N -1 1 352.579 2.661 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2c[nH]c3cc(Cl)ccc23)c2ccccc21 ZINC000918713268 737819390 /nfs/dbraw/zinc/81/93/90/737819390.db2.gz XHMAIVVZQCXNHV-UHFFFAOYSA-N -1 1 358.810 2.894 20 30 FFEDMM COc1c([O-])c(C=NNC(=S)Nc2ccccc2F)ccc1[N+](=O)[O-] ZINC000773005251 737863169 /nfs/dbraw/zinc/86/31/69/737863169.db2.gz LFBLPGBMWXGMQQ-UHFFFAOYSA-N -1 1 364.358 2.769 20 30 FFEDMM COc1c([O-])c(C=NNc2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000773054624 737866849 /nfs/dbraw/zinc/86/68/49/737866849.db2.gz LZZJYZUZJFXSGV-UHFFFAOYSA-N -1 1 367.159 2.913 20 30 FFEDMM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1C ZINC000773979476 737950732 /nfs/dbraw/zinc/95/07/32/737950732.db2.gz ILOXMJTZCAMUFN-SECBINFHSA-N -1 1 367.192 2.697 20 30 FFEDMM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000921463293 737988366 /nfs/dbraw/zinc/98/83/66/737988366.db2.gz JJWNFVOFNAHKLO-CQSZACIVSA-N -1 1 370.446 2.678 20 30 FFEDMM C[C@]1(c2ccccc2)NC(=O)N(N=Cc2c([O-])ccc(Cl)c2F)C1=O ZINC000790151406 739422847 /nfs/dbraw/zinc/42/28/47/739422847.db2.gz ZYNCGPRJACVDJT-QGZVFWFLSA-N -1 1 361.760 2.986 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000794576736 739906416 /nfs/dbraw/zinc/90/64/16/739906416.db2.gz MVDCZMJXHUVYBO-UHFFFAOYSA-N -1 1 355.419 2.680 20 30 FFEDMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000794591274 739907831 /nfs/dbraw/zinc/90/78/31/739907831.db2.gz XAEJBQOSOLCXCU-UHFFFAOYSA-N -1 1 364.810 2.993 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000795884408 740075319 /nfs/dbraw/zinc/07/53/19/740075319.db2.gz ZYBWQISQLQSBHQ-UHFFFAOYSA-N -1 1 364.250 2.862 20 30 FFEDMM CC#CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805828732 741016115 /nfs/dbraw/zinc/01/61/15/741016115.db2.gz ASQPKKGUTQDZBR-HOCLYGCPSA-N -1 1 354.372 2.903 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c1 ZINC000809630381 741324003 /nfs/dbraw/zinc/32/40/03/741324003.db2.gz UXRYRVLDKBNVJM-OAHLLOKOSA-N -1 1 350.296 2.746 20 30 FFEDMM COc1cccc(S(C)(=O)=O)c1N=NCc1cccc([O-])c1Cl ZINC000814905379 741874067 /nfs/dbraw/zinc/87/40/67/741874067.db2.gz FFTCZZMIDVATNV-UHFFFAOYSA-N -1 1 354.815 2.904 20 30 FFEDMM C=CCC(F)(F)C(=O)[N-][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000817045434 742083672 /nfs/dbraw/zinc/08/36/72/742083672.db2.gz ZXWXCNNKPDFSMB-NSHDSACASA-N -1 1 352.150 2.949 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c(F)cc1Cl ZINC000831986085 745615156 /nfs/dbraw/zinc/61/51/56/745615156.db2.gz MSPDWYKMCHAFEO-UWVGGRQHSA-N -1 1 374.821 2.626 20 30 FFEDMM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825497 745908665 /nfs/dbraw/zinc/90/86/65/745908665.db2.gz LHQPKGVDGNBCCE-KRWDZBQOSA-N -1 1 352.818 2.923 20 30 FFEDMM CCN(CCC#N)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836738978 746294735 /nfs/dbraw/zinc/29/47/35/746294735.db2.gz QUNLVNGUTAQFPX-UHFFFAOYSA-N -1 1 356.348 2.941 20 30 FFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000840536841 747119980 /nfs/dbraw/zinc/11/99/80/747119980.db2.gz BSCZYEAUWNSRQV-CABCVRRESA-N -1 1 356.388 2.993 20 30 FFEDMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000844826564 748109503 /nfs/dbraw/zinc/10/95/03/748109503.db2.gz VVVRBSRONLHXDZ-VIFPVBQESA-N -1 1 366.668 2.714 20 30 FFEDMM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000846549747 748500544 /nfs/dbraw/zinc/50/05/44/748500544.db2.gz LFDTWGYMTSWHLN-WCQYABFASA-N -1 1 356.344 2.676 20 30 FFEDMM N#CC1(CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCCC1 ZINC000847096074 748621099 /nfs/dbraw/zinc/62/10/99/748621099.db2.gz AIPBYSWGAZRZPF-UHFFFAOYSA-N -1 1 359.392 2.768 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CCOCC1 ZINC000851828194 749691770 /nfs/dbraw/zinc/69/17/70/749691770.db2.gz VXMYMACICGTZIF-ZDUSSCGKSA-N -1 1 366.241 2.839 20 30 FFEDMM C#Cc1cccc(NC(=S)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC000853052518 749997010 /nfs/dbraw/zinc/99/70/10/749997010.db2.gz VOSVJAVLHQMQNM-RISCZKNCSA-N -1 1 369.412 2.754 20 30 FFEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000393785937 845861297 /nfs/dbraw/zinc/86/12/97/845861297.db2.gz MBQHUAJHQQZQLD-SNVBAGLBSA-N -1 1 363.233 2.990 20 30 FFEDMM C=C[C@@H](CC(=O)N(C)c1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001573316440 947274898 /nfs/dbraw/zinc/27/48/98/947274898.db2.gz GZRYIVJBKKRISF-LBPRGKRZSA-N -1 1 354.439 2.954 20 30 FFEDMM C=C[C@@H](CC(=O)N(C)c1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001573316440 947274909 /nfs/dbraw/zinc/27/49/09/947274909.db2.gz GZRYIVJBKKRISF-LBPRGKRZSA-N -1 1 354.439 2.954 20 30 FFEDMM C=CC[C@H](CC)NS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001573320121 947344216 /nfs/dbraw/zinc/34/42/16/947344216.db2.gz UORUZBSMBZRQAM-JTQLQIEISA-N -1 1 363.468 2.714 20 30 FFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573326765 947377815 /nfs/dbraw/zinc/37/78/15/947377815.db2.gz UGHXHZYASTYBMH-CQSZACIVSA-N -1 1 368.466 2.915 20 30 FFEDMM C=CCCO[C@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001573335716 947487527 /nfs/dbraw/zinc/48/75/27/947487527.db2.gz CONHNQIDSLPVCG-SECBINFHSA-N -1 1 371.319 2.685 20 30 FFEDMM C=CCn1cc2ccc(NC(=O)c3ccsc3-c3nnn[n-]3)cc2n1 ZINC001573351570 947617721 /nfs/dbraw/zinc/61/77/21/947617721.db2.gz SKYXPQQFUOXHLG-UHFFFAOYSA-N -1 1 351.395 2.716 20 30 FFEDMM C=CCn1cc2ccc(NC(=O)c3ccsc3-c3nn[n-]n3)cc2n1 ZINC001573351570 947617733 /nfs/dbraw/zinc/61/77/33/947617733.db2.gz SKYXPQQFUOXHLG-UHFFFAOYSA-N -1 1 351.395 2.716 20 30 FFEDMM C=CCCC[C@H](C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)c1ccccc1 ZINC000890962943 961212799 /nfs/dbraw/zinc/21/27/99/961212799.db2.gz FIZZHEBDFLEGNU-HNNXBMFYSA-N -1 1 351.410 2.805 20 30 FFEDMM N#Cc1c[n-]n2c1nc(CN1CCC(c3ccc(F)cc3)CC1)cc2=O ZINC001175436729 1013480773 /nfs/dbraw/zinc/48/07/73/1013480773.db2.gz NVTQKCURRBJUDA-UHFFFAOYSA-N -1 1 351.385 2.825 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)N(C)CCO3)n1 ZINC000892625299 969631318 /nfs/dbraw/zinc/63/13/18/969631318.db2.gz ZNLGAPRBDUSWNG-LBPRGKRZSA-N -1 1 371.418 2.638 20 30 FFEDMM C[C@H](C#N)CNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875475367 1014031609 /nfs/dbraw/zinc/03/16/09/1014031609.db2.gz AYGNPHCYRHJREG-NEPJUHHUSA-N -1 1 368.359 2.528 20 30 FFEDMM N#CCOc1cccc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1 ZINC001605601243 973902376 /nfs/dbraw/zinc/90/23/76/973902376.db2.gz DPHDDPLAPKCXDJ-INIZCTEOSA-N -1 1 369.421 2.773 20 30 FFEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc([O-])c(Cl)c3)C2)nc1 ZINC000876396252 1014255939 /nfs/dbraw/zinc/25/59/39/1014255939.db2.gz BDWBKTBCKWPXOT-AWEZNQCLSA-N -1 1 372.812 2.675 20 30 FFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)cc1 ZINC000128491846 977030861 /nfs/dbraw/zinc/03/08/61/977030861.db2.gz MPRIDQLNLYUGNM-KRWDZBQOSA-N -1 1 359.389 2.791 20 30 FFEDMM CC[C@H](c1ccccc1)N1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001595363340 980780762 /nfs/dbraw/zinc/78/07/62/980780762.db2.gz FNAOXNOJMMLKSN-GOSISDBHSA-N -1 1 350.422 2.925 20 30 FFEDMM C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ccccc2)CC1 ZINC000031643280 981502257 /nfs/dbraw/zinc/50/22/57/981502257.db2.gz ZVXOFKZJOIRVID-WASCAKKMSA-N -1 1 368.437 2.930 20 30 FFEDMM C=CCC[C@@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000909719226 981695264 /nfs/dbraw/zinc/69/52/64/981695264.db2.gz ZEOGFFWFXHMUIK-VQIMIIECSA-N -1 1 358.482 2.865 20 30 FFEDMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000762564174 988469503 /nfs/dbraw/zinc/46/95/03/988469503.db2.gz HJTNBEHVHPWTHF-SWLSCSKDSA-N -1 1 359.426 2.639 20 30 FFEDMM O=C(NC1CC1)c1cc(F)c([N-]N=C2C(=O)Nc3ccc(F)cc32)c(F)c1 ZINC000763182774 989185567 /nfs/dbraw/zinc/18/55/67/989185567.db2.gz IBSOOEICZXSVFK-UHFFFAOYSA-N -1 1 374.322 2.764 20 30 FFEDMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000809728571 994581691 /nfs/dbraw/zinc/58/16/91/994581691.db2.gz BTOCKYAXOZNJJX-IUODEOHRSA-N -1 1 359.426 2.782 20 30 FFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000809746200 994601942 /nfs/dbraw/zinc/60/19/42/994601942.db2.gz NLBQUTXDWJCRRC-QWHCGFSZSA-N -1 1 359.426 2.734 20 30 FFEDMM C[C@@](O)(C1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1)C(F)(F)F ZINC001593382345 995096652 /nfs/dbraw/zinc/09/66/52/995096652.db2.gz XKGLYLABAFQUJR-GOEBONIOSA-N -1 1 356.344 2.709 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)Cc1cccc(F)c1Br ZINC001143758731 997652932 /nfs/dbraw/zinc/65/29/32/997652932.db2.gz LIURYOPURHCFEA-UHFFFAOYSA-N -1 1 366.190 2.956 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(OCc2ccccc2)cc1 ZINC000731155408 997717743 /nfs/dbraw/zinc/71/77/43/997717743.db2.gz ZUEQCGXOTHLUAX-UHFFFAOYSA-N -1 1 374.404 2.847 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(CN2CCOC2=O)c1 ZINC000734119949 999203456 /nfs/dbraw/zinc/20/34/56/999203456.db2.gz KUBXGIFGGUWGTC-UHFFFAOYSA-N -1 1 371.418 2.620 20 30 FFEDMM Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000743268119 999810003 /nfs/dbraw/zinc/81/00/03/999810003.db2.gz DDGQXZPZZQDNAU-UHFFFAOYSA-N -1 1 371.418 2.933 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1N1CCOC1=O ZINC000746055379 999944295 /nfs/dbraw/zinc/94/42/95/999944295.db2.gz IBRARSDVLQSMEO-UHFFFAOYSA-N -1 1 371.418 2.933 20 30 FFEDMM CN(C[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1)C(=O)OC(C)(C)C ZINC000785597087 1001456487 /nfs/dbraw/zinc/45/64/87/1001456487.db2.gz FWEIVOGEVKORFZ-OAHLLOKOSA-N -1 1 359.426 2.735 20 30 FFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2oc(CC3CC3)nc2C)c1 ZINC000789342141 1002050676 /nfs/dbraw/zinc/05/06/76/1002050676.db2.gz IKXSTSJHOLSHAD-OAHLLOKOSA-N -1 1 353.378 2.905 20 30 FFEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC)n2)cc1 ZINC000791772137 1002796232 /nfs/dbraw/zinc/79/62/32/1002796232.db2.gz WXHWRRLFGMUSDD-HNNXBMFYSA-N -1 1 352.394 2.789 20 30 FFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186736359 1003401412 /nfs/dbraw/zinc/40/14/12/1003401412.db2.gz FEZSTJZGBKKEEP-GFCCVEGCSA-N -1 1 352.200 2.808 20 30 FFEDMM N#C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1ccc(F)cc1 ZINC001196180361 1003697659 /nfs/dbraw/zinc/69/76/59/1003697659.db2.gz GZKYIYJDXNJLGP-LBPRGKRZSA-N -1 1 370.203 2.526 20 30 FFEDMM Cn1ncc2c1ncnc2NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196298022 1003739547 /nfs/dbraw/zinc/73/95/47/1003739547.db2.gz RHTHQSLIWLVCSG-UHFFFAOYSA-N -1 1 370.372 2.860 20 30 FFEDMM COc1cc(Br)c([O-])c(NC(=O)c2cnc(C)c(C#N)c2)c1 ZINC001192293763 1004119221 /nfs/dbraw/zinc/11/92/21/1004119221.db2.gz JWTITRNVUHOZHF-UHFFFAOYSA-N -1 1 362.183 2.991 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1ccc(-c2ccc(C#N)cc2)o1 ZINC001197401691 1004195578 /nfs/dbraw/zinc/19/55/78/1004195578.db2.gz PLTACSPGRKATNH-UHFFFAOYSA-N -1 1 361.317 2.753 20 30 FFEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccc(C(=O)OC)c1F ZINC001197630060 1004311690 /nfs/dbraw/zinc/31/16/90/1004311690.db2.gz ZMVQGSKIEZRVHE-UHFFFAOYSA-N -1 1 362.338 2.584 20 30 FFEDMM N#CCS(=O)(=O)[N-]c1cc(Br)c(F)cc1Br ZINC001192980319 1004346867 /nfs/dbraw/zinc/34/68/67/1004346867.db2.gz GMZFTSPJFSWLGJ-UHFFFAOYSA-N -1 1 372.013 2.616 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1ccnc(Cl)c1C(F)(F)F ZINC001197795440 1004366092 /nfs/dbraw/zinc/36/60/92/1004366092.db2.gz CYUKSFQDUQWBDK-UHFFFAOYSA-N -1 1 373.678 2.689 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1[C@@H]1Cc3ccccc3CN1CC2 ZINC001193151286 1004391954 /nfs/dbraw/zinc/39/19/54/1004391954.db2.gz PINJVVCRDSIZPG-KUHUBIRLSA-N -1 1 367.474 2.996 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)NCc2ccco2)ccc1Cl ZINC001193158711 1004393749 /nfs/dbraw/zinc/39/37/49/1004393749.db2.gz UUIQQGFLHVYYAB-SNVBAGLBSA-N -1 1 367.814 2.517 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1ncccc1C(=O)c1ccccc1 ZINC001193571687 1004515081 /nfs/dbraw/zinc/51/50/81/1004515081.db2.gz VHTCOKNZUOEUFU-UHFFFAOYSA-N -1 1 360.373 2.752 20 30 FFEDMM C=C(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)OC ZINC001193580091 1004517628 /nfs/dbraw/zinc/51/76/28/1004517628.db2.gz AIMUUMJUQFRDGD-NSHDSACASA-N -1 1 370.229 2.919 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cc2cnccc2o1 ZINC001194028898 1004632858 /nfs/dbraw/zinc/63/28/58/1004632858.db2.gz SNDRWLBBNWBXEE-JTQLQIEISA-N -1 1 372.362 2.647 20 30 FFEDMM COc1ccccc1-n1nc(C(=O)N([O-])C(=N)c2ccccc2N)cc1C ZINC001199341930 1004904770 /nfs/dbraw/zinc/90/47/70/1004904770.db2.gz RFRBSHUKNUBILY-UHFFFAOYSA-N -1 1 365.393 2.628 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1C#N ZINC001201315483 1005198772 /nfs/dbraw/zinc/19/87/72/1005198772.db2.gz BKWLSYGPIHNWQV-UHFFFAOYSA-N -1 1 355.419 2.794 20 30 FFEDMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1F ZINC001201322723 1005199913 /nfs/dbraw/zinc/19/99/13/1005199913.db2.gz SPKCGPUZJXTHFP-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000776347218 1005389809 /nfs/dbraw/zinc/38/98/09/1005389809.db2.gz YASGABAHUJJCCA-GOSISDBHSA-N -1 1 352.390 2.791 20 30 FFEDMM CCn1cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000748255597 1016983300 /nfs/dbraw/zinc/98/33/00/1016983300.db2.gz ZLIOGHMQLFMIJZ-UHFFFAOYSA-N -1 1 372.406 2.882 20 30 FFEDMM CCC(Nc1ccc(CC#N)cc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814335357 1006250250 /nfs/dbraw/zinc/25/02/50/1006250250.db2.gz IXTZSDNCWMWSMV-FOCLMDBBSA-N -1 1 370.478 2.728 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001187986595 1006355524 /nfs/dbraw/zinc/35/55/24/1006355524.db2.gz FFKZXSMSVIZNAV-UHFFFAOYSA-N -1 1 372.450 2.897 20 30 FFEDMM CCCCCCCCS(=O)(=O)[N-]c1cnc(CC(=O)OCC)nc1 ZINC001187994914 1006356750 /nfs/dbraw/zinc/35/67/50/1006356750.db2.gz UKHDZEXLTKNDBD-UHFFFAOYSA-N -1 1 357.476 2.684 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1cc(F)c[nH]1 ZINC001188478237 1006585928 /nfs/dbraw/zinc/58/59/28/1006585928.db2.gz GSGJZDLSYWUOJU-FBCYGCLPSA-N -1 1 357.370 2.941 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1(C)C ZINC000854972970 1007048430 /nfs/dbraw/zinc/04/84/30/1007048430.db2.gz DLLQPARPSMEIFJ-LSDHHAIUSA-N -1 1 359.426 2.685 20 30 FFEDMM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189706097 1007235970 /nfs/dbraw/zinc/23/59/70/1007235970.db2.gz KATWDYPDALFCEU-HNNXBMFYSA-N -1 1 361.410 2.528 20 30 FFEDMM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Br)cc1[O-] ZINC000855497342 1007375042 /nfs/dbraw/zinc/37/50/42/1007375042.db2.gz XZFQECWHFYPCFO-UHFFFAOYSA-N -1 1 368.227 2.572 20 30 FFEDMM C#C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])[C@H]1CCCO1 ZINC000775349183 1007459045 /nfs/dbraw/zinc/45/90/45/1007459045.db2.gz MGXBZSLBXJFIFX-GDBMZVCRSA-N -1 1 360.410 2.650 20 30 FFEDMM C#CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC001178534618 1009024851 /nfs/dbraw/zinc/02/48/51/1009024851.db2.gz NYGRDFDODGIHFM-UHFFFAOYSA-N -1 1 356.447 2.971 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2ccc(C#N)cc2[O-])C1 ZINC001179484852 1009349284 /nfs/dbraw/zinc/34/92/84/1009349284.db2.gz INHMKWWFQHNPPG-BFUOFWGJSA-N -1 1 357.410 2.849 20 30 FFEDMM CC#CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000773863436 1009726049 /nfs/dbraw/zinc/72/60/49/1009726049.db2.gz BLLFMJROJMTGFF-UHFFFAOYSA-N -1 1 373.430 2.985 20 30 FFEDMM C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CN1C(=O)OC(C)(C)C ZINC000863025440 1010080563 /nfs/dbraw/zinc/08/05/63/1010080563.db2.gz NLQGIPNKJHXIBW-SWLSCSKDSA-N -1 1 359.426 2.782 20 30 FFEDMM CC(=NN[C@@H]1CCC[C@H]1O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863120258 1010110433 /nfs/dbraw/zinc/11/04/33/1010110433.db2.gz QBNWQWQHAXAEFR-RTBURBONSA-N -1 1 373.478 2.714 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)[C@@H](C)Cc2ccc(C#N)cc2)[n-]c1=O ZINC000889787031 1010118001 /nfs/dbraw/zinc/11/80/01/1010118001.db2.gz PJEYNKBGCATBIT-BBRMVZONSA-N -1 1 366.421 2.605 20 30 FFEDMM C#CC[C@H](NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000868444751 1011305906 /nfs/dbraw/zinc/30/59/06/1011305906.db2.gz FDTBKMVWWFLXPH-WMLDXEAASA-N -1 1 367.371 2.604 20 30 FFEDMM 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N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc([O-])c(Cl)c3)CC2=O)cc1 ZINC001323605469 1045657022 /nfs/dbraw/zinc/65/70/22/1045657022.db2.gz LPCQYSTZOGTOQD-GFCCVEGCSA-N -1 1 355.781 2.909 20 30 FFEDMM CCCn1c(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc2ccccc21 ZINC001324407300 1046008191 /nfs/dbraw/zinc/00/81/91/1046008191.db2.gz IJFGBJOCTAAXSW-UHFFFAOYSA-N -1 1 367.430 2.930 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001327443972 1047896303 /nfs/dbraw/zinc/89/63/03/1047896303.db2.gz CXYVBRZECSSFGM-JKSUJKDBSA-N -1 1 368.458 2.911 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc(C2CC2)[nH]c1C1CC1 ZINC001329967767 1048988467 /nfs/dbraw/zinc/98/84/67/1048988467.db2.gz VKHCWLSAYAWLHO-UHFFFAOYSA-N -1 1 355.419 2.648 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)cc1[O-] ZINC001297642009 1050252013 /nfs/dbraw/zinc/25/20/13/1050252013.db2.gz YTDHZBJLIWNOTH-KRWDZBQOSA-N -1 1 371.437 2.881 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CC1(C)COC1 ZINC001342189429 1050781634 /nfs/dbraw/zinc/78/16/34/1050781634.db2.gz VEAKFQIYEBXVBF-UHFFFAOYSA-N -1 1 363.849 2.748 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)Cc1cc(C)on1 ZINC001340472813 1050867432 /nfs/dbraw/zinc/86/74/32/1050867432.db2.gz IVKYRRFTIHFQPV-UHFFFAOYSA-N -1 1 360.805 2.818 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N(C)Cc1csc(CC)n1 ZINC001342413625 1051009068 /nfs/dbraw/zinc/00/90/68/1051009068.db2.gz GDZLLBYPLKPLTR-UHFFFAOYSA-N -1 1 364.866 2.558 20 30 FFEDMM C#C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1[O-] ZINC001304830651 1051728614 /nfs/dbraw/zinc/72/86/14/1051728614.db2.gz SYXVUHWYANOWEA-LLVKDONJSA-N -1 1 355.175 2.625 20 30 FFEDMM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc([O-])c3F)CC2)c1 ZINC001542702935 1071284320 /nfs/dbraw/zinc/28/43/20/1071284320.db2.gz VBYIVYMDGVODIU-UHFFFAOYSA-N -1 1 367.380 2.894 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1F)C(C)C ZINC001309453188 1052622048 /nfs/dbraw/zinc/62/20/48/1052622048.db2.gz SIZYDMHQVARJSN-SECBINFHSA-N -1 1 352.200 2.663 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(CCF)CCOC ZINC001346582604 1053127376 /nfs/dbraw/zinc/12/73/76/1053127376.db2.gz KWASCAUVDCHRCL-UHFFFAOYSA-N -1 1 369.828 2.698 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(OC)CC1 ZINC001346592884 1053138199 /nfs/dbraw/zinc/13/81/99/1053138199.db2.gz JKWPHJDZYBTAPP-UHFFFAOYSA-N -1 1 370.457 2.509 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001351770378 1054991317 /nfs/dbraw/zinc/99/13/17/1054991317.db2.gz XHTGQRRDZDHEPP-SMDDNHRTSA-N -1 1 372.454 2.588 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001356152839 1055338185 /nfs/dbraw/zinc/33/81/85/1055338185.db2.gz OSRMZSNHYUGZSH-QMMMGPOBSA-N -1 1 361.759 2.681 20 30 FFEDMM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001543811000 1071550365 /nfs/dbraw/zinc/55/03/65/1071550365.db2.gz VVZZKNPVAJLRKV-HNNXBMFYSA-N -1 1 360.418 2.688 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](OC)CC[C@H]1C ZINC001338708362 1055749374 /nfs/dbraw/zinc/74/93/74/1055749374.db2.gz IAKLRZOCHZPLJV-OCCSQVGLSA-N -1 1 370.457 2.508 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@](C)(OC)C1 ZINC001339098057 1056089355 /nfs/dbraw/zinc/08/93/55/1056089355.db2.gz XGFLZEGZAAGOGR-KRWDZBQOSA-N -1 1 363.849 2.890 20 30 FFEDMM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([O-])c(F)cc1F ZINC001358305762 1056239293 /nfs/dbraw/zinc/23/92/93/1056239293.db2.gz GQACSKGBZJRQFM-GFCCVEGCSA-N -1 1 354.353 2.916 20 30 FFEDMM C=CCn1c([C@@H]2C[C@H]2C)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC001339580491 1056605590 /nfs/dbraw/zinc/60/55/90/1056605590.db2.gz HHNHOETUZIRXKS-FDYHWXHSSA-N -1 1 371.407 2.623 20 30 FFEDMM C=CC(C)(C)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC001446709917 1058544021 /nfs/dbraw/zinc/54/40/21/1058544021.db2.gz LXCOAWKTKDMNME-UHFFFAOYSA-N -1 1 354.472 2.964 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2ccc(I)cc2[O-])nc1 ZINC001447627846 1058679778 /nfs/dbraw/zinc/67/97/78/1058679778.db2.gz UPSYDQBHFLVMEO-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC001452490008 1059231326 /nfs/dbraw/zinc/23/13/26/1059231326.db2.gz RALWFSLCMNQICP-CQSZACIVSA-N -1 1 357.360 2.893 20 30 FFEDMM N#CC(=C([O-])c1ccc(C(=O)NC2CC2)cc1)c1nc(N)c2ccccc2n1 ZINC001515114106 1059344555 /nfs/dbraw/zinc/34/45/55/1059344555.db2.gz LSXYKVOTDCCTQY-INIZCTEOSA-N -1 1 371.400 2.594 20 30 FFEDMM N#Cc1ccc2nc(NC(=O)c3nn(-c4cccc(F)c4)cc3[O-])[nH]c2c1 ZINC001454330688 1059505449 /nfs/dbraw/zinc/50/54/49/1059505449.db2.gz XYWKLPSUMSSYLS-UHFFFAOYSA-N -1 1 362.324 2.717 20 30 FFEDMM C=C(C)C[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)OCC ZINC001455242694 1059737592 /nfs/dbraw/zinc/73/75/92/1059737592.db2.gz LMHNGOURSWPLQN-GFCCVEGCSA-N -1 1 356.216 2.782 20 30 FFEDMM N#Cc1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC001458028221 1060493373 /nfs/dbraw/zinc/49/33/73/1060493373.db2.gz RUNBFQZNYKRLAT-UHFFFAOYSA-N -1 1 352.350 2.587 20 30 FFEDMM COc1ccc([O-])c(S(=O)(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC001475132510 1060959097 /nfs/dbraw/zinc/95/90/97/1060959097.db2.gz SOBPHADOEJVABI-UHFFFAOYSA-N -1 1 358.419 2.626 20 30 FFEDMM C#CC1([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CCCC1 ZINC001464358417 1062567413 /nfs/dbraw/zinc/56/74/13/1062567413.db2.gz ZMKAWPBXZIFOOW-UHFFFAOYSA-N -1 1 352.765 2.978 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CCn1cccn1 ZINC001524286572 1062786857 /nfs/dbraw/zinc/78/68/57/1062786857.db2.gz AZZXJCFYGUHPSK-UHFFFAOYSA-N -1 1 373.848 2.608 20 30 FFEDMM N#Cc1ccc(Sc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1C(F)(F)F ZINC001581874413 1079010872 /nfs/dbraw/zinc/01/08/72/1079010872.db2.gz QTAASJJGVWWKHC-UHFFFAOYSA-N -1 1 374.311 2.570 20 30 FFEDMM Cc1cc(C(=O)Nc2ccc(C3CC3)c(C#N)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001558118558 1075945315 /nfs/dbraw/zinc/94/53/15/1075945315.db2.gz NGPFCPOZBIHNLW-UHFFFAOYSA-N -1 1 361.361 2.746 20 30 FFEDMM C=CCn1ncc2ccc(NC(=O)NCc3cc(=O)[n-]c(SC)n3)cc21 ZINC001563315720 1076541428 /nfs/dbraw/zinc/54/14/28/1076541428.db2.gz OVIBNEOOMMZKPZ-UHFFFAOYSA-N -1 1 370.438 2.762 20 30 FFEDMM COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cnncc3[O-])c2)c1 ZINC001587856227 1079878778 /nfs/dbraw/zinc/87/87/78/1079878778.db2.gz WDRHZGGRAXHASZ-UHFFFAOYSA-N -1 1 373.368 2.621 20 30 FFEDMM C#CC[C@H](Cc1ccccc1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001588334380 1079988382 /nfs/dbraw/zinc/98/83/82/1079988382.db2.gz VHDYUPNHSGZQSX-OAHLLOKOSA-N -1 1 355.405 2.856 20 30 FFEDMM C#CC[C@H](Cc1ccccc1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001588334380 1079988391 /nfs/dbraw/zinc/98/83/91/1079988391.db2.gz VHDYUPNHSGZQSX-OAHLLOKOSA-N -1 1 355.405 2.856 20 30 FFEDMM C=C(C)CCC(=O)N[C@H](C)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588415563 1080018843 /nfs/dbraw/zinc/01/88/43/1080018843.db2.gz NTQRZKKAAPMLCJ-BDAKNGLRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=C(C)CC[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588420041 1080022276 /nfs/dbraw/zinc/02/22/76/1080022276.db2.gz ZFXVEIJAHMGITB-NSHDSACASA-N -1 1 359.430 2.805 20 30 FFEDMM C=C(CC(C)C)C(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001588442401 1080027814 /nfs/dbraw/zinc/02/78/14/1080027814.db2.gz NVCOROXTQMRGJG-UHFFFAOYSA-N -1 1 370.457 2.670 20 30 FFEDMM C=CCCC(=O)N[C@@H](C)CCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588570732 1080102694 /nfs/dbraw/zinc/10/26/94/1080102694.db2.gz CLYGTJXMDUUUCT-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001588621107 1080125160 /nfs/dbraw/zinc/12/51/60/1080125160.db2.gz VSFNHWSPILJGJJ-UHFFFAOYSA-N -1 1 374.397 2.892 20 30 FFEDMM C=CCCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001588621107 1080125164 /nfs/dbraw/zinc/12/51/64/1080125164.db2.gz VSFNHWSPILJGJJ-UHFFFAOYSA-N -1 1 374.397 2.892 20 30 FFEDMM C=CC[C@H](C(=O)[O-])N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC001588728851 1080173699 /nfs/dbraw/zinc/17/36/99/1080173699.db2.gz LXQRZVWYXIKHLJ-OAHLLOKOSA-N -1 1 359.253 2.961 20 30 FFEDMM CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)c2cc(C(=O)[O-])cs2)o1 ZINC001588781327 1080193224 /nfs/dbraw/zinc/19/32/24/1080193224.db2.gz UPROHALFQYMHED-UHFFFAOYSA-N -1 1 361.387 2.574 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc2n[nH]cc2c1 ZINC001588781339 1080193611 /nfs/dbraw/zinc/19/36/11/1080193611.db2.gz VKKMESMUPFCNHR-UHFFFAOYSA-N -1 1 365.401 2.865 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588936984 1080273665 /nfs/dbraw/zinc/27/36/65/1080273665.db2.gz QBLMDFCDNLHJHW-SECBINFHSA-N -1 1 370.319 2.688 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588936984 1080273672 /nfs/dbraw/zinc/27/36/72/1080273672.db2.gz QBLMDFCDNLHJHW-SECBINFHSA-N -1 1 370.319 2.688 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc3c2CCOC3)o1 ZINC001589238552 1080440230 /nfs/dbraw/zinc/44/02/30/1080440230.db2.gz ZNMBGHGDGLAIFI-UHFFFAOYSA-N -1 1 367.413 2.671 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001590035847 1080961127 /nfs/dbraw/zinc/96/11/27/1080961127.db2.gz KPOZFOOALPWNGO-MGPLVRAMSA-N -1 1 362.434 2.541 20 30 FFEDMM C[C@H]1CCc2c(C#N)c(NC(=O)c3coc(-c4nnn[n-]4)c3)sc2C1 ZINC001590279550 1081136502 /nfs/dbraw/zinc/13/65/02/1081136502.db2.gz LYVXKYVVAPGOPD-QMMMGPOBSA-N -1 1 354.395 2.770 20 30 FFEDMM C[C@H]1CCc2c(C#N)c(NC(=O)c3coc(-c4nn[n-]n4)c3)sc2C1 ZINC001590279550 1081136505 /nfs/dbraw/zinc/13/65/05/1081136505.db2.gz LYVXKYVVAPGOPD-QMMMGPOBSA-N -1 1 354.395 2.770 20 30 FFEDMM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2OC)cc1C#N ZINC000277275732 256179607 /nfs/dbraw/zinc/17/96/07/256179607.db2.gz LPVAOQAVWQVIDN-MRXNPFEDSA-N -1 1 370.405 2.890 20 30 FFEDMM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)OC(C)C ZINC000287135667 257073848 /nfs/dbraw/zinc/07/38/48/257073848.db2.gz BCGYHFCEFYUTEX-MRXNPFEDSA-N -1 1 364.423 2.604 20 30 FFEDMM COc1c([O-])c(CN2CCO[C@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000373209848 512221137 /nfs/dbraw/zinc/22/11/37/512221137.db2.gz MUYQSYRWPHBFDE-KRWDZBQOSA-N -1 1 369.377 2.754 20 30 FFEDMM N#CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CC1 ZINC000065895360 506387832 /nfs/dbraw/zinc/38/78/32/506387832.db2.gz WLPPTFKDYDDDKV-UHFFFAOYSA-N -1 1 373.409 2.755 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000015508914 507044018 /nfs/dbraw/zinc/04/40/18/507044018.db2.gz VLEGHTHZCRFGAS-UHFFFAOYSA-N -1 1 360.435 2.802 20 30 FFEDMM C[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000064346446 507791924 /nfs/dbraw/zinc/79/19/24/507791924.db2.gz HQCGQPYBYIETEI-LBPRGKRZSA-N -1 1 361.398 2.658 20 30 FFEDMM CCc1cc(C#N)c(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)s1 ZINC000079263460 507948910 /nfs/dbraw/zinc/94/89/10/507948910.db2.gz PPHHYRPFHWHTIB-UHFFFAOYSA-N -1 1 362.480 2.867 20 30 FFEDMM N#CC1(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1 ZINC000094150810 508170633 /nfs/dbraw/zinc/17/06/33/508170633.db2.gz AHMDPVAFBYUQQI-UHFFFAOYSA-N -1 1 357.316 2.709 20 30 FFEDMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673501 508335482 /nfs/dbraw/zinc/33/54/82/508335482.db2.gz VWSSMOFABYUGPN-UHFFFAOYSA-N -1 1 357.435 2.807 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)NC2CC2)cc1 ZINC000114673341 508335536 /nfs/dbraw/zinc/33/55/36/508335536.db2.gz CFDJVYNQWVGIDR-UHFFFAOYSA-N -1 1 370.434 2.951 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C#N)CC3)cc2)cc1 ZINC000115153591 508372067 /nfs/dbraw/zinc/37/20/67/508372067.db2.gz BMBLTSGCEDOCMX-UHFFFAOYSA-N -1 1 355.419 2.582 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1C#N ZINC000156948041 508501313 /nfs/dbraw/zinc/50/13/13/508501313.db2.gz GRBDGUHXSAKXBQ-UHFFFAOYSA-N -1 1 359.382 2.691 20 30 FFEDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)nc3)[nH]n2)c1 ZINC000153219073 508560260 /nfs/dbraw/zinc/56/02/60/508560260.db2.gz PBVBTVWMPYGELU-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000158248366 508677605 /nfs/dbraw/zinc/67/76/05/508677605.db2.gz JSNXBWAODAXBPB-QGZVFWFLSA-N -1 1 358.419 2.835 20 30 FFEDMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000131514880 508942743 /nfs/dbraw/zinc/94/27/43/508942743.db2.gz BCVQICNVVQLSRA-UHFFFAOYSA-N -1 1 369.446 2.904 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)C#N)cc2)c1 ZINC000125821360 509033678 /nfs/dbraw/zinc/03/36/78/509033678.db2.gz PNKPLTYLICLJCU-AWEZNQCLSA-N -1 1 357.435 2.746 20 30 FFEDMM CN1C(=O)C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000189086528 509405514 /nfs/dbraw/zinc/40/55/14/509405514.db2.gz RZPYJGBFDFKCQW-QAPCUYQASA-N -1 1 369.808 2.619 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)c(Cl)c1 ZINC000269682471 510511192 /nfs/dbraw/zinc/51/11/92/510511192.db2.gz RTUVFJIWHZNZFJ-UHFFFAOYSA-N -1 1 366.830 2.560 20 30 FFEDMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000195447417 510828581 /nfs/dbraw/zinc/82/85/81/510828581.db2.gz YXQXMGRLZMROPO-UHFFFAOYSA-N -1 1 374.491 2.616 20 30 FFEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000286015138 511017432 /nfs/dbraw/zinc/01/74/32/511017432.db2.gz ZGHIDVZBFMECQQ-INIZCTEOSA-N -1 1 369.490 2.896 20 30 FFEDMM COc1cc(C(=O)NC2CCC(S(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000331266986 511056321 /nfs/dbraw/zinc/05/63/21/511056321.db2.gz IFZYMOGHLZBUAP-UHFFFAOYSA-N -1 1 361.847 2.715 20 30 FFEDMM CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000292580996 511649723 /nfs/dbraw/zinc/64/97/23/511649723.db2.gz VIQGTCTZGWVHDJ-IBGZPJMESA-N -1 1 369.446 2.909 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC(C)(C)CCC#N ZINC000366148753 511868139 /nfs/dbraw/zinc/86/81/39/511868139.db2.gz ABCVECJHBAGBIR-UHFFFAOYSA-N -1 1 367.453 2.931 20 30 FFEDMM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435732358 513671505 /nfs/dbraw/zinc/67/15/05/513671505.db2.gz PWGLXCQVXBRCRK-UHFFFAOYSA-N -1 1 374.418 2.609 20 30 FFEDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435737568 513674021 /nfs/dbraw/zinc/67/40/21/513674021.db2.gz JHYXJLUCDDKCAA-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc21 ZINC000435752594 513675716 /nfs/dbraw/zinc/67/57/16/513675716.db2.gz LJQPAQLZCXHUEC-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000442968388 513831517 /nfs/dbraw/zinc/83/15/17/513831517.db2.gz QUCWDNOQQRYJOE-UHFFFAOYSA-N -1 1 363.417 2.641 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3c(F)cccc3F)CCC2)o1 ZINC000416606488 513864723 /nfs/dbraw/zinc/86/47/23/513864723.db2.gz XGCFYMJEGHPGOM-UHFFFAOYSA-N -1 1 352.362 2.830 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C)cc1C ZINC000427287075 514172568 /nfs/dbraw/zinc/17/25/68/514172568.db2.gz DOBKSHXWNUMFSJ-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2[nH]1 ZINC000427304130 514178560 /nfs/dbraw/zinc/17/85/60/514178560.db2.gz HLZTXVWVOFYDFJ-UHFFFAOYSA-N -1 1 371.393 2.902 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1C#N ZINC000427785579 514313841 /nfs/dbraw/zinc/31/38/41/514313841.db2.gz PYVONMBKDWZGSD-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM CC1(C)C[C@]1(C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000427898261 514342955 /nfs/dbraw/zinc/34/29/55/514342955.db2.gz SUOVCVCZNLYGEC-LJQANCHMSA-N -1 1 369.446 2.909 20 30 FFEDMM C=CCC(C)(C)CNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000433163023 514402713 /nfs/dbraw/zinc/40/27/13/514402713.db2.gz WSSRYYBLZCVTMC-UHFFFAOYSA-N -1 1 355.460 2.791 20 30 FFEDMM CC(C)(NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nn[n-]n1 ZINC000475018662 514526120 /nfs/dbraw/zinc/52/61/20/514526120.db2.gz RRTLCVPDMIOTGW-UHFFFAOYSA-N -1 1 366.356 2.668 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000507938627 514617840 /nfs/dbraw/zinc/61/78/40/514617840.db2.gz OPWIJDBYAMIFPK-UHFFFAOYSA-N -1 1 360.395 2.926 20 30 FFEDMM COc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1[N-]S(C)(=O)=O ZINC000461905648 514778439 /nfs/dbraw/zinc/77/84/39/514778439.db2.gz UZSPIBDNHAYICK-LBPRGKRZSA-N -1 1 373.434 2.681 20 30 FFEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)o1 ZINC000489610129 514915470 /nfs/dbraw/zinc/91/54/70/514915470.db2.gz LPNTVPCRECMQQL-OAHLLOKOSA-N -1 1 352.387 2.519 20 30 FFEDMM CC#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000498609577 514994050 /nfs/dbraw/zinc/99/40/50/514994050.db2.gz BYLHTLQQJMDADV-UHFFFAOYSA-N -1 1 356.447 2.939 20 30 FFEDMM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000494378722 515825298 /nfs/dbraw/zinc/82/52/98/515825298.db2.gz SNMINDVRDOBPFS-HNNXBMFYSA-N -1 1 356.488 2.502 20 30 FFEDMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1F ZINC000507561283 516246116 /nfs/dbraw/zinc/24/61/16/516246116.db2.gz BITBXFHGTYHVAG-UHFFFAOYSA-N -1 1 362.386 2.558 20 30 FFEDMM C=CCn1c(SCc2nn[n-]n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000497196882 516300332 /nfs/dbraw/zinc/30/03/32/516300332.db2.gz BUNBRHQJNZRAFG-SECBINFHSA-N -1 1 374.495 2.574 20 30 FFEDMM C[C@H](C#N)CN(C(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000544882110 516975772 /nfs/dbraw/zinc/97/57/72/516975772.db2.gz SMFBJVCRQZBSRM-SECBINFHSA-N -1 1 370.190 2.761 20 30 FFEDMM N#CCCCNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000541443275 517050745 /nfs/dbraw/zinc/05/07/45/517050745.db2.gz SPHKGWDJAGQDTR-UHFFFAOYSA-N -1 1 372.450 2.590 20 30 FFEDMM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553861769 517939378 /nfs/dbraw/zinc/93/93/78/517939378.db2.gz UTCIWVIMXVKJLX-BMIGLBTASA-N -1 1 354.815 2.859 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2OC(F)F)o1 ZINC000553882430 517950876 /nfs/dbraw/zinc/95/08/76/517950876.db2.gz UVOXUSQOHTZGMZ-NEPJUHHUSA-N -1 1 354.334 2.587 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnc2c(cnn2C(C)C)c1 ZINC000522274944 518060644 /nfs/dbraw/zinc/06/06/44/518060644.db2.gz PRSIDMFLXYAZST-UHFFFAOYSA-N -1 1 355.423 2.993 20 30 FFEDMM C[C@@H](NC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C1CC1 ZINC000581642137 518383766 /nfs/dbraw/zinc/38/37/66/518383766.db2.gz IDAHWOWFLCEKSD-BXKDBHETSA-N -1 1 356.451 2.798 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(Br)ccc32)o1 ZINC000588111806 518728457 /nfs/dbraw/zinc/72/84/57/518728457.db2.gz VTRXUXARYPZRDJ-CYBMUJFWSA-N -1 1 367.224 2.880 20 30 FFEDMM CC#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000579576560 518747242 /nfs/dbraw/zinc/74/72/42/518747242.db2.gz COVBZUNMYPXQMG-UHFFFAOYSA-N -1 1 372.446 2.591 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c(Cl)c1 ZINC000568355442 518994812 /nfs/dbraw/zinc/99/48/12/518994812.db2.gz JVTLGAGMTRLHRB-UHFFFAOYSA-N -1 1 351.819 2.592 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C#N)CC2)cc1 ZINC000565518507 518995872 /nfs/dbraw/zinc/99/58/72/518995872.db2.gz FHDDECCTANMQQA-UHFFFAOYSA-N -1 1 369.446 2.829 20 30 FFEDMM N#CC1(CC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000590206491 519172740 /nfs/dbraw/zinc/17/27/40/519172740.db2.gz YSRJFULYADEICA-UHFFFAOYSA-N -1 1 369.446 2.797 20 30 FFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)o1 ZINC000594812992 520170830 /nfs/dbraw/zinc/17/08/30/520170830.db2.gz KMQISUNDVMWSTI-UHFFFAOYSA-N -1 1 362.407 2.542 20 30 FFEDMM N#Cc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000603824451 520369327 /nfs/dbraw/zinc/36/93/27/520369327.db2.gz HIGUDFDQWCHICJ-UHFFFAOYSA-N -1 1 370.434 2.666 20 30 FFEDMM COCCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc21 ZINC000610123789 520548657 /nfs/dbraw/zinc/54/86/57/520548657.db2.gz DCRGIQGZYGVOPX-UHFFFAOYSA-N -1 1 370.434 2.664 20 30 FFEDMM C=CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@@H](C)COC ZINC000617578767 520589113 /nfs/dbraw/zinc/58/91/13/520589113.db2.gz QJGMRYXADABLOM-AWEZNQCLSA-N -1 1 370.453 2.535 20 30 FFEDMM C[C@@H]1CCc2sc([N-]C(=O)c3nc4ncccn4n3)c(C#N)c2[C@H]1C ZINC000598842343 520871209 /nfs/dbraw/zinc/87/12/09/520871209.db2.gz BJDMFZIGPIYVAN-ZJUUUORDSA-N -1 1 352.423 2.996 20 30 FFEDMM CSc1ccccc1NC(=O)CN(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295283 520895588 /nfs/dbraw/zinc/89/55/88/520895588.db2.gz CWEYFMMFQSVVKG-UHFFFAOYSA-N -1 1 355.419 2.696 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 ZINC000614373817 520929870 /nfs/dbraw/zinc/92/98/70/520929870.db2.gz BHDOFXRPGPNLIA-INIZCTEOSA-N -1 1 373.771 2.592 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000614369949 520929978 /nfs/dbraw/zinc/92/99/78/520929978.db2.gz CUCIRJQGSILULH-UHFFFAOYSA-N -1 1 368.780 2.940 20 30 FFEDMM CCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccn1 ZINC000611017106 520949630 /nfs/dbraw/zinc/94/96/30/520949630.db2.gz YPTGXDXEPRCAGA-AWEZNQCLSA-N -1 1 360.395 2.681 20 30 FFEDMM N#CC1(CNC(=O)c2cc(I)ccc2[O-])CCCC1 ZINC000593775914 521206761 /nfs/dbraw/zinc/20/67/61/521206761.db2.gz SOISDIFPSOPCEY-UHFFFAOYSA-N -1 1 370.190 2.811 20 30 FFEDMM C=C[C@@H](C(=O)OC)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000619717134 521835720 /nfs/dbraw/zinc/83/57/20/521835720.db2.gz ABDSLUVIGKCQLD-SFHVURJKSA-N -1 1 374.462 2.647 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000619729367 521841288 /nfs/dbraw/zinc/84/12/88/521841288.db2.gz VGKGACVCMDGPLO-HNNXBMFYSA-N -1 1 350.422 2.816 20 30 FFEDMM CCN(CC)c1ccc(CN=Nc2oc(C)nc2-c2nn[n-]n2)cc1F ZINC000736531942 598824820 /nfs/dbraw/zinc/82/48/20/598824820.db2.gz NBDGNDBDGSCIKC-UHFFFAOYSA-N -1 1 358.381 2.594 20 30 FFEDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCSC1=Nc1ccccc1 ZINC000738259287 598981344 /nfs/dbraw/zinc/98/13/44/598981344.db2.gz PXGORHLWUPFPSY-UHFFFAOYSA-N -1 1 365.422 2.529 20 30 FFEDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCSC1=Nc1ccccc1 ZINC000738259287 598981345 /nfs/dbraw/zinc/98/13/45/598981345.db2.gz PXGORHLWUPFPSY-UHFFFAOYSA-N -1 1 365.422 2.529 20 30 FFEDMM Cc1cc(C)n(N=Cc2ccc(OCC(C)C)cc2)c(=O)c1-c1nn[n-]n1 ZINC000737256464 598392980 /nfs/dbraw/zinc/39/29/80/598392980.db2.gz LDIFVLWYVYILOE-UHFFFAOYSA-N -1 1 366.425 2.562 20 30 FFEDMM C=C(Br)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000735398505 598720704 /nfs/dbraw/zinc/72/07/04/598720704.db2.gz HYMMNJMDGRFFDD-UHFFFAOYSA-N -1 1 366.606 2.744 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@H]2CC(=O)[O-])c1C ZINC000738724303 599754361 /nfs/dbraw/zinc/75/43/61/599754361.db2.gz IJSGRHBFCITQHT-KRWDZBQOSA-N -1 1 357.454 2.879 20 30 FFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3ccc(Cl)nc3)CC2)cc1 ZINC000739106444 600573273 /nfs/dbraw/zinc/57/32/73/600573273.db2.gz RYPBEZVSOHJQER-SFHVURJKSA-N -1 1 370.840 2.550 20 30 FFEDMM COc1ccc(N2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1F ZINC000832384253 601551636 /nfs/dbraw/zinc/55/16/36/601551636.db2.gz WETIVTSXLDSDAS-LJQANCHMSA-N -1 1 369.396 2.654 20 30 FFEDMM C#CCNC(=O)C1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000825618891 602036688 /nfs/dbraw/zinc/03/66/88/602036688.db2.gz HAZARWRRLMNQTF-HNNXBMFYSA-N -1 1 369.248 2.581 20 30 FFEDMM N#Cc1ccc([C@@H](O)C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000833072110 602041821 /nfs/dbraw/zinc/04/18/21/602041821.db2.gz KPSXYKOUSPSNBS-KRWDZBQOSA-N -1 1 360.797 2.537 20 30 FFEDMM N#Cc1ccc([C@@H](O)C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000833072110 602041826 /nfs/dbraw/zinc/04/18/26/602041826.db2.gz KPSXYKOUSPSNBS-KRWDZBQOSA-N -1 1 360.797 2.537 20 30 FFEDMM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000833386852 605155725 /nfs/dbraw/zinc/15/57/25/605155725.db2.gz ZIDYOFCOLWXWFT-UHFFFAOYSA-N -1 1 356.773 2.850 20 30 FFEDMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1ccc(C#N)cc1Br ZINC000833834549 605425245 /nfs/dbraw/zinc/42/52/45/605425245.db2.gz OPQVVFKMPUTFRP-PWSUYJOCSA-N -1 1 352.232 2.799 20 30 FFEDMM N#Cc1ccc2ncc(CN3CCC([C@H]4CCCN4C(=O)[O-])CC3)n2c1 ZINC000833977110 605495380 /nfs/dbraw/zinc/49/53/80/605495380.db2.gz ODHFHQUFEMRZEO-QGZVFWFLSA-N -1 1 353.426 2.560 20 30 FFEDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1O[C@H](C)C#N ZINC000779843629 605597043 /nfs/dbraw/zinc/59/70/43/605597043.db2.gz BDINKFLQMSITQU-GFCCVEGCSA-N -1 1 360.391 2.785 20 30 FFEDMM COc1ccc2c(c1)C(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)CC2 ZINC000821849340 606166024 /nfs/dbraw/zinc/16/60/24/606166024.db2.gz DUTURCXDLNHHPI-UHFFFAOYSA-N -1 1 353.386 2.749 20 30 FFEDMM Cc1cc(C)n(N=C[C@H](C)CCc2ccccc2)c(=O)c1-c1nn[n-]n1 ZINC000822199057 606434857 /nfs/dbraw/zinc/43/48/57/606434857.db2.gz USXHBUPPNCQOJB-CYBMUJFWSA-N -1 1 350.426 2.748 20 30 FFEDMM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953686 608091731 /nfs/dbraw/zinc/09/17/31/608091731.db2.gz LWDGSVZNWCOVFM-UHFFFAOYSA-N -1 1 357.468 2.947 20 30 FFEDMM Cn1cc(C#N)cc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826358122 608350130 /nfs/dbraw/zinc/35/01/30/608350130.db2.gz FVHTWRIGOBOBQZ-UHFFFAOYSA-N -1 1 355.427 2.688 20 30 FFEDMM Cn1cc(C#N)cc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826358122 608350131 /nfs/dbraw/zinc/35/01/31/608350131.db2.gz FVHTWRIGOBOBQZ-UHFFFAOYSA-N -1 1 355.427 2.688 20 30 FFEDMM [O-]c1ccc(CN=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1Cl ZINC000826510973 608538070 /nfs/dbraw/zinc/53/80/70/608538070.db2.gz VRCSCPBLXLWSBO-UHFFFAOYSA-N -1 1 350.169 2.720 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(C#N)c(F)c2)o1 ZINC000823962625 609159618 /nfs/dbraw/zinc/15/96/18/609159618.db2.gz NLMHBDSEAUIZTK-UHFFFAOYSA-N -1 1 354.349 2.825 20 30 FFEDMM N#CC1(c2ccc(COC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)CC1 ZINC000826380755 609244663 /nfs/dbraw/zinc/24/46/63/609244663.db2.gz LUEQJOGBPXYREG-UHFFFAOYSA-N -1 1 351.391 2.840 20 30 FFEDMM N#CC1(c2ccc(COC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)CC1 ZINC000826380755 609244665 /nfs/dbraw/zinc/24/46/65/609244665.db2.gz LUEQJOGBPXYREG-UHFFFAOYSA-N -1 1 351.391 2.840 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826257253 609338412 /nfs/dbraw/zinc/33/84/12/609338412.db2.gz UXWMSRIHGKUJNL-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1F ZINC000103059784 728493977 /nfs/dbraw/zinc/49/39/77/728493977.db2.gz NPUOCCQTPBZIJG-UHFFFAOYSA-N -1 1 366.345 2.814 20 30 FFEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCOCC3)nc2)n1 ZINC000747194041 735542343 /nfs/dbraw/zinc/54/23/43/735542343.db2.gz RCJKVXFANOEFSD-AWEZNQCLSA-N -1 1 356.451 2.988 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)cn1 ZINC000312242589 729743128 /nfs/dbraw/zinc/74/31/28/729743128.db2.gz HBXPGDGCPKAGMB-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM CCCCn1cc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2F)c(C)n1 ZINC000872008569 731718477 /nfs/dbraw/zinc/71/84/77/731718477.db2.gz MLYHSBCYNLMUSB-UHFFFAOYSA-N -1 1 354.382 2.942 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)c1 ZINC000659939971 732023488 /nfs/dbraw/zinc/02/34/88/732023488.db2.gz VEULRXMMPURMMR-KRWDZBQOSA-N -1 1 355.456 2.577 20 30 FFEDMM C#CCO[N-]C(=O)CCc1cc(Br)c(Br)s1 ZINC000880079619 732842919 /nfs/dbraw/zinc/84/29/19/732842919.db2.gz QSUKNXGEWZTNMQ-UHFFFAOYSA-N -1 1 367.062 2.887 20 30 FFEDMM C[S@](=O)(=NS(=O)(=O)[N-]c1ccc(C#N)cc1F)C1CCCCC1 ZINC000882709987 733276217 /nfs/dbraw/zinc/27/62/17/733276217.db2.gz RGZHLZGPLHDYLA-JOCHJYFZSA-N -1 1 359.448 2.785 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(C#N)c2)[n-]c1=O ZINC000889789292 734224125 /nfs/dbraw/zinc/22/41/25/734224125.db2.gz BYJKOOMDOBFCJU-ZDUSSCGKSA-N -1 1 358.785 2.693 20 30 FFEDMM CC(C)(C)OC(=O)CCNN=Cc1cc(O)c([O-])c(Br)c1 ZINC000783869247 738844532 /nfs/dbraw/zinc/84/45/32/738844532.db2.gz UMEMWZLEIADORN-UHFFFAOYSA-N -1 1 359.220 2.516 20 30 FFEDMM C#CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000733287353 734804184 /nfs/dbraw/zinc/80/41/84/734804184.db2.gz DEIPXPTWEBTILF-UHFFFAOYSA-N -1 1 364.373 2.519 20 30 FFEDMM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000733320100 734808580 /nfs/dbraw/zinc/80/85/80/734808580.db2.gz DAJRURLJLCAFKX-VIFPVBQESA-N -1 1 369.258 2.700 20 30 FFEDMM O=c1nc(NN=C2CCCSc3ccc(Cl)cc32)nc2[nH][n-]cc1-2 ZINC000748252269 735630738 /nfs/dbraw/zinc/63/07/38/735630738.db2.gz QGVUSBCRYCXMJK-UHFFFAOYSA-N -1 1 360.830 2.788 20 30 FFEDMM C#C[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000754367390 736152154 /nfs/dbraw/zinc/15/21/54/736152154.db2.gz SVGJPNDWXUQHQK-HNNXBMFYSA-N -1 1 360.410 2.768 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000756893981 736371256 /nfs/dbraw/zinc/37/12/56/736371256.db2.gz LBGZPSGRNWPBGE-ZYHUDNBSSA-N -1 1 365.817 2.534 20 30 FFEDMM C#CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000756973348 736379090 /nfs/dbraw/zinc/37/90/90/736379090.db2.gz ACNXUBMCSINZSN-OAHLLOKOSA-N -1 1 355.375 2.509 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cccc(Cl)c2F)cc1 ZINC000759653661 736584017 /nfs/dbraw/zinc/58/40/17/736584017.db2.gz QRASXGFNKCLDAB-UHFFFAOYSA-N -1 1 371.777 2.841 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ncc(Br)cc2F)c1 ZINC000760154592 736618657 /nfs/dbraw/zinc/61/86/57/736618657.db2.gz XHCUIBHKYWZIHC-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(C)ccc1F ZINC000763355405 736930459 /nfs/dbraw/zinc/93/04/59/736930459.db2.gz FIJJCOIYNOIDTP-UHFFFAOYSA-N -1 1 365.386 2.886 20 30 FFEDMM O=C([O-])c1ccc(N=NCc2ccc(Br)c([N+](=O)[O-])c2)nc1 ZINC000763377463 736932964 /nfs/dbraw/zinc/93/29/64/736932964.db2.gz PEDLRBXYRXPZBH-UHFFFAOYSA-N -1 1 365.143 2.897 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000766060760 737188897 /nfs/dbraw/zinc/18/88/97/737188897.db2.gz VNJKHTKUROATGH-SNVBAGLBSA-N -1 1 366.830 2.674 20 30 FFEDMM COC(=O)c1cnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)s1 ZINC000911288879 737189940 /nfs/dbraw/zinc/18/99/40/737189940.db2.gz RZCPSIOGXCSLAR-SECBINFHSA-N -1 1 365.361 2.771 20 30 FFEDMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000766549159 737240593 /nfs/dbraw/zinc/24/05/93/737240593.db2.gz WMVUNHGMEQCZCM-UHFFFAOYSA-N -1 1 359.407 2.870 20 30 FFEDMM [O-]c1c(Br)cccc1C=NN1C(=S)N=NC1[C@H]1CCCO1 ZINC000915954800 737666874 /nfs/dbraw/zinc/66/68/74/737666874.db2.gz MBWNQAPYGRNGPX-SNVBAGLBSA-N -1 1 369.244 2.769 20 30 FFEDMM COc1c([O-])c(C=NNC(=S)Nc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000773005937 737863128 /nfs/dbraw/zinc/86/31/28/737863128.db2.gz NRMVRKOMJZGDGW-UHFFFAOYSA-N -1 1 360.395 2.938 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cc[nH]c3=O)c2)ccc1Cl ZINC000919960389 737884822 /nfs/dbraw/zinc/88/48/22/737884822.db2.gz UIYBIOWHXPAULY-UHFFFAOYSA-N -1 1 374.809 2.904 20 30 FFEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773773386 737934144 /nfs/dbraw/zinc/93/41/44/737934144.db2.gz UEOXOTVMPXSHQV-UHFFFAOYSA-N -1 1 351.435 2.942 20 30 FFEDMM CC(C)NS(=O)(=O)c1ccc(N=NCc2cccc([O-])c2Cl)nc1 ZINC000814801094 741866584 /nfs/dbraw/zinc/86/65/84/741866584.db2.gz ZYPPWWLCGRRHQP-UHFFFAOYSA-N -1 1 368.846 2.573 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NC([O-])=NO[C@@H]2CCCCO2)n1 ZINC000775721842 738117494 /nfs/dbraw/zinc/11/74/94/738117494.db2.gz KFDIILVORBQJMN-OAHLLOKOSA-N -1 1 361.789 2.977 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)n1 ZINC000775721842 738117496 /nfs/dbraw/zinc/11/74/96/738117496.db2.gz KFDIILVORBQJMN-OAHLLOKOSA-N -1 1 361.789 2.977 20 30 FFEDMM N#CC1(COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000775827335 738129532 /nfs/dbraw/zinc/12/95/32/738129532.db2.gz JJCXARXBACMGQV-UHFFFAOYSA-N -1 1 356.403 2.948 20 30 FFEDMM N#Cc1ccc(OCC[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000778009608 738342030 /nfs/dbraw/zinc/34/20/30/738342030.db2.gz HTOKFTQRBTXAKR-UHFFFAOYSA-N -1 1 372.233 2.617 20 30 FFEDMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000778633484 738399983 /nfs/dbraw/zinc/39/99/83/738399983.db2.gz DMIFJYPHJQYJFM-UHFFFAOYSA-N -1 1 371.890 2.529 20 30 FFEDMM C#CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000785484519 738968125 /nfs/dbraw/zinc/96/81/25/738968125.db2.gz ANQMNAPDLHEOOP-UHFFFAOYSA-N -1 1 359.403 2.676 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1CCCO1 ZINC000788910227 739295124 /nfs/dbraw/zinc/29/51/24/739295124.db2.gz DMEIQIMOTYMRDZ-VHSXEESVSA-N -1 1 352.214 2.592 20 30 FFEDMM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000792477066 739674471 /nfs/dbraw/zinc/67/44/71/739674471.db2.gz XTGDLBDXNRUZDF-LBPRGKRZSA-N -1 1 371.194 2.742 20 30 FFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000794590422 739907552 /nfs/dbraw/zinc/90/75/52/739907552.db2.gz PXLHLRRJEOGMSM-UHFFFAOYSA-N -1 1 364.810 2.993 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1 ZINC000794692880 739920210 /nfs/dbraw/zinc/92/02/10/739920210.db2.gz YGSBMQRGBNREBD-ZDTYVGOBSA-N -1 1 365.179 2.686 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(C)(C)C ZINC000805146257 740945916 /nfs/dbraw/zinc/94/59/16/740945916.db2.gz AFNOVCZQTFTZAG-ZDUSSCGKSA-N -1 1 361.822 2.592 20 30 FFEDMM CN(C)S(=O)(=O)c1ccc(NN=Cc2cccc([O-])c2Cl)cc1 ZINC000814934654 741875808 /nfs/dbraw/zinc/87/58/08/741875808.db2.gz DSTPZZRMBJAPSG-UHFFFAOYSA-N -1 1 353.831 2.742 20 30 FFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCCCOC)s1 ZINC000819534096 742403690 /nfs/dbraw/zinc/40/36/90/742403690.db2.gz RNLJXEVGLXFVOJ-UHFFFAOYSA-N -1 1 350.893 2.923 20 30 FFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]O[C@H](CO)C(C)C)s1 ZINC000819558039 742407148 /nfs/dbraw/zinc/40/71/48/742407148.db2.gz LJFHPXOZRMLPIG-LLVKDONJSA-N -1 1 364.920 2.903 20 30 FFEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2CC(CC#N)C2)c1 ZINC000823692432 742962870 /nfs/dbraw/zinc/96/28/70/742962870.db2.gz AFYIUXLMPYNRNM-UHFFFAOYSA-N -1 1 354.332 2.551 20 30 FFEDMM CC(=O)Nc1ccsc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000735489100 944665934 /nfs/dbraw/zinc/66/59/34/944665934.db2.gz VWOUNHIWGHWONI-UHFFFAOYSA-N -1 1 374.430 2.618 20 30 FFEDMM C=CCC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823894195 946503552 /nfs/dbraw/zinc/50/35/52/946503552.db2.gz JTZYLIXDTODOSW-AWEZNQCLSA-N -1 1 352.398 2.529 20 30 FFEDMM C=CCC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823894195 946503562 /nfs/dbraw/zinc/50/35/62/946503562.db2.gz JTZYLIXDTODOSW-AWEZNQCLSA-N -1 1 352.398 2.529 20 30 FFEDMM CCC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCN1Cc1ccccc1 ZINC001589638928 949647110 /nfs/dbraw/zinc/64/71/10/949647110.db2.gz HMLQSDCEQYBDDB-YLJYHZDGSA-N -1 1 357.454 2.504 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1[O-] ZINC001175943213 1013585271 /nfs/dbraw/zinc/58/52/71/1013585271.db2.gz DMBWDIOVIOAJLF-HOCLYGCPSA-N -1 1 364.323 2.528 20 30 FFEDMM CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cccc(C#N)c1O ZINC000924624906 975451878 /nfs/dbraw/zinc/45/18/78/975451878.db2.gz YIMUBWHSSLNXCV-QGZVFWFLSA-N -1 1 373.478 2.755 20 30 FFEDMM C=CCN1CC[C@@]2(CCCN2C(=O)c2c([O-])ccc3ccccc32)C1=O ZINC001271875587 979201705 /nfs/dbraw/zinc/20/17/05/979201705.db2.gz CTJCLAKPXXXWJO-NRFANRHFSA-N -1 1 350.418 2.939 20 30 FFEDMM C#CCCCc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1C ZINC000908531592 981460520 /nfs/dbraw/zinc/46/05/20/981460520.db2.gz HMEOEUFJQBNEGI-UHFFFAOYSA-N -1 1 352.438 2.576 20 30 FFEDMM C#C[C@@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000761211544 984905103 /nfs/dbraw/zinc/90/51/03/984905103.db2.gz LZHIINPEOIFYKH-CQSZACIVSA-N -1 1 373.430 2.983 20 30 FFEDMM Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)c(C)n1CCN1CCOCC1 ZINC000915934026 989714402 /nfs/dbraw/zinc/71/44/02/989714402.db2.gz SZJLLQORBFJAHQ-UHFFFAOYSA-N -1 1 370.453 2.581 20 30 FFEDMM C[C@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C)C#N)cc2)cc1 ZINC000916076155 989736400 /nfs/dbraw/zinc/73/64/00/989736400.db2.gz XSJJFYZABBYKTB-STQMWFEESA-N -1 1 374.418 2.610 20 30 FFEDMM 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YOLDORMVYSBGJS-MADCSZMMSA-N -1 1 370.279 2.841 20 30 FFEDMM C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC001259145562 1039742736 /nfs/dbraw/zinc/74/27/36/1039742736.db2.gz OUNBBOJICKOGDR-GFCCVEGCSA-N -1 1 364.448 2.518 20 30 FFEDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC001259325093 1039914801 /nfs/dbraw/zinc/91/48/01/1039914801.db2.gz JVODCZFXCFCVBV-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC001259345202 1039926098 /nfs/dbraw/zinc/92/60/98/1039926098.db2.gz WUYLRYQZBJLCJM-UHFFFAOYSA-N -1 1 350.783 2.784 20 30 FFEDMM N#Cc1ccc(N2C[C@H](C(=O)Nc3cc(F)cc(F)c3[O-])CC2=O)cc1 ZINC001299581229 1039978282 /nfs/dbraw/zinc/97/82/82/1039978282.db2.gz OCFPXHMDFOEAGR-LLVKDONJSA-N -1 1 357.316 2.534 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(C2CC2)C3=O)ccc1F ZINC001259419159 1039990236 /nfs/dbraw/zinc/99/02/36/1039990236.db2.gz LRRRWCSMTXSOIR-UHFFFAOYSA-N -1 1 371.393 2.616 20 30 FFEDMM N#Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260288836 1040512977 /nfs/dbraw/zinc/51/29/77/1040512977.db2.gz FGRBVVXVWMYLFN-UHFFFAOYSA-N -1 1 372.780 2.847 20 30 FFEDMM COC(=O)c1cc(-c2nc(-c3ccc(Br)cc3C#N)no2)[n-]n1 ZINC001213461387 1040574651 /nfs/dbraw/zinc/57/46/51/1040574651.db2.gz MLZGOBOMBKJTTR-UHFFFAOYSA-N -1 1 374.154 2.547 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OCC1)C(=O)OCC ZINC001213545982 1040663780 /nfs/dbraw/zinc/66/37/80/1040663780.db2.gz BRIOZRPHISYQJZ-MRXNPFEDSA-N -1 1 365.451 2.627 20 30 FFEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(C)c3)ccc21 ZINC001260798160 1040807158 /nfs/dbraw/zinc/80/71/58/1040807158.db2.gz RWIDFDKGGXIWOQ-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N(C)Cc1nc(C)no1 ZINC001262983192 1042008440 /nfs/dbraw/zinc/00/84/40/1042008440.db2.gz DPVOJPIVBIFBIU-UHFFFAOYSA-N -1 1 360.805 2.818 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1cc2cnccc2o1 ZINC001309795893 1043530540 /nfs/dbraw/zinc/53/05/40/1043530540.db2.gz XRMBEVNNIJVLJI-SNVBAGLBSA-N -1 1 372.362 2.647 20 30 FFEDMM CCOC(=O)c1cnc(N2CCCCC2)nc1-c1ccc([O-])c(C#N)c1 ZINC001242563906 1044751585 /nfs/dbraw/zinc/75/15/85/1044751585.db2.gz NRTFPRUXLXVLFL-UHFFFAOYSA-N -1 1 352.394 2.888 20 30 FFEDMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc2n(C)c1=O ZINC001324803634 1046235204 /nfs/dbraw/zinc/23/52/04/1046235204.db2.gz SFMIIQYPIMDARN-UHFFFAOYSA-N -1 1 367.430 2.714 20 30 FFEDMM C=CCC1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)CCCC1 ZINC001290670086 1048294500 /nfs/dbraw/zinc/29/45/00/1048294500.db2.gz VSCFRPGYTBAIOS-CABCVRRESA-N -1 1 357.454 2.643 20 30 FFEDMM C#CCOc1cccc(NC(=O)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)c1 ZINC001332728915 1048534012 /nfs/dbraw/zinc/53/40/12/1048534012.db2.gz JODRMLHOIRCRCL-OAHLLOKOSA-N -1 1 368.393 2.572 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2cccc(OC)c2C1 ZINC001342121106 1050714882 /nfs/dbraw/zinc/71/48/82/1050714882.db2.gz IQGHMDCJGPMNAK-UHFFFAOYSA-N -1 1 366.425 2.521 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2sc(Cl)cc2C1 ZINC001342176681 1050770469 /nfs/dbraw/zinc/77/04/69/1050770469.db2.gz BPLKKJFCZJMTPN-UHFFFAOYSA-N -1 1 362.846 2.837 20 30 FFEDMM C#CC1CCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC(=C)C)CC1 ZINC001342196172 1050788342 /nfs/dbraw/zinc/78/83/42/1050788342.db2.gz PHPZVEBGUQIMKH-UHFFFAOYSA-N -1 1 364.453 2.744 20 30 FFEDMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001303199786 1051302336 /nfs/dbraw/zinc/30/23/36/1051302336.db2.gz PVUPCPKISFCEMJ-UHFFFAOYSA-N -1 1 359.433 2.898 20 30 FFEDMM N#Cc1sccc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[nH]n1 ZINC001304567222 1051643485 /nfs/dbraw/zinc/64/34/85/1051643485.db2.gz HLLLQMQXZNGWDC-UHFFFAOYSA-N -1 1 352.375 2.952 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)c1ccc(C#N)c([O-])c1 ZINC001304680664 1051668307 /nfs/dbraw/zinc/66/83/07/1051668307.db2.gz QTUROGSCHUIYPU-YWZLYKJASA-N -1 1 371.437 2.783 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H](C2CCOCC2)C1 ZINC001343713198 1052384438 /nfs/dbraw/zinc/38/44/38/1052384438.db2.gz FWAKWVDTQMMJCG-HNNXBMFYSA-N -1 1 372.473 2.593 20 30 FFEDMM O=S1(=O)[N-]/C(=N/Cc2nnc(-c3ccccc3Cl)o2)c2ccccc21 ZINC001345635425 1052549594 /nfs/dbraw/zinc/54/95/94/1052549594.db2.gz BFPQGBRQIAFGSD-UHFFFAOYSA-N -1 1 374.809 2.629 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(C)C1CCC1 ZINC001339597785 1056622311 /nfs/dbraw/zinc/62/23/11/1056622311.db2.gz FDRAFRRZHVZCFF-UHFFFAOYSA-N -1 1 363.425 2.677 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001515915530 1059887284 /nfs/dbraw/zinc/88/72/84/1059887284.db2.gz UNYLWGDFQBEUDO-CHWSQXEVSA-N -1 1 354.458 2.986 20 30 FFEDMM Cn1ncc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)c1-n1cccc1 ZINC001516659594 1060179945 /nfs/dbraw/zinc/17/99/45/1060179945.db2.gz UPGYLVCVDMVOSH-QGZVFWFLSA-N -1 1 370.416 2.946 20 30 FFEDMM N#CC1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2CC2CC2)CC1 ZINC001521153880 1060436449 /nfs/dbraw/zinc/43/64/49/1060436449.db2.gz LKEBUANUUYURCR-UHFFFAOYSA-N -1 1 358.833 2.849 20 30 FFEDMM CC(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001517495033 1060524196 /nfs/dbraw/zinc/52/41/96/1060524196.db2.gz UDGSVIAFBMOLKZ-UHFFFAOYSA-N -1 1 368.832 2.764 20 30 FFEDMM N#C[C@@H](C(=O)COC(F)(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC001355936373 1060742054 /nfs/dbraw/zinc/74/20/54/1060742054.db2.gz URMFUVXHKATKFW-QMMMGPOBSA-N -1 1 371.340 2.988 20 30 FFEDMM N#Cc1c[n-]n2c1nc(CN1CCC(Cc3ccc(F)cc3)CC1)cc2=O ZINC001459402101 1060755788 /nfs/dbraw/zinc/75/57/88/1060755788.db2.gz XQRDPOIRHAPCMF-UHFFFAOYSA-N -1 1 365.412 2.900 20 30 FFEDMM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC001475489151 1061111594 /nfs/dbraw/zinc/11/15/94/1061111594.db2.gz NESDRNHGZDONGK-MNOVXSKESA-N -1 1 351.394 2.852 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC3(CCOCC3)Oc3ccccc32)o1 ZINC001475618379 1061167623 /nfs/dbraw/zinc/16/76/23/1061167623.db2.gz SZOPEJZIPBTVOD-OAHLLOKOSA-N -1 1 374.418 2.503 20 30 FFEDMM C=CCOCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001470445771 1064337579 /nfs/dbraw/zinc/33/75/79/1064337579.db2.gz FYFVYIYEDZIRPP-UHFFFAOYSA-N -1 1 351.200 2.635 20 30 FFEDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)cc1F ZINC001474941373 1065651750 /nfs/dbraw/zinc/65/17/50/1065651750.db2.gz QEWBBSPPAAPKOU-UHFFFAOYSA-N -1 1 367.333 2.532 20 30 FFEDMM N#Cc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)c(F)c1Br ZINC001581873886 1079010902 /nfs/dbraw/zinc/01/09/02/1079010902.db2.gz UYHURIKDJKQVAU-UHFFFAOYSA-N -1 1 374.177 2.647 20 30 FFEDMM N#Cc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)c(F)c1Br ZINC001581873886 1079010903 /nfs/dbraw/zinc/01/09/03/1079010903.db2.gz UYHURIKDJKQVAU-UHFFFAOYSA-N -1 1 374.177 2.647 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1Cl ZINC001581869227 1079011022 /nfs/dbraw/zinc/01/10/22/1079011022.db2.gz NOTLXBJVANUONH-UHFFFAOYSA-N -1 1 366.193 2.754 20 30 FFEDMM N#Cc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)cnc1-c1nnn[n-]1 ZINC001581879589 1079012146 /nfs/dbraw/zinc/01/21/46/1079012146.db2.gz QHFRNDAYCYAUIF-CYBMUJFWSA-N -1 1 352.789 2.523 20 30 FFEDMM N#Cc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)cnc1-c1nn[n-]n1 ZINC001581879589 1079012155 /nfs/dbraw/zinc/01/21/55/1079012155.db2.gz QHFRNDAYCYAUIF-CYBMUJFWSA-N -1 1 352.789 2.523 20 30 FFEDMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H](C)C#N ZINC001585609779 1079480245 /nfs/dbraw/zinc/48/02/45/1079480245.db2.gz HGMCGTIMHWWJOF-CQSZACIVSA-N -1 1 357.435 2.862 20 30 FFEDMM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1nc[nH]c1Br ZINC001561646723 1076402523 /nfs/dbraw/zinc/40/25/23/1076402523.db2.gz GQFYVCVLKSYMST-LBPRGKRZSA-N -1 1 370.272 2.638 20 30 FFEDMM N#Cc1csc(C[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)n1 ZINC001561970187 1076456600 /nfs/dbraw/zinc/45/66/00/1076456600.db2.gz RCTFQIJGIZAVEF-UHFFFAOYSA-N -1 1 370.868 2.756 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC[C@H]32)cc1Br ZINC001562007125 1076464810 /nfs/dbraw/zinc/46/48/10/1076464810.db2.gz XGIGBZGNFDJAKB-ZDSQKVDBSA-N -1 1 373.247 2.927 20 30 FFEDMM C=C(C)Cn1c(-c2[nH]cnc2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588576961 1080105228 /nfs/dbraw/zinc/10/52/28/1080105228.db2.gz IXXCYFKZFJYECN-CQSZACIVSA-N -1 1 358.446 2.634 20 30 FFEDMM C=CCCC(C)(C)NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588577608 1080105242 /nfs/dbraw/zinc/10/52/42/1080105242.db2.gz JGLGNFOBIKDDMM-UHFFFAOYSA-N -1 1 354.336 2.755 20 30 FFEDMM C=CCCCCCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001588596247 1080116673 /nfs/dbraw/zinc/11/66/73/1080116673.db2.gz KNWUGYFLOYMUGP-UHFFFAOYSA-N -1 1 354.370 2.836 20 30 FFEDMM C=C(C)Cn1c(Cc2cc(C)n[nH]2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588598251 1080118430 /nfs/dbraw/zinc/11/84/30/1080118430.db2.gz WSVKBTDDTMDQPU-OAHLLOKOSA-N -1 1 372.473 2.558 20 30 FFEDMM C=CCOc1ccccc1CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001588689281 1080156026 /nfs/dbraw/zinc/15/60/26/1080156026.db2.gz CYUHBMNCWSVCAQ-UHFFFAOYSA-N -1 1 374.404 2.843 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001588703947 1080162157 /nfs/dbraw/zinc/16/21/57/1080162157.db2.gz HDDWCBQGRSCBNK-DGCLKSJQSA-N -1 1 354.418 2.529 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001588703947 1080162162 /nfs/dbraw/zinc/16/21/62/1080162162.db2.gz HDDWCBQGRSCBNK-DGCLKSJQSA-N -1 1 354.418 2.529 20 30 FFEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)nnc1C1CC1 ZINC001588711237 1080166157 /nfs/dbraw/zinc/16/61/57/1080166157.db2.gz LVGGFCUJRSKSHJ-UHFFFAOYSA-N -1 1 370.398 2.581 20 30 FFEDMM C=CCn1c(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)nnc1C1CC1 ZINC001588711237 1080166161 /nfs/dbraw/zinc/16/61/61/1080166161.db2.gz LVGGFCUJRSKSHJ-UHFFFAOYSA-N -1 1 370.398 2.581 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cccc([N+](=O)[O-])c2)o1 ZINC001588781377 1080193667 /nfs/dbraw/zinc/19/36/67/1080193667.db2.gz YWRXSLCEVAJCBS-UHFFFAOYSA-N -1 1 356.346 2.722 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589341588 1080489885 /nfs/dbraw/zinc/48/98/85/1080489885.db2.gz HVZFLUNQWPWWSN-IRXDYDNUSA-N -1 1 357.454 2.899 20 30 FFEDMM Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289850733 257303013 /nfs/dbraw/zinc/30/30/13/257303013.db2.gz PNPURSQZSKYZCC-ZDUSSCGKSA-N -1 1 368.359 2.789 20 30 FFEDMM CC1(F)CC([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000332471354 258231585 /nfs/dbraw/zinc/23/15/85/258231585.db2.gz SFMXBMQUOGKMCO-UHFFFAOYSA-N -1 1 365.199 2.629 20 30 FFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000032702032 506280759 /nfs/dbraw/zinc/28/07/59/506280759.db2.gz MMQMNCQUUDOPMA-UHFFFAOYSA-N -1 1 374.871 2.731 20 30 FFEDMM C=CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000008294891 506640277 /nfs/dbraw/zinc/64/02/77/506640277.db2.gz HAGWPYFEBBNWAQ-UHFFFAOYSA-N -1 1 360.435 2.802 20 30 FFEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000055640136 506809751 /nfs/dbraw/zinc/80/97/51/506809751.db2.gz IREFXZHFTDPJBJ-UHFFFAOYSA-N -1 1 374.418 2.941 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)CC#N ZINC000060294905 507521872 /nfs/dbraw/zinc/52/18/72/507521872.db2.gz YLNBZZSRQQQSOS-UHFFFAOYSA-N -1 1 361.398 2.531 20 30 FFEDMM N#CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000061585613 507624537 /nfs/dbraw/zinc/62/45/37/507624537.db2.gz RZPFMKWURBYPSE-UHFFFAOYSA-N -1 1 369.446 2.863 20 30 FFEDMM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000062553973 507674441 /nfs/dbraw/zinc/67/44/41/507674441.db2.gz CXGLIXPHXTXFJP-CQSZACIVSA-N -1 1 357.435 2.584 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000029329499 507774714 /nfs/dbraw/zinc/77/47/14/507774714.db2.gz SQENWIXNPVOWPI-UHFFFAOYSA-N -1 1 373.434 2.998 20 30 FFEDMM N#C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCN1Cc1ccccc1 ZINC000114311674 508303507 /nfs/dbraw/zinc/30/35/07/508303507.db2.gz FCTBJWNFWXYHOS-MRXNPFEDSA-N -1 1 355.825 2.896 20 30 FFEDMM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cn1 ZINC000077966231 508395338 /nfs/dbraw/zinc/39/53/38/508395338.db2.gz HBLQJVBJCZOOKN-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM CCc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n[nH]1 ZINC000123478911 508693452 /nfs/dbraw/zinc/69/34/52/508693452.db2.gz SBLYNVISHNEAJK-LLVKDONJSA-N -1 1 367.434 2.639 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc(C(C)(C)C)no1 ZINC000123613265 508715129 /nfs/dbraw/zinc/71/51/29/508715129.db2.gz RHIPJLJFNRPZAZ-SECBINFHSA-N -1 1 368.846 2.932 20 30 FFEDMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cccc(C#N)c1 ZINC000143639132 508832948 /nfs/dbraw/zinc/83/29/48/508832948.db2.gz LVJRSZBUMDMXOA-UHFFFAOYSA-N -1 1 361.423 2.505 20 30 FFEDMM N#Cc1cnc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cn1 ZINC000125474503 508988321 /nfs/dbraw/zinc/98/83/21/508988321.db2.gz HTSAGTMKSXWMQW-UHFFFAOYSA-N -1 1 352.375 2.941 20 30 FFEDMM COc1ccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000155444232 509003088 /nfs/dbraw/zinc/00/30/88/509003088.db2.gz GSUDHENYZUMHRU-ZDUSSCGKSA-N -1 1 368.418 2.856 20 30 FFEDMM COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189071059 509396836 /nfs/dbraw/zinc/39/68/36/509396836.db2.gz QTIOXRCUBXQWOV-QGZVFWFLSA-N -1 1 352.390 2.558 20 30 FFEDMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000189677338 509698517 /nfs/dbraw/zinc/69/85/17/509698517.db2.gz HXDKEMYTSBYMEL-UHFFFAOYSA-N -1 1 354.384 2.655 20 30 FFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ncccc2F)c1 ZINC000180265900 509840528 /nfs/dbraw/zinc/84/05/28/509840528.db2.gz AFROVTYHWUGDNX-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1[O-] ZINC000190042582 509902346 /nfs/dbraw/zinc/90/23/46/509902346.db2.gz KHYFBFDNMDZASM-UHFFFAOYSA-N -1 1 369.808 2.515 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1ncc(C(=O)OC)[n-]1 ZINC000193539069 509955754 /nfs/dbraw/zinc/95/57/54/509955754.db2.gz CIUDRQYSFVINPR-NSHDSACASA-N -1 1 365.480 2.953 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc(C(=O)OC)c[n-]1 ZINC000193539069 509955762 /nfs/dbraw/zinc/95/57/62/509955762.db2.gz CIUDRQYSFVINPR-NSHDSACASA-N -1 1 365.480 2.953 20 30 FFEDMM C#CCOc1ccccc1NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000187163784 510096642 /nfs/dbraw/zinc/09/66/42/510096642.db2.gz JHWXTCBWRVMVBN-UHFFFAOYSA-N -1 1 364.405 2.635 20 30 FFEDMM Cc1ccc(CS(=O)(=O)[N-]c2cnn(-c3ncccc3C#N)c2)cc1F ZINC000184224762 510204269 /nfs/dbraw/zinc/20/42/69/510204269.db2.gz VPPNQTNCTUYEMG-UHFFFAOYSA-N -1 1 371.397 2.528 20 30 FFEDMM N#CCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000171595168 510242586 /nfs/dbraw/zinc/24/25/86/510242586.db2.gz WOHKUAJLRIINAZ-UHFFFAOYSA-N -1 1 357.435 2.911 20 30 FFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(C)o1 ZINC000175350404 510603366 /nfs/dbraw/zinc/60/33/66/510603366.db2.gz TUBZIICYTJQEDV-CQSZACIVSA-N -1 1 354.815 2.779 20 30 FFEDMM Cc1c(=O)[n-]c(SCC(=O)N[C@@](C)(C#N)C(C)C)nc1-c1ccccc1 ZINC000185055856 510658690 /nfs/dbraw/zinc/65/86/90/510658690.db2.gz LAGOHLNQUKCLSS-IBGZPJMESA-N -1 1 370.478 2.892 20 30 FFEDMM N#CCCCCS(=O)(=O)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000195117267 510675431 /nfs/dbraw/zinc/67/54/31/510675431.db2.gz KXKZLHALNITLAZ-UHFFFAOYSA-N -1 1 354.819 2.505 20 30 FFEDMM N#CCCCCS(=O)(=O)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000195117267 510675437 /nfs/dbraw/zinc/67/54/37/510675437.db2.gz KXKZLHALNITLAZ-UHFFFAOYSA-N -1 1 354.819 2.505 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1[O-] ZINC000188423433 510760824 /nfs/dbraw/zinc/76/08/24/510760824.db2.gz CKTRMAHSQAKWPB-CQSZACIVSA-N -1 1 373.359 2.874 20 30 FFEDMM N#C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000188450534 510772213 /nfs/dbraw/zinc/77/22/13/510772213.db2.gz GMQVELPNWYGUJR-JTQLQIEISA-N -1 1 367.148 2.997 20 30 FFEDMM Cc1ccc(NCCCNC(=O)c2ccc(C#N)c([O-])c2)c([N+](=O)[O-])c1 ZINC000188493309 510795674 /nfs/dbraw/zinc/79/56/74/510795674.db2.gz ACOTXLHFUALPJG-UHFFFAOYSA-N -1 1 354.366 2.713 20 30 FFEDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172590383 510809541 /nfs/dbraw/zinc/80/95/41/510809541.db2.gz ABFTXAVGYWVKHP-UHFFFAOYSA-N -1 1 357.435 2.678 20 30 FFEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccc(C)c1C ZINC000185370116 510825465 /nfs/dbraw/zinc/82/54/65/510825465.db2.gz KUJAXKUBSRWWST-GOSISDBHSA-N -1 1 372.446 2.758 20 30 FFEDMM CCOC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1C ZINC000188607779 510842119 /nfs/dbraw/zinc/84/21/19/510842119.db2.gz CSQKRJSFPVMGKC-KRWDZBQOSA-N -1 1 352.390 2.997 20 30 FFEDMM C#CCC1(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCCC1 ZINC000276341353 510935072 /nfs/dbraw/zinc/93/50/72/510935072.db2.gz VAZWYKARXQKRMF-UHFFFAOYSA-N -1 1 364.467 2.979 20 30 FFEDMM N#Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000361230128 511017634 /nfs/dbraw/zinc/01/76/34/511017634.db2.gz YLGQJIQTYKHKCN-UHFFFAOYSA-N -1 1 352.350 2.666 20 30 FFEDMM COC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](OC)C3)o1 ZINC000297759205 511059628 /nfs/dbraw/zinc/05/96/28/511059628.db2.gz LVTTZIIXNUSTOE-VIFPVBQESA-N -1 1 360.391 2.755 20 30 FFEDMM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279953691 511279674 /nfs/dbraw/zinc/27/96/74/511279674.db2.gz NHJWUSNFCATTDJ-AWEZNQCLSA-N -1 1 372.446 2.905 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000280023958 511307245 /nfs/dbraw/zinc/30/72/45/511307245.db2.gz VDGGGGRKXHOVFP-QGZVFWFLSA-N -1 1 358.419 2.721 20 30 FFEDMM CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC(F)F ZINC000298676580 511372129 /nfs/dbraw/zinc/37/21/29/511372129.db2.gz RVYHGUBFJOMQPS-NBUZRDOWSA-N -1 1 366.316 2.915 20 30 FFEDMM O=C(Cc1ccc(/N=C/c2ccc(O)c([O-])c2O)cc1)N1CCSCC1 ZINC000299620779 511665456 /nfs/dbraw/zinc/66/54/56/511665456.db2.gz ZUCJWGLQKMMPLU-UDWIEESQSA-N -1 1 372.446 2.672 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(C#N)c1 ZINC000363990167 511891740 /nfs/dbraw/zinc/89/17/40/511891740.db2.gz GLDVFRYYRIPVID-UHFFFAOYSA-N -1 1 359.389 2.996 20 30 FFEDMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2)n1C ZINC000378195390 512633131 /nfs/dbraw/zinc/63/31/31/512633131.db2.gz AZGAJWRXZZZONW-UHFFFAOYSA-N -1 1 367.434 2.771 20 30 FFEDMM CCCc1c([N-]S(=O)(=O)C[C@H]2CCCO2)cnn1-c1cccc(C#N)c1 ZINC000376651661 512921299 /nfs/dbraw/zinc/92/12/99/512921299.db2.gz MNJWRSIVVGECIG-MRXNPFEDSA-N -1 1 374.466 2.617 20 30 FFEDMM C#CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000376779504 512983804 /nfs/dbraw/zinc/98/38/04/512983804.db2.gz PSKNUPHNBSLYLP-GOSISDBHSA-N -1 1 350.418 2.680 20 30 FFEDMM C=C(C)C(C)(C)C(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000424859767 513305882 /nfs/dbraw/zinc/30/58/82/513305882.db2.gz UYFOGFSKBHZLIW-UHFFFAOYSA-N -1 1 356.426 2.867 20 30 FFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccco1 ZINC000451266039 513637952 /nfs/dbraw/zinc/63/79/52/513637952.db2.gz DPBBLCPVSXPIQJ-CYBMUJFWSA-N -1 1 354.815 2.665 20 30 FFEDMM N#CCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000435957307 513727077 /nfs/dbraw/zinc/72/70/77/513727077.db2.gz JEUOINYWWKCJOU-UHFFFAOYSA-N -1 1 369.446 2.911 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436546788 513893428 /nfs/dbraw/zinc/89/34/28/513893428.db2.gz VXPGDCCNNSCHSJ-HNNXBMFYSA-N -1 1 371.393 2.557 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3nc[nH]c3cc2F)n1 ZINC000436698577 513947353 /nfs/dbraw/zinc/94/73/53/513947353.db2.gz QFDKYXFOLRYBPE-SECBINFHSA-N -1 1 358.354 2.825 20 30 FFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431640895 513953183 /nfs/dbraw/zinc/95/31/83/513953183.db2.gz SRHJFJSIRHJVLO-AWEZNQCLSA-N -1 1 367.333 2.751 20 30 FFEDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000443374324 513954139 /nfs/dbraw/zinc/95/41/39/513954139.db2.gz YXAIFNKCEBVREN-UHFFFAOYSA-N -1 1 356.860 2.665 20 30 FFEDMM N#Cc1ccccc1OC1CCC(NC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436997295 514069791 /nfs/dbraw/zinc/06/97/91/514069791.db2.gz IAGJLMIRZWXDNE-UHFFFAOYSA-N -1 1 364.401 2.953 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1F ZINC000427115630 514121572 /nfs/dbraw/zinc/12/15/72/514121572.db2.gz VNNZIDARNHTEOW-UHFFFAOYSA-N -1 1 359.382 2.625 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1F ZINC000427134094 514125718 /nfs/dbraw/zinc/12/57/18/514125718.db2.gz VXPZMVCJUIQOOK-UHFFFAOYSA-N -1 1 363.395 2.542 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1F ZINC000427137389 514126608 /nfs/dbraw/zinc/12/66/08/514126608.db2.gz QTHPYOSHWSBEEG-UHFFFAOYSA-N -1 1 359.382 2.847 20 30 FFEDMM N#CC(CCc1ccccc1)=C([O-])N=c1ccn(CCc2ccncc2)[nH]1 ZINC000433345244 514465562 /nfs/dbraw/zinc/46/55/62/514465562.db2.gz XILUDQGOUQDRFR-IBGZPJMESA-N -1 1 359.433 2.654 20 30 FFEDMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)[n-]1 ZINC000484568457 514694024 /nfs/dbraw/zinc/69/40/24/514694024.db2.gz PGNNUDHZLSGUMJ-QMMMGPOBSA-N -1 1 364.814 2.841 20 30 FFEDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000484568457 514694035 /nfs/dbraw/zinc/69/40/35/514694035.db2.gz PGNNUDHZLSGUMJ-QMMMGPOBSA-N -1 1 364.814 2.841 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000475791944 514812329 /nfs/dbraw/zinc/81/23/29/514812329.db2.gz MCFMVIDIHNFIEM-UHFFFAOYSA-N -1 1 356.382 2.878 20 30 FFEDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000490498569 515230617 /nfs/dbraw/zinc/23/06/17/515230617.db2.gz FNJZWPMXMHCAIR-UHFFFAOYSA-N -1 1 353.831 2.939 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3C)n2)c1C#N ZINC000477133499 515343090 /nfs/dbraw/zinc/34/30/90/515343090.db2.gz GBOKYUDOTNMQER-UHFFFAOYSA-N -1 1 368.418 2.704 20 30 FFEDMM CCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000468826560 515538567 /nfs/dbraw/zinc/53/85/67/515538567.db2.gz FEXATWPALAIQPF-UHFFFAOYSA-N -1 1 363.370 2.628 20 30 FFEDMM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000494330235 515810075 /nfs/dbraw/zinc/81/00/75/515810075.db2.gz OCKYIOIVIGYWMA-MRXNPFEDSA-N -1 1 370.515 2.892 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N3CCCC3)nc2)n1 ZINC000478547547 515866769 /nfs/dbraw/zinc/86/67/69/515866769.db2.gz GYSRYJGWWKBFKS-ZDUSSCGKSA-N -1 1 370.434 2.805 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000474411288 516034312 /nfs/dbraw/zinc/03/43/12/516034312.db2.gz HRLRLZMCMQXIOT-UHFFFAOYSA-N -1 1 366.830 2.630 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c(F)c1 ZINC000548261413 516856086 /nfs/dbraw/zinc/85/60/86/516856086.db2.gz NTCVMLDDNWSCBB-UHFFFAOYSA-N -1 1 374.271 2.614 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000532347024 516926272 /nfs/dbraw/zinc/92/62/72/516926272.db2.gz JBKNGQMEWLGXIC-UHFFFAOYSA-N -1 1 373.434 2.506 20 30 FFEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000537018502 517004330 /nfs/dbraw/zinc/00/43/30/517004330.db2.gz DSUMJTXKPWNFGZ-ZETCQYMHSA-N -1 1 374.709 2.627 20 30 FFEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000559141424 517096942 /nfs/dbraw/zinc/09/69/42/517096942.db2.gz XJWGOIFEIVRYPJ-JTQLQIEISA-N -1 1 365.333 2.736 20 30 FFEDMM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000538016497 517440894 /nfs/dbraw/zinc/44/08/94/517440894.db2.gz KVBBVEORHFSQAS-SNVBAGLBSA-N -1 1 351.378 2.833 20 30 FFEDMM COCc1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)cc1C#N ZINC000530145289 517590926 /nfs/dbraw/zinc/59/09/26/517590926.db2.gz JHCHIWRXMKSGPH-SFHVURJKSA-N -1 1 360.435 2.834 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccc2F)o1 ZINC000549904490 517770718 /nfs/dbraw/zinc/77/07/18/517770718.db2.gz YVSFXGMPOGKQKL-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM C[C@@H](NC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C1CC1 ZINC000581642140 518384354 /nfs/dbraw/zinc/38/43/54/518384354.db2.gz IDAHWOWFLCEKSD-SKDRFNHKSA-N -1 1 356.451 2.798 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)cc1Br ZINC000584571434 518401291 /nfs/dbraw/zinc/40/12/91/518401291.db2.gz UMPHARSSPQUENR-YFKFIEJBSA-N -1 1 359.220 2.537 20 30 FFEDMM CCOC(=O)c1cnc(NC(=O)CCCCOc2cccc(C#N)c2)[n-]1 ZINC000585682445 518560496 /nfs/dbraw/zinc/56/04/96/518560496.db2.gz SEFUMXUKMSTSNI-UHFFFAOYSA-N -1 1 356.382 2.646 20 30 FFEDMM CCOC(=O)c1c[n-]c(NC(=O)CCCCOc2cccc(C#N)c2)n1 ZINC000585682445 518560500 /nfs/dbraw/zinc/56/05/00/518560500.db2.gz SEFUMXUKMSTSNI-UHFFFAOYSA-N -1 1 356.382 2.646 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(-n3cccn3)c2)n1 ZINC000567512656 518564852 /nfs/dbraw/zinc/56/48/52/518564852.db2.gz CWDRYMAYKQVWRV-AWEZNQCLSA-N -1 1 366.402 2.996 20 30 FFEDMM COC(=O)C(C)(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589189696 518946116 /nfs/dbraw/zinc/94/61/16/518946116.db2.gz GOXBZTMVPSVGSI-QGZVFWFLSA-N -1 1 352.390 2.934 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000589199627 518948888 /nfs/dbraw/zinc/94/88/88/518948888.db2.gz DEELDRRMDRGJGU-ZDUSSCGKSA-N -1 1 364.327 2.956 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1C#N ZINC000577337864 519027246 /nfs/dbraw/zinc/02/72/46/519027246.db2.gz QWQDBNUDEZZDTQ-AWEZNQCLSA-N -1 1 355.341 2.844 20 30 FFEDMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccccc3-c3ccccc3C#N)nc2n1 ZINC000589828638 519085168 /nfs/dbraw/zinc/08/51/68/519085168.db2.gz VRCNSLKXLRVPIZ-UHFFFAOYSA-N -1 1 370.372 2.517 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC(C#N)C2)c1 ZINC000590491847 519247101 /nfs/dbraw/zinc/24/71/01/519247101.db2.gz LEIUFNFOUFXHIX-UHFFFAOYSA-N -1 1 369.446 2.700 20 30 FFEDMM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000568914425 519279714 /nfs/dbraw/zinc/27/97/14/519279714.db2.gz CLDWTGIZWWNCHB-UHFFFAOYSA-N -1 1 354.815 2.724 20 30 FFEDMM C=CCC[C@@H](C(=O)N[C@@H](C)c1n[n-]c(C(=O)OCC)n1)c1ccccc1 ZINC000603156048 520119815 /nfs/dbraw/zinc/11/98/15/520119815.db2.gz PVIYJVWLWMJEQW-DZGCQCFKSA-N -1 1 356.426 2.909 20 30 FFEDMM C=CCC[C@@H](C(=O)N[C@@H](C)c1nnc(C(=O)OCC)[n-]1)c1ccccc1 ZINC000603156048 520119819 /nfs/dbraw/zinc/11/98/19/520119819.db2.gz PVIYJVWLWMJEQW-DZGCQCFKSA-N -1 1 356.426 2.909 20 30 FFEDMM C=CCC[C@@H](C(=O)N[C@@H](C)c1nc(C(=O)OCC)n[n-]1)c1ccccc1 ZINC000603156048 520119827 /nfs/dbraw/zinc/11/98/27/520119827.db2.gz PVIYJVWLWMJEQW-DZGCQCFKSA-N -1 1 356.426 2.909 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c(F)c1 ZINC000608858259 520147972 /nfs/dbraw/zinc/14/79/72/520147972.db2.gz NGFGPDDUXIWOGZ-SNVBAGLBSA-N -1 1 352.362 2.885 20 30 FFEDMM CCOC1(CS(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)CCOCC1 ZINC000600640879 520370195 /nfs/dbraw/zinc/37/01/95/520370195.db2.gz NRXWYJJDHDKROB-UHFFFAOYSA-N -1 1 358.847 2.539 20 30 FFEDMM COC(=O)c1cnc([C@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)s1 ZINC000598561638 520707248 /nfs/dbraw/zinc/70/72/48/520707248.db2.gz KEMSLKKELFXHSN-ZDUSSCGKSA-N -1 1 371.418 2.527 20 30 FFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC000598628248 520751473 /nfs/dbraw/zinc/75/14/73/520751473.db2.gz NCBWBTQPGXDLSY-AWEZNQCLSA-N -1 1 373.381 2.959 20 30 FFEDMM COc1ccc(C)cc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000610711077 520808397 /nfs/dbraw/zinc/80/83/97/520808397.db2.gz MRNRXNDHGPGSGB-UHFFFAOYSA-N -1 1 352.362 2.632 20 30 FFEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3nc4ncccn4n3)sc2[C@H](C)C1 ZINC000598840667 520871416 /nfs/dbraw/zinc/87/14/16/520871416.db2.gz XORQYQQVYWXVOV-NXEZZACHSA-N -1 1 352.423 2.996 20 30 FFEDMM COCCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc21 ZINC000618087469 520877016 /nfs/dbraw/zinc/87/70/16/520877016.db2.gz PHRCQRFRWQSQJS-UHFFFAOYSA-N -1 1 370.434 2.664 20 30 FFEDMM CN(C(=O)c1cc(I)ccc1[O-])[C@H]1CCC[C@@H]1C#N ZINC000601809404 520963426 /nfs/dbraw/zinc/96/34/26/520963426.db2.gz FMDWPKOLQAVLPP-SKDRFNHKSA-N -1 1 370.190 2.761 20 30 FFEDMM Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)n2)o1 ZINC000611522357 521199430 /nfs/dbraw/zinc/19/94/30/521199430.db2.gz YFYWIQIMBXRSAT-HNNXBMFYSA-N -1 1 362.393 2.852 20 30 FFEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2)n[nH]1 ZINC000619462058 521581258 /nfs/dbraw/zinc/58/12/58/521581258.db2.gz WDILXWOJVJZFNA-UHFFFAOYSA-N -1 1 353.407 2.647 20 30 FFEDMM CCN1c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2CCC1=O ZINC000619463612 521581387 /nfs/dbraw/zinc/58/13/87/521581387.db2.gz BHXNVTUZWAYFRD-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cccc1-c1nn[nH]n1 ZINC000822122315 607255053 /nfs/dbraw/zinc/25/50/53/607255053.db2.gz KVIXMWIUGMSVPO-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM CCO[C@H]1CC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C12CCC2 ZINC000736616309 599033456 /nfs/dbraw/zinc/03/34/56/599033456.db2.gz NMJJBGWXWXRLKA-LBPRGKRZSA-N -1 1 359.434 2.800 20 30 FFEDMM COCc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1 ZINC000737017170 599127992 /nfs/dbraw/zinc/12/79/92/599127992.db2.gz LQNWZEMYCHDOIE-UHFFFAOYSA-N -1 1 355.402 2.646 20 30 FFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000819811625 598229970 /nfs/dbraw/zinc/22/99/70/598229970.db2.gz SKEASCSVXCWUIT-DYVFJYSZSA-N -1 1 360.801 2.884 20 30 FFEDMM C[C@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735504660 598411377 /nfs/dbraw/zinc/41/13/77/598411377.db2.gz NMNAJCVJLKPVFC-SNVBAGLBSA-N -1 1 353.313 2.867 20 30 FFEDMM C[C@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735504660 598411378 /nfs/dbraw/zinc/41/13/78/598411378.db2.gz NMNAJCVJLKPVFC-SNVBAGLBSA-N -1 1 353.313 2.867 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2COc3cc(Cl)cc(Cl)c32)o1 ZINC000822424214 599337992 /nfs/dbraw/zinc/33/79/92/599337992.db2.gz UIHKFVXVHQPAOA-UHFFFAOYSA-N -1 1 366.168 2.679 20 30 FFEDMM N#CCSCCCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000833068425 600820647 /nfs/dbraw/zinc/82/06/47/600820647.db2.gz YUMYVPYHJQVVCB-INIZCTEOSA-N -1 1 367.902 2.730 20 30 FFEDMM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000739015087 602445195 /nfs/dbraw/zinc/44/51/95/602445195.db2.gz JJLDIHKCXSGPOT-CVEARBPZSA-N -1 1 372.469 2.690 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000738492524 602774599 /nfs/dbraw/zinc/77/45/99/602774599.db2.gz SVRAOJMDCVVOGU-IJEWVQPXSA-N -1 1 365.499 2.629 20 30 FFEDMM COc1ccc(NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000794919908 604640949 /nfs/dbraw/zinc/64/09/49/604640949.db2.gz AGZWJMGXIBEEKQ-LLVKDONJSA-N -1 1 359.338 2.901 20 30 FFEDMM O=C([O-])N1CCCc2cccc(C=Nn3c(C(F)(F)F)n[nH]c3=S)c21 ZINC000832018359 604828352 /nfs/dbraw/zinc/82/83/52/604828352.db2.gz IHZYKWBUPOJJAM-UHFFFAOYSA-N -1 1 371.344 2.898 20 30 FFEDMM CCCn1nc(C)c(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1C ZINC000825361759 607886810 /nfs/dbraw/zinc/88/68/10/607886810.db2.gz ICYJMEFYMPNDLI-UHFFFAOYSA-N -1 1 357.422 2.647 20 30 FFEDMM C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc(F)ccc1[O-] ZINC000823914192 608760582 /nfs/dbraw/zinc/76/05/82/608760582.db2.gz CYMDKBIMWLYPRX-UHFFFAOYSA-N -1 1 353.357 2.540 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 ZINC000745979128 735456355 /nfs/dbraw/zinc/45/63/55/735456355.db2.gz RSPRNPNXNNLVPH-UHFFFAOYSA-N -1 1 359.403 2.594 20 30 FFEDMM C[C@H]1C[C@@H]1c1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000746491428 735487695 /nfs/dbraw/zinc/48/76/95/735487695.db2.gz DAECZTPHSMWIFJ-NHYWBVRUSA-N -1 1 363.395 2.765 20 30 FFEDMM N#CCOc1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000069487090 728198340 /nfs/dbraw/zinc/19/83/40/728198340.db2.gz ZIHWODAPEWVOOP-UHFFFAOYSA-N -1 1 361.195 2.987 20 30 FFEDMM N#C[C@@H](C(=O)Cc1ccoc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000122854694 728652503 /nfs/dbraw/zinc/65/25/03/728652503.db2.gz JSWIWMGPPIOUJL-LBPRGKRZSA-N -1 1 353.403 2.875 20 30 FFEDMM Cc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c1 ZINC000901773477 735837110 /nfs/dbraw/zinc/83/71/10/735837110.db2.gz VICZRYARFYPSTQ-JTQLQIEISA-N -1 1 371.178 2.880 20 30 FFEDMM C=CCSCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000194544144 729513050 /nfs/dbraw/zinc/51/30/50/729513050.db2.gz CINJQKICSISSNL-UHFFFAOYSA-N -1 1 371.709 2.695 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000779846098 738488991 /nfs/dbraw/zinc/48/89/91/738488991.db2.gz VTFCGKPLYPJJJU-JTQLQIEISA-N -1 1 364.354 2.616 20 30 FFEDMM CC(C)N(CCC#N)C(=O)c1ccc(I)cc1[O-] ZINC000865082088 730910453 /nfs/dbraw/zinc/91/04/53/730910453.db2.gz ONZASERUNYUABN-UHFFFAOYSA-N -1 1 358.179 2.761 20 30 FFEDMM CCCCn1cc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c(C)n1 ZINC000872007653 731718181 /nfs/dbraw/zinc/71/81/81/731718181.db2.gz WFMXVFPPEUBJAR-UHFFFAOYSA-N -1 1 354.382 2.942 20 30 FFEDMM CC[C@]1(C)NC(=O)N(N=Cc2cc(C)cc(Br)c2[O-])C1=O ZINC000781583648 738638808 /nfs/dbraw/zinc/63/88/08/738638808.db2.gz HWHSMHRNUSCGBC-AWEZNQCLSA-N -1 1 354.204 2.518 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCSCC2)cc1 ZINC000886422246 733788542 /nfs/dbraw/zinc/78/85/42/733788542.db2.gz IYBMCQYGKYRPEP-UHFFFAOYSA-N -1 1 373.503 2.908 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(Cl)cc1F ZINC000783520390 738811157 /nfs/dbraw/zinc/81/11/57/738811157.db2.gz DIRRETTZEVFLRN-UHFFFAOYSA-N -1 1 357.750 2.700 20 30 FFEDMM N#Cc1ccc(N2CCC(NC(=O)c3c([O-])cccc3Cl)CC2)nc1 ZINC000727491064 734485939 /nfs/dbraw/zinc/48/59/39/734485939.db2.gz XMUMYFHUXCUHAH-UHFFFAOYSA-N -1 1 356.813 2.711 20 30 FFEDMM O=c1nc(NN=Cc2ccc(-c3ccc(Cl)cc3)o2)nc2[nH][n-]cc1-2 ZINC000731157008 734668579 /nfs/dbraw/zinc/66/85/79/734668579.db2.gz AJIIGKZMRZOELN-UHFFFAOYSA-N -1 1 354.757 2.791 20 30 FFEDMM CCO[C@@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C12CCCCC2 ZINC000741460029 735144744 /nfs/dbraw/zinc/14/47/44/735144744.db2.gz JXMOFOPZWCAMHO-MRXNPFEDSA-N -1 1 361.467 2.840 20 30 FFEDMM C[C@@H]1C[C@@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CO1 ZINC000784487970 738897553 /nfs/dbraw/zinc/89/75/53/738897553.db2.gz BJMCYHJREIEIMM-CKYFFXLPSA-N -1 1 357.435 2.877 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccccc1C(F)(F)F ZINC000748248558 735630160 /nfs/dbraw/zinc/63/01/60/735630160.db2.gz QVKXNWTWNKXLDY-UHFFFAOYSA-N -1 1 373.312 2.926 20 30 FFEDMM CC(N=Nc1nc2[nH][n-]cc-2c(=O)n1)[C@H](C)c1nc2ccccc2s1 ZINC000748788040 735671534 /nfs/dbraw/zinc/67/15/34/735671534.db2.gz KYVGUNFTWTXMHQ-QMMMGPOBSA-N -1 1 353.411 2.633 20 30 FFEDMM N#Cc1ccsc1N1CC[C@H](OC(=O)c2c([O-])cc(F)cc2F)C1=O ZINC000751657249 735904407 /nfs/dbraw/zinc/90/44/07/735904407.db2.gz OOEMGBYJJOCROT-LBPRGKRZSA-N -1 1 364.329 2.566 20 30 FFEDMM C#C[C@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000754372169 736152772 /nfs/dbraw/zinc/15/27/72/736152772.db2.gz WNLSJOPARWDYJW-MRXNPFEDSA-N -1 1 356.447 2.937 20 30 FFEDMM Cc1nc2ccccc2c(=O)n1N=Cc1cc(O)cc(Br)c1[O-] ZINC000755488354 736256656 /nfs/dbraw/zinc/25/66/56/736256656.db2.gz UVOMBHIUMNEUPG-UHFFFAOYSA-N -1 1 374.194 2.761 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(F)c(Cl)c1 ZINC000755763041 736277158 /nfs/dbraw/zinc/27/71/58/736277158.db2.gz NGGUEPZQYAAVHB-UHFFFAOYSA-N -1 1 357.750 2.700 20 30 FFEDMM COCC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000905519654 736350371 /nfs/dbraw/zinc/35/03/71/736350371.db2.gz WTIRTZONRIGIPH-CYBMUJFWSA-N -1 1 361.186 2.976 20 30 FFEDMM CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000905539950 736354245 /nfs/dbraw/zinc/35/42/45/736354245.db2.gz GBBBLWWMLARUFT-NSHDSACASA-N -1 1 364.215 2.697 20 30 FFEDMM CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc(Br)cc1[O-] ZINC000756830100 736365175 /nfs/dbraw/zinc/36/51/75/736365175.db2.gz VKPWSBJSKGGRAU-UHFFFAOYSA-N -1 1 350.220 2.847 20 30 FFEDMM Cc1cc(C)c(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)[nH]1 ZINC000760232883 736623828 /nfs/dbraw/zinc/62/38/28/736623828.db2.gz ACZJXEGTTZWRIN-HNNXBMFYSA-N -1 1 355.423 2.906 20 30 FFEDMM C=C(Cl)C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908743267 736823936 /nfs/dbraw/zinc/82/39/36/736823936.db2.gz MZUJXIVCGATAHT-ZIAGYGMSSA-N -1 1 369.849 2.702 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000908753750 736827358 /nfs/dbraw/zinc/82/73/58/736827358.db2.gz PFIIFNLAFXIXLZ-HOTGVXAUSA-N -1 1 351.422 2.537 20 30 FFEDMM C=C(Cl)C[C@@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908927090 736859070 /nfs/dbraw/zinc/85/90/70/736859070.db2.gz ZWZLEXJVNWEIPC-ZIAGYGMSSA-N -1 1 369.849 2.620 20 30 FFEDMM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000763384091 736934038 /nfs/dbraw/zinc/93/40/38/736934038.db2.gz VECQIJOJSPJYHL-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM CCOc1cc(C(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)cc(Cl)c1[O-] ZINC000911703755 737225901 /nfs/dbraw/zinc/22/59/01/737225901.db2.gz PSYQUOVTSWQHMU-VXGBXAGGSA-N -1 1 351.834 2.503 20 30 FFEDMM Cn1ncc(C(F)(F)F)c1C[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000912976256 737365148 /nfs/dbraw/zinc/36/51/48/737365148.db2.gz UGQRLBSCUPEPFV-UHFFFAOYSA-N -1 1 358.270 2.719 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccccc2C(F)(F)F)c2ccccc21 ZINC000914599800 737585855 /nfs/dbraw/zinc/58/58/55/737585855.db2.gz MGIFMAKMFMCVLC-UHFFFAOYSA-N -1 1 353.325 2.778 20 30 FFEDMM O=c1nc(N=NCCCOc2ccc(Cl)c(Cl)c2)nc2[nH][n-]cc1-2 ZINC000777436561 738289589 /nfs/dbraw/zinc/28/95/89/738289589.db2.gz GQCAFUNEZIBSND-UHFFFAOYSA-N -1 1 367.196 2.606 20 30 FFEDMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000793463768 739784657 /nfs/dbraw/zinc/78/46/57/739784657.db2.gz KLFLFKZRJWZXNT-UHFFFAOYSA-N -1 1 365.798 2.731 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)ccc1N1CCCC1 ZINC000794018360 739841070 /nfs/dbraw/zinc/84/10/70/739841070.db2.gz NGQOVJABPSYNSG-UHFFFAOYSA-N -1 1 356.451 2.971 20 30 FFEDMM C=CC[C@H](CCc1ccccc1)OC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000797564575 740257087 /nfs/dbraw/zinc/25/70/87/740257087.db2.gz KNHYWQBCSHBXTG-OAHLLOKOSA-N -1 1 363.435 2.922 20 30 FFEDMM N#Cc1cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1Cl ZINC000799022391 740382003 /nfs/dbraw/zinc/38/20/03/740382003.db2.gz GIWWGVOLBJAXKJ-UHFFFAOYSA-N -1 1 373.762 2.742 20 30 FFEDMM N#Cc1ccccc1NC(=S)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811712228 741551767 /nfs/dbraw/zinc/55/17/67/741551767.db2.gz MHFBGLJTQHZQLD-LLVKDONJSA-N -1 1 370.400 2.646 20 30 FFEDMM CC(N=Nc1ccccc1S(=O)(=O)N(C)C)c1cc(C(=O)[O-])cs1 ZINC000814939898 741875784 /nfs/dbraw/zinc/87/57/84/741875784.db2.gz IMXYDMLKNQRDME-UHFFFAOYSA-N -1 1 367.452 2.533 20 30 FFEDMM C#CCCCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817490480 742153709 /nfs/dbraw/zinc/15/37/09/742153709.db2.gz QZBLEYNYKKZHKV-AWEZNQCLSA-N -1 1 352.356 2.816 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000819509841 742400051 /nfs/dbraw/zinc/40/00/51/742400051.db2.gz IRZKXLWCMGLNRA-JTQLQIEISA-N -1 1 368.821 2.966 20 30 FFEDMM O=C([O-])c1ccc(NN=Cc2c(C(F)(F)F)nc3n2CCCC3)nc1 ZINC000853325938 750048560 /nfs/dbraw/zinc/04/85/60/750048560.db2.gz OIFNIKCGIOKNNH-UHFFFAOYSA-N -1 1 353.304 2.777 20 30 FFEDMM C=C[C@@H](CC)CC(=O)N[C@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573314709 947235190 /nfs/dbraw/zinc/23/51/90/947235190.db2.gz FFTRWWHYIDUEPT-PWSUYJOCSA-N -1 1 363.491 2.541 20 30 FFEDMM COC[C@@]1(C(=O)[O-])CN(Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001593982872 956725487 /nfs/dbraw/zinc/72/54/87/956725487.db2.gz DFBURFVUYMEJOK-OAQYLSRUSA-N -1 1 366.417 2.527 20 30 FFEDMM C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1[nH]c(C)c(C(=O)[O-])c1C ZINC001275902253 1013167302 /nfs/dbraw/zinc/16/73/02/1013167302.db2.gz BHSIYRBIWWZDTJ-HXUWFJFHSA-N -1 1 359.470 2.863 20 30 FFEDMM Cc1cc2c(c(N(CCC#N)Cc3ccc(Cl)cc3)n1)C(=O)[N-]C2=O ZINC001167141166 960247618 /nfs/dbraw/zinc/24/76/18/960247618.db2.gz LPKKXCLJKGORDL-UHFFFAOYSA-N -1 1 354.797 2.847 20 30 FFEDMM C=CCN1CC[C@]2(CCN(C(=O)c3ccc4sccc4c3[O-])C2)C1=O ZINC001271026779 967975735 /nfs/dbraw/zinc/97/57/35/967975735.db2.gz PRLZCRVNLIRKPX-LJQANCHMSA-N -1 1 356.447 2.858 20 30 FFEDMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccc(F)c(C#N)c1 ZINC001087552080 968083611 /nfs/dbraw/zinc/08/36/11/968083611.db2.gz KXIJPAMWMODMNB-DLBZAZTESA-N -1 1 368.412 2.581 20 30 FFEDMM C=CC[C@@H](NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccncc1 ZINC000875298817 1014007741 /nfs/dbraw/zinc/00/77/41/1014007741.db2.gz BMOWSFMUBDHLPJ-CZUORRHYSA-N -1 1 370.375 2.551 20 30 FFEDMM C=CC[C@@H](NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccncc1 ZINC000875298816 1014007996 /nfs/dbraw/zinc/00/79/96/1014007996.db2.gz BMOWSFMUBDHLPJ-CJNGLKHVSA-N -1 1 370.375 2.551 20 30 FFEDMM COc1ccc(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1C#N ZINC001604792502 974029322 /nfs/dbraw/zinc/02/93/22/974029322.db2.gz LDNPRDUKSJANFG-OAHLLOKOSA-N -1 1 369.421 2.751 20 30 FFEDMM C=C1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000982074727 977223495 /nfs/dbraw/zinc/22/34/95/977223495.db2.gz VFGSPCVCTLRBKF-GOEBONIOSA-N -1 1 357.454 2.548 20 30 FFEDMM Cn1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc([S-])cc2)cc1C#N ZINC001272017644 979769388 /nfs/dbraw/zinc/76/93/88/979769388.db2.gz ZNVAVMRWCMGHGD-OALUTQOASA-N -1 1 366.490 2.674 20 30 FFEDMM Cc1nc(C2CC2)oc1C([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000760182310 980184385 /nfs/dbraw/zinc/18/43/85/980184385.db2.gz FZEOGOBCQASYKT-ZDUSSCGKSA-N -1 1 367.361 2.593 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1[O-] ZINC000912183387 983976015 /nfs/dbraw/zinc/97/60/15/983976015.db2.gz ZSZCNVFZRZACII-OALUTQOASA-N -1 1 350.418 2.862 20 30 FFEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000073030514 983992787 /nfs/dbraw/zinc/99/27/87/983992787.db2.gz PRUHMRKWSMUIOX-CQSZACIVSA-N -1 1 362.389 2.534 20 30 FFEDMM Cc1c(C=NNc2cccc(C(=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000912775549 984114719 /nfs/dbraw/zinc/11/47/19/984114719.db2.gz RGCOJLCTSUTYHC-UHFFFAOYSA-N -1 1 350.378 2.629 20 30 FFEDMM COCC#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000785435339 985211897 /nfs/dbraw/zinc/21/18/97/985211897.db2.gz AXMFIRWCQRPETE-UHFFFAOYSA-N -1 1 373.430 2.602 20 30 FFEDMM C#CCOCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000762712144 988600133 /nfs/dbraw/zinc/60/01/33/988600133.db2.gz CDYKTYHSVPVUDE-UHFFFAOYSA-N -1 1 373.430 2.602 20 30 FFEDMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC001599866336 989267167 /nfs/dbraw/zinc/26/71/67/989267167.db2.gz CHXQZTYJXUYJPE-UKRRQHHQSA-N -1 1 373.453 2.849 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OCc2cccnc2)c(=O)o1 ZINC000915981833 989720136 /nfs/dbraw/zinc/72/01/36/989720136.db2.gz ZFEGBCIAWXNCAY-IBDYFIJFSA-N -1 1 363.369 2.889 20 30 FFEDMM CN1CCN(c2cccc(Cl)c2C=[NH+][N-]c2ccc(C(=O)[O-])cn2)CC1 ZINC000763369157 989779758 /nfs/dbraw/zinc/77/97/58/989779758.db2.gz RCYIQPJGQUELMY-UHFFFAOYSA-N -1 1 373.844 2.631 20 30 FFEDMM O=C1C(=N[N-]c2ncnc3[nH]cnc32)c2ccccc2N1Cc1ccccc1 ZINC000917555552 990242857 /nfs/dbraw/zinc/24/28/57/990242857.db2.gz UOQJBLNBTXAEIF-UHFFFAOYSA-N -1 1 369.388 2.716 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)OC)cc2)n1 ZINC000920327282 990834538 /nfs/dbraw/zinc/83/45/38/990834538.db2.gz RFCDMADXNHMXNU-GFCCVEGCSA-N -1 1 373.390 2.988 20 30 FFEDMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000809732845 994584797 /nfs/dbraw/zinc/58/47/97/994584797.db2.gz LTMOOZPDSLWYKJ-JSGCOSHPSA-N -1 1 359.426 2.639 20 30 FFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000811602519 995193217 /nfs/dbraw/zinc/19/32/17/995193217.db2.gz AMDSJLHLBHILFG-ZUOKHONESA-N -1 1 373.453 2.887 20 30 FFEDMM C/C=C\COc1ccc(CCC(C)N=Nc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000731155082 997717118 /nfs/dbraw/zinc/71/71/18/997717118.db2.gz RGZWWEBZNQSTCI-WUUNHUPKSA-N -1 1 366.425 2.808 20 30 FFEDMM COc1c([O-])c(CN2CCN(c3ccsc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000826894399 1016170865 /nfs/dbraw/zinc/17/08/65/1016170865.db2.gz OLOSSIDRVLGZLM-UHFFFAOYSA-N -1 1 374.422 2.564 20 30 FFEDMM C[C@@H]1CCC[C@H](NC(=S)NN=C2CCCc3c(C#N)c(=O)[n-]cc32)[C@H]1C ZINC000844569854 997995498 /nfs/dbraw/zinc/99/54/98/997995498.db2.gz SBHMMROFGWXVCF-WQGACYEGSA-N -1 1 371.510 2.988 20 30 FFEDMM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCc3c(CC#N)cccc3C2)c1 ZINC001599450232 998080553 /nfs/dbraw/zinc/08/05/53/998080553.db2.gz BDZUTAWTLMGINK-HXUWFJFHSA-N -1 1 366.417 2.954 20 30 FFEDMM C=CC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccncc1 ZINC000734461207 999293881 /nfs/dbraw/zinc/29/38/81/999293881.db2.gz XCLKJWOPMWGIIE-KRWDZBQOSA-N -1 1 365.437 2.813 20 30 FFEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000741159699 999711186 /nfs/dbraw/zinc/71/11/86/999711186.db2.gz MUMQFEYAMRNVEK-UHFFFAOYSA-N -1 1 373.434 2.761 20 30 FFEDMM CCN(C)[C@@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000745101546 999893084 /nfs/dbraw/zinc/89/30/84/999893084.db2.gz VRYFAOLYCJCGBQ-NVXWUHKLSA-N -1 1 371.462 2.864 20 30 FFEDMM N#Cc1cccc(O[N-]C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001171248102 1000417174 /nfs/dbraw/zinc/41/71/74/1000417174.db2.gz XEHFJIPOABXVNT-UHFFFAOYSA-N -1 1 366.377 2.793 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1cccc(=O)[nH]1 ZINC001147292476 1000871568 /nfs/dbraw/zinc/87/15/68/1000871568.db2.gz CMKHLZRRPVGRFF-GIJQJNRQSA-N -1 1 367.390 2.574 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785587510 1001454553 /nfs/dbraw/zinc/45/45/53/1001454553.db2.gz IUGAGLAZYRKQIJ-ZDUSSCGKSA-N -1 1 359.426 2.641 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)C1 ZINC000785613116 1001462570 /nfs/dbraw/zinc/46/25/70/1001462570.db2.gz MNHJBEXYYHYHOX-MRXNPFEDSA-N -1 1 371.437 2.878 20 30 FFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000785626224 1001463854 /nfs/dbraw/zinc/46/38/54/1001463854.db2.gz UURVLFLYEPDBNG-QWHCGFSZSA-N -1 1 359.426 2.734 20 30 FFEDMM O=C(COc1ccc(Br)cn1)N([O-])Cc1ccc(F)cc1 ZINC001184349231 1002576969 /nfs/dbraw/zinc/57/69/69/1002576969.db2.gz ZTNZXHDMJGJIFY-UHFFFAOYSA-N -1 1 355.163 2.780 20 30 FFEDMM N#Cc1ccc(I)c(C(=O)Nc2cncc([O-])c2)c1 ZINC001185780745 1003059444 /nfs/dbraw/zinc/05/94/44/1003059444.db2.gz BZMLXYHFIPIQKP-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3C[C@@H](F)C[C@H](CO)C3)c2)c1 ZINC001196308889 1003731212 /nfs/dbraw/zinc/73/12/12/1003731212.db2.gz CWXWFKGJIRBJKZ-KSSFIOAISA-N -1 1 354.381 2.723 20 30 FFEDMM Cc1ccccc1C1([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)COC1 ZINC001196706664 1003920275 /nfs/dbraw/zinc/92/02/75/1003920275.db2.gz JGUTVLISJOOIOT-UHFFFAOYSA-N -1 1 362.838 2.724 20 30 FFEDMM CC(C)(C)c1nc(C(=O)[N-]c2ncc(C#N)cc2Br)no1 ZINC001196979005 1004028570 /nfs/dbraw/zinc/02/85/70/1004028570.db2.gz WDDVACRFRBWALT-UHFFFAOYSA-N -1 1 350.176 2.649 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC001197106504 1004085486 /nfs/dbraw/zinc/08/54/86/1004085486.db2.gz KMBZYWIYEADIPS-VMPITWQZSA-N -1 1 360.366 2.684 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1Br ZINC001193104620 1004374711 /nfs/dbraw/zinc/37/47/11/1004374711.db2.gz LGBLQRYISAOAIK-YFKPBYRVSA-N -1 1 358.139 2.517 20 30 FFEDMM O=S(=O)([N-][C@@H]1C[C@H]1C(F)(F)F)c1cccc(OC(F)(F)F)c1F ZINC001193968509 1004620325 /nfs/dbraw/zinc/62/03/25/1004620325.db2.gz JBHKTKABFXIWPG-PHDIDXHHSA-N -1 1 367.242 2.953 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)NCCc1c(F)cc([O-])cc1F ZINC001195280309 1004930845 /nfs/dbraw/zinc/93/08/45/1004930845.db2.gz YAVOKVXFCXNKGI-UHFFFAOYSA-N -1 1 372.780 2.716 20 30 FFEDMM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cnc1Cl ZINC001195313278 1004939643 /nfs/dbraw/zinc/93/96/43/1004939643.db2.gz WHRKRURFKIGAOI-HNNXBMFYSA-N -1 1 360.797 2.511 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)CCCO)cc2)cc1C#N ZINC001201323909 1005199871 /nfs/dbraw/zinc/19/98/71/1005199871.db2.gz QNFVYSJMXKDBDV-UHFFFAOYSA-N -1 1 358.419 2.623 20 30 FFEDMM O=S(=O)([N-]CCS)c1c(Cl)cc(Br)cc1Cl ZINC001187521037 1006126703 /nfs/dbraw/zinc/12/67/03/1006126703.db2.gz YGJQKOHDBPWILC-UHFFFAOYSA-N -1 1 365.101 2.964 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(OC)c1C#N ZINC001187999003 1006360334 /nfs/dbraw/zinc/36/03/34/1006360334.db2.gz WAMZYSCPZRQRGW-UHFFFAOYSA-N -1 1 359.407 2.581 20 30 FFEDMM CCC(Cc1ccc(C(F)(F)F)cc1)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000853305381 1006362353 /nfs/dbraw/zinc/36/23/53/1006362353.db2.gz YOTUBEUCVNPDHP-UHFFFAOYSA-N -1 1 364.331 2.871 20 30 FFEDMM CCCCCCCCS(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)OC ZINC001188020415 1006381914 /nfs/dbraw/zinc/38/19/14/1006381914.db2.gz WHFBWOOEMOCVOT-AWEZNQCLSA-N -1 1 351.509 2.623 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001116153460 1032157839 /nfs/dbraw/zinc/15/78/39/1032157839.db2.gz IVQCKGZYGBEWNY-JXFKEZNVSA-N -1 1 366.442 2.546 20 30 FFEDMM CC(C)(S)C[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189054239 1006872826 /nfs/dbraw/zinc/87/28/26/1006872826.db2.gz GNVNLVYXCSZKKL-UHFFFAOYSA-N -1 1 360.245 2.714 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1F ZINC001116195959 1032184113 /nfs/dbraw/zinc/18/41/13/1032184113.db2.gz QMSSONRECOWGIF-UHFFFAOYSA-N -1 1 364.398 2.718 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C12CCC2 ZINC000855043041 1007084452 /nfs/dbraw/zinc/08/44/52/1007084452.db2.gz URQUDAHCHIPPOH-HZPDHXFCSA-N -1 1 371.437 2.830 20 30 FFEDMM CC(C)(C#N)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856171465 1007710665 /nfs/dbraw/zinc/71/06/65/1007710665.db2.gz XJGALVFLGXAWAS-ZIAGYGMSSA-N -1 1 367.371 2.599 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)c1C#N ZINC000137529638 1008620943 /nfs/dbraw/zinc/62/09/43/1008620943.db2.gz QWGIHBYINCCXGR-OAHLLOKOSA-N -1 1 371.462 2.893 20 30 FFEDMM C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC000773779790 1009166681 /nfs/dbraw/zinc/16/66/81/1009166681.db2.gz YMFURAAISSMHMW-DOMZBBRYSA-N -1 1 359.426 2.782 20 30 FFEDMM C#CCN1CC2(CCC1=O)CCN(C(=O)c1c([O-])cccc1Cl)CC2 ZINC001274006923 1009242234 /nfs/dbraw/zinc/24/22/34/1009242234.db2.gz JZTPENYONLVJDJ-UHFFFAOYSA-N -1 1 360.841 2.524 20 30 FFEDMM N#Cc1ccc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC001179393765 1009332201 /nfs/dbraw/zinc/33/22/01/1009332201.db2.gz IWWDFDMEZMGAPA-UHFFFAOYSA-N -1 1 352.350 2.587 20 30 FFEDMM CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N([O-])C(=N)c1ccccc1N ZINC001181169089 1010001252 /nfs/dbraw/zinc/00/12/52/1010001252.db2.gz LTJUAMMBSYUQAY-KRWDZBQOSA-N -1 1 368.437 2.657 20 30 FFEDMM COc1cc(C(C)=NNc2ccncc2C)ccc1OCCCC(=O)[O-] ZINC000863157827 1010117767 /nfs/dbraw/zinc/11/77/67/1010117767.db2.gz HLRBCRRFCBGTJA-UHFFFAOYSA-N -1 1 357.410 2.900 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1N1CCOC1=O ZINC000794589152 1010378591 /nfs/dbraw/zinc/37/85/91/1010378591.db2.gz KGLKHWYCHBEQBF-UHFFFAOYSA-N -1 1 371.418 2.819 20 30 FFEDMM N#C[C@@H](C(=O)C[C@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000119869203 1010391508 /nfs/dbraw/zinc/39/15/08/1010391508.db2.gz YLNHSYBHQFHODV-YPMHNXCESA-N -1 1 371.462 2.999 20 30 FFEDMM N#Cc1cnnc(N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1 ZINC000866143671 1010938132 /nfs/dbraw/zinc/93/81/32/1010938132.db2.gz LZQQUDHCIGWDKP-GFCCVEGCSA-N -1 1 361.327 2.652 20 30 FFEDMM C=C(C)CN1CC[C@@]2(CCCN(C(=O)c3ccc([O-])cc3F)CC2)C1=O ZINC001274809922 1011674890 /nfs/dbraw/zinc/67/48/90/1011674890.db2.gz GJECXDDZAQGTFB-FQEVSTJZSA-N -1 1 360.429 2.952 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)c1 ZINC000680809616 1018187142 /nfs/dbraw/zinc/18/71/42/1018187142.db2.gz JGRNYTWVOZJFTL-UHFFFAOYSA-N -1 1 360.435 2.726 20 30 FFEDMM Cc1ccc(C#N)c(NCC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001053354879 1018264600 /nfs/dbraw/zinc/26/46/00/1018264600.db2.gz VXCLZALDFWYUSX-CZUORRHYSA-N -1 1 365.437 2.573 20 30 FFEDMM COc1ccc(C#N)cc1COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801325319 1018846265 /nfs/dbraw/zinc/84/62/65/1018846265.db2.gz CHFXIJPDYRWTLF-UHFFFAOYSA-N -1 1 367.336 2.954 20 30 FFEDMM C=CCN1CC[C@H](OC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1=O ZINC000801409726 1018950499 /nfs/dbraw/zinc/95/04/99/1018950499.db2.gz BSXGXBXSHLJVAF-KRWDZBQOSA-N -1 1 369.421 2.645 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000801451551 1019005693 /nfs/dbraw/zinc/00/56/93/1019005693.db2.gz ZAIDSLJQBFFXAI-LJQANCHMSA-N -1 1 359.426 2.641 20 30 FFEDMM C=CCOc1ccc(C=CC(=O)Nc2cc(C(=O)OCC)[nH]n2)cc1OC ZINC000777836345 1019655447 /nfs/dbraw/zinc/65/54/47/1019655447.db2.gz IVFZGFYNOXZNKR-VQHVLOKHSA-N -1 1 371.393 2.812 20 30 FFEDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C2CC2)c1 ZINC000901966117 1019658258 /nfs/dbraw/zinc/65/82/58/1019658258.db2.gz LYZYOFUXXSATOS-UHFFFAOYSA-N -1 1 370.430 2.952 20 30 FFEDMM N#Cc1c(F)cccc1N1CC[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@@H]21 ZINC001044995187 1019771998 /nfs/dbraw/zinc/77/19/98/1019771998.db2.gz OMGRYDMOVXDINE-GUYCJALGSA-N -1 1 366.396 2.539 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NN2C(=O)c3cccc4cccc(c43)C2=O)c1 ZINC000726736612 1020514264 /nfs/dbraw/zinc/51/42/64/1020514264.db2.gz NOTDXNDFRJRACO-UHFFFAOYSA-N -1 1 374.352 2.962 20 30 FFEDMM COC(=O)c1ccc(N=NCc2cccc(O[C@@H](C)C(=O)[O-])c2)c(OC)c1 ZINC000756902583 1023766025 /nfs/dbraw/zinc/76/60/25/1023766025.db2.gz SFPWTQRVZRBSRJ-LBPRGKRZSA-N -1 1 372.377 2.780 20 30 FFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnn(-c2ccccc2)n1 ZINC000193399732 1024502336 /nfs/dbraw/zinc/50/23/36/1024502336.db2.gz IDMUSMLQDPAMBU-HNNXBMFYSA-N -1 1 365.780 2.882 20 30 FFEDMM N#Cc1c(Cl)nc(Cl)cc1C(F)(F)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001159192026 1027303420 /nfs/dbraw/zinc/30/34/20/1027303420.db2.gz HDALYEYDWPZLCF-UHFFFAOYSA-N -1 1 372.122 2.793 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cnc3cccnc3c2[O-])c(OC(F)(F)F)c1 ZINC001153857406 1028030611 /nfs/dbraw/zinc/03/06/11/1028030611.db2.gz MQGYWVPZHFETIM-UHFFFAOYSA-N -1 1 374.278 2.946 20 30 FFEDMM Cc1cc(=O)c(C(=O)N([O-])Cc2ccc(F)cc2)nn1-c1ccccc1F ZINC001161842358 1028329580 /nfs/dbraw/zinc/32/95/80/1028329580.db2.gz BTGLRWCJHCLQBY-UHFFFAOYSA-N -1 1 371.343 2.851 20 30 FFEDMM N#Cc1[nH]cnc1NC(=O)c1c([O-])cnc2ccc(Br)cc21 ZINC001154534705 1028343274 /nfs/dbraw/zinc/34/32/74/1028343274.db2.gz GJXXILGLHSVPOY-UHFFFAOYSA-N -1 1 358.155 2.550 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N3CCC[C@@H]3c3nccs3)cc(=O)c2c1 ZINC001154555995 1028352992 /nfs/dbraw/zinc/35/29/92/1028352992.db2.gz LBYVAJJWOPQBOV-OAHLLOKOSA-N -1 1 350.403 2.834 20 30 FFEDMM CCOC(=O)c1cncnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155907266 1028969694 /nfs/dbraw/zinc/96/96/94/1028969694.db2.gz UFRATNCHZUQGCF-UHFFFAOYSA-N -1 1 370.287 2.800 20 30 FFEDMM Cc1ccc(N2CCNC2=O)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000782494113 1029720817 /nfs/dbraw/zinc/72/08/17/1029720817.db2.gz GRBZCNZJMLKWMR-UHFFFAOYSA-N -1 1 370.434 2.506 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1N1CCNC1=O ZINC000782518627 1029729079 /nfs/dbraw/zinc/72/90/79/1029729079.db2.gz MMZPJJYMUMDCNR-UHFFFAOYSA-N -1 1 370.434 2.506 20 30 FFEDMM C=CCOc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC000782587428 1029755916 /nfs/dbraw/zinc/75/59/16/1029755916.db2.gz AQWAUZGNIAQPKY-UHFFFAOYSA-N -1 1 358.346 2.711 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(C)(C)C ZINC000799089756 1031642681 /nfs/dbraw/zinc/64/26/81/1031642681.db2.gz WELWKPFPWCLWSC-HNNXBMFYSA-N -1 1 361.442 2.933 20 30 FFEDMM COC[C@H](C)OC[C@H](C)OC[C@H](C)O/C(=N\[O-])c1cc(F)ccc1F ZINC001223888185 1033627214 /nfs/dbraw/zinc/62/72/14/1033627214.db2.gz APMUIJRRUVRTGH-UYDMKJDASA-N -1 1 361.385 2.962 20 30 FFEDMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001227171532 1034961554 /nfs/dbraw/zinc/96/15/54/1034961554.db2.gz DOGYRUILOLESAG-GOSISDBHSA-N -1 1 366.417 2.746 20 30 FFEDMM COCCOc1ccc(C(C)=NNc2ccc(C(=O)[O-])nc2)cc1OC ZINC000835007127 1035486486 /nfs/dbraw/zinc/48/64/86/1035486486.db2.gz PKIFNIIMCVTFRM-UHFFFAOYSA-N -1 1 359.382 2.650 20 30 FFEDMM C=C(C)C(=O)OC[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860812 1036365832 /nfs/dbraw/zinc/36/58/32/1036365832.db2.gz WWXSEZMAVBTDCH-ZETCQYMHSA-N -1 1 350.249 2.601 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229128879 1036512806 /nfs/dbraw/zinc/51/28/06/1036512806.db2.gz DXTMJVJWGWYDOU-ZBEGNZNMSA-N -1 1 372.377 2.636 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c([O-])c(F)c2)[C@@H](C#N)C1 ZINC001140987996 1036625610 /nfs/dbraw/zinc/62/56/10/1036625610.db2.gz JMUNFLJRCRITDY-LBPRGKRZSA-N -1 1 353.369 2.615 20 30 FFEDMM C=CCOC(=O)N1CCC2(CN(Cc3cc(F)c([O-])c(F)c3)C2)CC1 ZINC001140988159 1036625661 /nfs/dbraw/zinc/62/56/61/1036625661.db2.gz QADOXAVNUBFTTQ-UHFFFAOYSA-N -1 1 352.381 2.891 20 30 FFEDMM C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277388227 1036680170 /nfs/dbraw/zinc/68/01/70/1036680170.db2.gz UKPBLNZUFKLWOS-SFHVURJKSA-N -1 1 350.821 2.775 20 30 FFEDMM CCN1CC(Oc2cc([O-])ccc2C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001229586789 1036764175 /nfs/dbraw/zinc/76/41/75/1036764175.db2.gz MEPQPRHDEONXSE-XVNBXDOJSA-N -1 1 355.390 2.782 20 30 FFEDMM COc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O[C@H](C)CON)c1 ZINC001229695641 1036834055 /nfs/dbraw/zinc/83/40/55/1036834055.db2.gz WQQLBOGEZSCYQP-QDBLGGKGSA-N -1 1 359.378 2.660 20 30 FFEDMM C#C[C@@H](Oc1c(C(=O)OC)nc(-c2ccccc2)[n-]c1=O)c1ccncc1 ZINC001234553914 1037083802 /nfs/dbraw/zinc/08/38/02/1037083802.db2.gz HJSBNRDKINPJLU-OAHLLOKOSA-N -1 1 361.357 2.784 20 30 FFEDMM C=C(C)C(=O)OC[C@@H](C)Oc1c(C(=O)OC)nc(-c2ccccc2)[n-]c1=O ZINC001234557530 1037085496 /nfs/dbraw/zinc/08/54/96/1037085496.db2.gz JKOKVFVOMCJYMX-GFCCVEGCSA-N -1 1 372.377 2.522 20 30 FFEDMM COc1c(/C=C/C(=O)c2ccc([O-])cc2)ccc(O)c1OC1CN(C)C1 ZINC001230153388 1037122404 /nfs/dbraw/zinc/12/24/04/1037122404.db2.gz FUNZQNSEWFBQIK-WEVVVXLNSA-N -1 1 355.390 2.695 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)Nc2cc(C#N)c(F)cc2C)[n-]c1=O ZINC001208866096 1038562838 /nfs/dbraw/zinc/56/28/38/1038562838.db2.gz ULFYKIMIYFTFTM-AWEZNQCLSA-N -1 1 371.372 2.879 20 30 FFEDMM CN(C)S(=O)(=O)c1ccc(Nc2cc(Cl)cc(C#N)c2)c([O-])c1 ZINC001210539176 1039602012 /nfs/dbraw/zinc/60/20/12/1039602012.db2.gz RGZQMEMIPDNUBE-UHFFFAOYSA-N -1 1 351.815 2.911 20 30 FFEDMM COc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C#N)c2)n1 ZINC001259118388 1039727836 /nfs/dbraw/zinc/72/78/36/1039727836.db2.gz NCHQEBVXMOBUTG-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(C)c1 ZINC001259418091 1039988274 /nfs/dbraw/zinc/98/82/74/1039988274.db2.gz KTHBLQRHOZQOKU-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)ccc1C#N ZINC001259445470 1040010328 /nfs/dbraw/zinc/01/03/28/1040010328.db2.gz DUEKBOKYMYBEFE-UHFFFAOYSA-N -1 1 354.334 2.969 20 30 FFEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)c(CC#N)c3)ccc21 ZINC001260798967 1040808343 /nfs/dbraw/zinc/80/83/43/1040808343.db2.gz NJRQCXMXISJIPL-UHFFFAOYSA-N -1 1 373.409 2.602 20 30 FFEDMM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC ZINC001261065494 1040969450 /nfs/dbraw/zinc/96/94/50/1040969450.db2.gz SRMYYNKGMKNDHW-LBPRGKRZSA-N -1 1 350.849 2.549 20 30 FFEDMM C#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2C(=O)OC)cc1 ZINC001261062880 1040969118 /nfs/dbraw/zinc/96/91/18/1040969118.db2.gz WWJOATJIPFVOIZ-UHFFFAOYSA-N -1 1 369.851 2.648 20 30 FFEDMM N#Cc1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n1 ZINC001213875153 1041013290 /nfs/dbraw/zinc/01/32/90/1041013290.db2.gz BWTQJZIAVQVMTD-UHFFFAOYSA-N -1 1 353.372 2.574 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001262975344 1042002659 /nfs/dbraw/zinc/00/26/59/1042002659.db2.gz ZRDHKQVZJUFKIR-AOOOYVTPSA-N -1 1 353.760 2.586 20 30 FFEDMM COc1ccc(C([O-])=C(C#N)c2cccc(F)n2)nc1Br ZINC001263379992 1042270903 /nfs/dbraw/zinc/27/09/03/1042270903.db2.gz CTFRNNLQUIJSPB-MRVPVSSYSA-N -1 1 350.147 2.877 20 30 FFEDMM CSc1ncc(-c2cccc([O-])c2Cl)c(COS(C)(=O)=O)n1 ZINC001242799719 1044798175 /nfs/dbraw/zinc/79/81/75/1044798175.db2.gz ZDUOEWGXSKKYHQ-UHFFFAOYSA-N -1 1 360.844 2.701 20 30 FFEDMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001318966132 1044961491 /nfs/dbraw/zinc/96/14/91/1044961491.db2.gz OWHVSVQLDGOYKY-UHFFFAOYSA-N -1 1 364.810 2.993 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(OC2CCCC2)cc1 ZINC001317906357 1045166756 /nfs/dbraw/zinc/16/67/56/1045166756.db2.gz ZBUKZMPTFFKCLB-UHFFFAOYSA-N -1 1 370.430 2.887 20 30 FFEDMM C[C@H](Cc1cccc(Cl)c1)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001319500540 1045175225 /nfs/dbraw/zinc/17/52/25/1045175225.db2.gz DACOULXCYXJHME-LLVKDONJSA-N -1 1 362.838 2.784 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC001318175348 1045234781 /nfs/dbraw/zinc/23/47/81/1045234781.db2.gz HRGATHSFWYRYHC-KBPBESRZSA-N -1 1 360.822 2.709 20 30 FFEDMM C=CC(C)(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001282204289 1045419034 /nfs/dbraw/zinc/41/90/34/1045419034.db2.gz XZCGOWCIHUDDML-CABCVRRESA-N -1 1 359.470 2.746 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=[S@@](C)(=O)c2ccccc2F)cc1C#N ZINC001539637828 1070671886 /nfs/dbraw/zinc/67/18/86/1070671886.db2.gz SYQXYVRIZMZFJM-DEOSSOPVSA-N -1 1 365.411 2.817 20 30 FFEDMM COc1ccc(/C=C(/C)C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1F ZINC001323818371 1045738373 /nfs/dbraw/zinc/73/83/73/1045738373.db2.gz QROMCYVCBMXGTC-LUAWRHEFSA-N -1 1 374.393 2.503 20 30 FFEDMM COc1ccc(/C=C(\C)C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1F ZINC001323818372 1045738638 /nfs/dbraw/zinc/73/86/38/1045738638.db2.gz QROMCYVCBMXGTC-PKNBQFBNSA-N -1 1 374.393 2.503 20 30 FFEDMM C=CCC1(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)CCCCC1 ZINC001289316017 1047627509 /nfs/dbraw/zinc/62/75/09/1047627509.db2.gz HQWUGJDJBGVYBY-HZPDHXFCSA-N -1 1 371.481 2.891 20 30 FFEDMM N#CC(=C([O-])c1cccc(N2CCOC2=O)c1)c1nc(N)c2ccccc2n1 ZINC001342517301 1051121265 /nfs/dbraw/zinc/12/12/65/1051121265.db2.gz DDRITDYEGBFXPE-OAHLLOKOSA-N -1 1 373.372 2.659 20 30 FFEDMM C#C[C@H]1CCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC(C)C)C1 ZINC001342820959 1051427139 /nfs/dbraw/zinc/42/71/39/1051427139.db2.gz VAIRJLUZAKPCFI-AWEZNQCLSA-N -1 1 366.469 2.824 20 30 FFEDMM COc1cc(C([O-])=C(C#N)c2cccc(F)n2)cnc1Br ZINC001343350790 1052178980 /nfs/dbraw/zinc/17/89/80/1052178980.db2.gz NINHZAYAZUARLV-SECBINFHSA-N -1 1 350.147 2.877 20 30 FFEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c1 ZINC001343496613 1052266723 /nfs/dbraw/zinc/26/67/23/1052266723.db2.gz ODHZQBOEOGNNNF-UHFFFAOYSA-N -1 1 374.418 2.875 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC001309311084 1052596687 /nfs/dbraw/zinc/59/66/87/1052596687.db2.gz QEFJOKXVHBHMBE-NSHDSACASA-N -1 1 372.381 2.787 20 30 FFEDMM COc1cccc([C@H](C#N)NC(=O)c2cc(C)cc(C=O)c2[O-])c1OC ZINC001543062443 1071370300 /nfs/dbraw/zinc/37/03/00/1071370300.db2.gz CBPDFRLADNKNNC-HNNXBMFYSA-N -1 1 354.362 2.525 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc2c(cccc2F)s1 ZINC001337587935 1054869483 /nfs/dbraw/zinc/86/94/83/1054869483.db2.gz JORAWHXJAFFAKO-UHFFFAOYSA-N -1 1 360.391 2.919 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)C[C@H]1CCCOC1 ZINC001351918934 1055065051 /nfs/dbraw/zinc/06/50/51/1055065051.db2.gz FWUVCYJZPZSQDG-GFCCVEGCSA-N -1 1 363.849 2.748 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(CC)[C@@H]1CCCOC1 ZINC001338863815 1055882225 /nfs/dbraw/zinc/88/22/25/1055882225.db2.gz SOCFQUHGBKJSRG-CQSZACIVSA-N -1 1 370.457 2.509 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001339003343 1056006159 /nfs/dbraw/zinc/00/61/59/1056006159.db2.gz HLVHRWYIMURSKR-CYBMUJFWSA-N -1 1 357.443 2.666 20 30 FFEDMM C#C[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC001452203837 1059199745 /nfs/dbraw/zinc/19/97/45/1059199745.db2.gz PMXIADSQSJDVPB-SFHVURJKSA-N -1 1 358.401 2.586 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@@](C)(OC)C1 ZINC001520271770 1059557260 /nfs/dbraw/zinc/55/72/60/1059557260.db2.gz JPXGKXOIZUHBIS-LJQANCHMSA-N -1 1 370.457 2.509 20 30 FFEDMM C#C[C@H]1CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000848281314 1059586238 /nfs/dbraw/zinc/58/62/38/1059586238.db2.gz YPFKUAFCGTUCFA-NSHDSACASA-N -1 1 370.327 2.988 20 30 FFEDMM C#C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000848292159 1059611379 /nfs/dbraw/zinc/61/13/79/1059611379.db2.gz XAQQJFBSUKTIKN-MRXNPFEDSA-N -1 1 368.458 2.973 20 30 FFEDMM CN1CCN(c2ccc(C=[NH+][N-]c3ccc(CC(=O)[O-])cc3)cc2)CC1 ZINC000848414320 1059968205 /nfs/dbraw/zinc/96/82/05/1059968205.db2.gz LLAOLDFXLNXLGS-UHFFFAOYSA-N -1 1 352.438 2.512 20 30 FFEDMM C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848473150 1060085124 /nfs/dbraw/zinc/08/51/24/1060085124.db2.gz OKZQXXHHWUBNRY-DGCLKSJQSA-N -1 1 371.407 2.767 20 30 FFEDMM C#CCN(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CCc1ccccc1 ZINC001522484726 1062194770 /nfs/dbraw/zinc/19/47/70/1062194770.db2.gz ZAPBDSVQLQJTGD-UHFFFAOYSA-N -1 1 374.448 2.630 20 30 FFEDMM O=C(C#CC1CC1)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001545695587 1062286322 /nfs/dbraw/zinc/28/63/22/1062286322.db2.gz XROPCBSMQXANLE-UHFFFAOYSA-N -1 1 372.421 2.656 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)[C@H]1CC[C@H]1OC ZINC001524309325 1062798380 /nfs/dbraw/zinc/79/83/80/1062798380.db2.gz WDNMNDQJUFALTG-LSDHHAIUSA-N -1 1 370.457 2.508 20 30 FFEDMM CCOC(=O)[C@@]([N-]C(=O)[C@H](F)C(F)(F)F)(C1CCC1)C(F)(F)F ZINC001531594267 1062815793 /nfs/dbraw/zinc/81/57/93/1062815793.db2.gz IGUOCYCZHKGNOR-XVKPBYJWSA-N -1 1 353.234 2.667 20 30 FFEDMM N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ncc4ccccc4c3[O-])C2)nc1 ZINC001471984504 1064879760 /nfs/dbraw/zinc/87/97/60/1064879760.db2.gz YLOWFOYXJMHZQR-INIZCTEOSA-N -1 1 373.416 2.924 20 30 FFEDMM C[C@@H]1C[C@H]1[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576093277 1078195106 /nfs/dbraw/zinc/19/51/06/1078195106.db2.gz AESFPMBVERKAJM-BCQZVRRWSA-N -1 1 366.816 2.991 20 30 FFEDMM C[C@@H]1C[C@H]1[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576093277 1078195108 /nfs/dbraw/zinc/19/51/08/1078195108.db2.gz AESFPMBVERKAJM-BCQZVRRWSA-N -1 1 366.816 2.991 20 30 FFEDMM CC[C@@H](C)Oc1cc(C)ccc1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001576685675 1078259994 /nfs/dbraw/zinc/25/99/94/1078259994.db2.gz STPYHLKUIFCDFB-GFCCVEGCSA-N -1 1 364.413 2.626 20 30 FFEDMM CC[C@@H](C)Oc1cc(C)ccc1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001576685675 1078259997 /nfs/dbraw/zinc/25/99/97/1078259997.db2.gz STPYHLKUIFCDFB-GFCCVEGCSA-N -1 1 364.413 2.626 20 30 FFEDMM N#C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1Br ZINC001557629907 1075868392 /nfs/dbraw/zinc/86/83/92/1075868392.db2.gz DZLDDJZHBWJRIJ-AWEZNQCLSA-N -1 1 359.179 2.718 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1cccc(F)c1F ZINC001561395475 1076371516 /nfs/dbraw/zinc/37/15/16/1076371516.db2.gz BRJVCOGEFAOWCM-SECBINFHSA-N -1 1 367.333 2.784 20 30 FFEDMM C=CCC1(C(=O)N2C[C@@H](CNC(=O)c3ncccc3[O-])[C@H](C)C2)CCCC1 ZINC001573821803 1077808757 /nfs/dbraw/zinc/80/87/57/1077808757.db2.gz VSKZUFDRSFBOAB-HZPDHXFCSA-N -1 1 371.481 2.748 20 30 FFEDMM C#CCCCC(=O)Nc1c(-c2nnn[n-]2)c(SC)nn1-c1ccccc1 ZINC001588340890 1079990715 /nfs/dbraw/zinc/99/07/15/1079990715.db2.gz KFRLJLORHHTENW-UHFFFAOYSA-N -1 1 367.438 2.516 20 30 FFEDMM C#CCCCC(=O)Nc1c(-c2nn[n-]n2)c(SC)nn1-c1ccccc1 ZINC001588340890 1079990719 /nfs/dbraw/zinc/99/07/19/1079990719.db2.gz KFRLJLORHHTENW-UHFFFAOYSA-N -1 1 367.438 2.516 20 30 FFEDMM C#CCOc1ccccc1-c1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC001588363239 1079993626 /nfs/dbraw/zinc/99/36/26/1079993626.db2.gz SWUAPKFOZSKKKE-UHFFFAOYSA-N -1 1 350.363 2.657 20 30 FFEDMM C#CCOc1ccccc1-c1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC001588363239 1079993630 /nfs/dbraw/zinc/99/36/30/1079993630.db2.gz SWUAPKFOZSKKKE-UHFFFAOYSA-N -1 1 350.363 2.657 20 30 FFEDMM C#Cc1ccc(NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)cc1 ZINC001588374595 1079997622 /nfs/dbraw/zinc/99/76/22/1079997622.db2.gz CFOSOFUHXUKGBH-UHFFFAOYSA-N -1 1 358.283 2.514 20 30 FFEDMM C=C[C@H](CC)CC(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001588521580 1080075231 /nfs/dbraw/zinc/07/52/31/1080075231.db2.gz PSPNBEOAEDVGCN-WLYUNCDWSA-N -1 1 370.457 2.670 20 30 FFEDMM C=CCC(F)(F)C(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001588545891 1080089225 /nfs/dbraw/zinc/08/92/25/1080089225.db2.gz QMLUAFJYGQUYLW-UHFFFAOYSA-N -1 1 359.340 2.511 20 30 FFEDMM C=CCC(F)(F)C(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001588545891 1080089238 /nfs/dbraw/zinc/08/92/38/1080089238.db2.gz QMLUAFJYGQUYLW-UHFFFAOYSA-N -1 1 359.340 2.511 20 30 FFEDMM C=CCCC(=O)N[C@H](C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588571998 1080104013 /nfs/dbraw/zinc/10/40/13/1080104013.db2.gz VPSHDCLWRZCPTK-BDAKNGLRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCCC(=O)N[C@H](C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588571998 1080104016 /nfs/dbraw/zinc/10/40/16/1080104016.db2.gz VPSHDCLWRZCPTK-BDAKNGLRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c(OC)c1 ZINC001588694166 1080159773 /nfs/dbraw/zinc/15/97/73/1080159773.db2.gz DQAVQDMDRDQXGS-UHFFFAOYSA-N -1 1 371.784 2.871 20 30 FFEDMM CC(=O)Nc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC001588876214 1080227092 /nfs/dbraw/zinc/22/70/92/1080227092.db2.gz OQEPJWJGUHUNJC-UHFFFAOYSA-N -1 1 368.401 2.557 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC(C2CCC2)[C@H]2CCCO2)o1 ZINC001589238263 1080439725 /nfs/dbraw/zinc/43/97/25/1080439725.db2.gz QQTAIUUELAJBLB-LLVKDONJSA-N -1 1 359.434 2.899 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(C(C)(C)C)nc2)o1 ZINC001589243884 1080442935 /nfs/dbraw/zinc/44/29/35/1080442935.db2.gz MFGUCCNKFWTKPL-UHFFFAOYSA-N -1 1 369.433 2.686 20 30 FFEDMM CC1(C)CC[C@@H](CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c2ccccc21 ZINC001590091513 1081002858 /nfs/dbraw/zinc/00/28/58/1081002858.db2.gz ZFQOPILHPOLQDU-LBPRGKRZSA-N -1 1 360.425 2.795 20 30 FFEDMM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001590209948 1081095198 /nfs/dbraw/zinc/09/51/98/1081095198.db2.gz QWAZSVJYZICBKP-CFVMTHIKSA-N -1 1 360.425 2.913 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ncc(-c2ccccc2)o1 ZINC000372988485 512120385 /nfs/dbraw/zinc/12/03/85/512120385.db2.gz BJCVCNCFFUYMGN-LBPRGKRZSA-N -1 1 354.391 2.648 20 30 FFEDMM N#Cc1cccc(OC2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000289280364 257271494 /nfs/dbraw/zinc/27/14/94/257271494.db2.gz XTVUPEBPQCRVNC-UHFFFAOYSA-N -1 1 350.374 2.517 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C=CCCC2)cc1Br ZINC000331304216 258181904 /nfs/dbraw/zinc/18/19/04/258181904.db2.gz FRLIYJOGTRYZGY-SNVBAGLBSA-N -1 1 359.220 2.847 20 30 FFEDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)ccc21 ZINC000063878648 132374993 /nfs/dbraw/zinc/37/49/93/132374993.db2.gz JZQHSEXEFBUKKG-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc[nH]n3)cc2)cc1 ZINC000023141881 507334000 /nfs/dbraw/zinc/33/40/00/507334000.db2.gz IQGDBHKXVCKGFF-UHFFFAOYSA-N -1 1 357.395 2.550 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000023710352 507367501 /nfs/dbraw/zinc/36/75/01/507367501.db2.gz JBPVWAQKRZZFGU-UHFFFAOYSA-N -1 1 358.419 2.606 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CC#N)cc2)cc1 ZINC000064346337 507791785 /nfs/dbraw/zinc/79/17/85/507791785.db2.gz MDNKCKRAQVDFKS-ZDUSSCGKSA-N -1 1 373.434 2.528 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000075276371 508093170 /nfs/dbraw/zinc/09/31/70/508093170.db2.gz JICNKWOVRZXETF-GFCCVEGCSA-N -1 1 363.421 2.733 20 30 FFEDMM C=CCNC(=O)c1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000081574111 508191614 /nfs/dbraw/zinc/19/16/14/508191614.db2.gz JSXAVRQUIOLDOK-UHFFFAOYSA-N -1 1 368.437 2.544 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000076937327 508264414 /nfs/dbraw/zinc/26/44/14/508264414.db2.gz XOOFUUXRLIILJL-UHFFFAOYSA-N -1 1 355.419 2.942 20 30 FFEDMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000113861954 508283651 /nfs/dbraw/zinc/28/36/51/508283651.db2.gz ZSDRCZCTVRBWLH-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673435 508335672 /nfs/dbraw/zinc/33/56/72/508335672.db2.gz UWLUPVJEVVNSPF-UHFFFAOYSA-N -1 1 367.434 2.946 20 30 FFEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)C1CC1 ZINC000134464003 508536352 /nfs/dbraw/zinc/53/63/52/508536352.db2.gz UBKGKULUUUUETD-UHFFFAOYSA-N -1 1 369.446 2.870 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1noc(-c2ccccc2)n1 ZINC000128208865 508563422 /nfs/dbraw/zinc/56/34/22/508563422.db2.gz LTVIPCXNXWLKEX-LLVKDONJSA-N -1 1 372.381 2.787 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc2c(c1)OCO2 ZINC000124140571 508787582 /nfs/dbraw/zinc/78/75/82/508787582.db2.gz FPQBQTRVYHWIOH-VIFPVBQESA-N -1 1 366.345 2.605 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OCCCC#N ZINC000144650640 508840447 /nfs/dbraw/zinc/84/04/47/508840447.db2.gz STKXROLVXOZHHK-WSSFADSRSA-N -1 1 369.373 2.606 20 30 FFEDMM N#C[C@H](C(=O)NC1CCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155664791 509048143 /nfs/dbraw/zinc/04/81/43/509048143.db2.gz SUUKBELVQMIOSH-ZDUSSCGKSA-N -1 1 370.478 2.919 20 30 FFEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)o1 ZINC000120933811 509091566 /nfs/dbraw/zinc/09/15/66/509091566.db2.gz MNTDSNSVKGVCJB-MRXNPFEDSA-N -1 1 366.414 2.660 20 30 FFEDMM N#CC1(NC(=O)c2cc(I)ccc2[O-])CCCCC1 ZINC000220023333 509296080 /nfs/dbraw/zinc/29/60/80/509296080.db2.gz MAZUKWVKUNJLNN-UHFFFAOYSA-N -1 1 370.190 2.953 20 30 FFEDMM CN(C(=O)c1cc(I)ccc1[O-])C1(C#N)CCC1 ZINC000179452130 509450871 /nfs/dbraw/zinc/45/08/71/509450871.db2.gz SOVDREYOTRVUTG-UHFFFAOYSA-N -1 1 356.163 2.515 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000192704621 509604822 /nfs/dbraw/zinc/60/48/22/509604822.db2.gz GFZVCABVRWQAEG-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM N#CC1(NC(=O)c2cc(I)ccc2[O-])CCCC1 ZINC000192728465 509617455 /nfs/dbraw/zinc/61/74/55/509617455.db2.gz MGTNLIZKVBVXQI-UHFFFAOYSA-N -1 1 356.163 2.563 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1C(F)(F)F ZINC000268506178 509975488 /nfs/dbraw/zinc/97/54/88/509975488.db2.gz UXLNYJOXGJOABH-UHFFFAOYSA-N -1 1 356.329 2.978 20 30 FFEDMM CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000190483329 510157726 /nfs/dbraw/zinc/15/77/26/510157726.db2.gz ZPRCOPUKPIGKEX-UHFFFAOYSA-N -1 1 351.406 2.676 20 30 FFEDMM COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(SC)cc1OC ZINC000265885078 510281661 /nfs/dbraw/zinc/28/16/61/510281661.db2.gz WAPWJGYNONOJNV-FUTAKVPZSA-N -1 1 362.403 2.654 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000177990717 510363420 /nfs/dbraw/zinc/36/34/20/510363420.db2.gz AVMNIFQBMKZTFQ-UHFFFAOYSA-N -1 1 350.783 2.640 20 30 FFEDMM N#CC(=C([O-])c1ccnc(O[C@H]2CCOC2)c1)c1cnc2ccccc2n1 ZINC000190883515 510392796 /nfs/dbraw/zinc/39/27/96/510392796.db2.gz YOPVHUMLZYZNSO-GJZGRUSLSA-N -1 1 360.373 2.683 20 30 FFEDMM Cc1c(=O)[n-]c(SCC(=O)N[C@](C)(C#N)C2CC2)nc1-c1ccccc1 ZINC000185054474 510658815 /nfs/dbraw/zinc/65/88/15/510658815.db2.gz HOUVFOAWEPKULH-LJQANCHMSA-N -1 1 368.462 2.646 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1[O-] ZINC000188413389 510755516 /nfs/dbraw/zinc/75/55/16/510755516.db2.gz JUHZOQTYCKDTJE-UHFFFAOYSA-N -1 1 354.753 2.897 20 30 FFEDMM C[C@@H](CC#N)N(C)S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000285511566 510936651 /nfs/dbraw/zinc/93/66/51/510936651.db2.gz GAYFKAGGDGMIMM-JTQLQIEISA-N -1 1 351.806 2.500 20 30 FFEDMM CSc1nc(C)c(CCC(=O)OCc2ccc(CC#N)cc2)c(=O)[n-]1 ZINC000271808024 511330624 /nfs/dbraw/zinc/33/06/24/511330624.db2.gz AGPDPLCWFILWTO-UHFFFAOYSA-N -1 1 357.435 2.955 20 30 FFEDMM C=C(C)Cn1c(C2CC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000283444929 511369092 /nfs/dbraw/zinc/36/90/92/511369092.db2.gz ZCUUYFASKCKWAH-UHFFFAOYSA-N -1 1 371.407 2.627 20 30 FFEDMM CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC(F)F ZINC000298676574 511372602 /nfs/dbraw/zinc/37/26/02/511372602.db2.gz RVYHGUBFJOMQPS-MQDFFIGUSA-N -1 1 366.316 2.915 20 30 FFEDMM CC(C)(C)OC(=O)NCCCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000292869626 511752442 /nfs/dbraw/zinc/75/24/42/511752442.db2.gz BVIJYYWELHHTHX-UHFFFAOYSA-N -1 1 371.459 2.513 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)o1 ZINC000376320996 512765663 /nfs/dbraw/zinc/76/56/63/512765663.db2.gz IUYIUTUIYQAFRZ-UHFFFAOYSA-N -1 1 363.395 2.892 20 30 FFEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1C#N ZINC000435139769 513521198 /nfs/dbraw/zinc/52/11/98/513521198.db2.gz GCSOJZLKUUDMAL-UHFFFAOYSA-N -1 1 374.418 2.917 20 30 FFEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C#N)c3)cc21 ZINC000451118214 513535178 /nfs/dbraw/zinc/53/51/78/513535178.db2.gz XBQPIZAKPNRFHY-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000435475838 513600387 /nfs/dbraw/zinc/60/03/87/513600387.db2.gz YEPVGXORDJXPDE-UHFFFAOYSA-N -1 1 358.423 2.761 20 30 FFEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000416527799 513818118 /nfs/dbraw/zinc/81/81/18/513818118.db2.gz GQTRLDQENWDQCZ-UHFFFAOYSA-N -1 1 374.235 2.678 20 30 FFEDMM C=CCc1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2[O-])c(OC)c1 ZINC000436504753 513877164 /nfs/dbraw/zinc/87/71/64/513877164.db2.gz OBDOQRXJRJFCGC-UHFFFAOYSA-N -1 1 371.389 2.933 20 30 FFEDMM CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443125983 513880680 /nfs/dbraw/zinc/88/06/80/513880680.db2.gz XODBUFMHFMHFBY-MRXNPFEDSA-N -1 1 372.808 2.821 20 30 FFEDMM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443313550 513931907 /nfs/dbraw/zinc/93/19/07/513931907.db2.gz PZAYFZXUCZQPDP-AWEZNQCLSA-N -1 1 365.433 2.905 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C(=O)N(C)C ZINC000427251927 514162089 /nfs/dbraw/zinc/16/20/89/514162089.db2.gz UTSMPDYGPAUVEG-UHFFFAOYSA-N -1 1 361.398 2.508 20 30 FFEDMM Cc1ccc(F)c(-c2cc(=NC(=O)COc3ccc(C#N)cc3)[nH][n-]2)c1 ZINC000444809889 514341739 /nfs/dbraw/zinc/34/17/39/514341739.db2.gz DGVKSNKXQPAPKQ-UHFFFAOYSA-N -1 1 350.353 2.835 20 30 FFEDMM CN(C)c1nc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc(=O)[n-]1 ZINC000452686087 514457147 /nfs/dbraw/zinc/45/71/47/514457147.db2.gz RKNJGWNMVVJYFS-UHFFFAOYSA-N -1 1 355.398 2.549 20 30 FFEDMM CS(=O)(=O)[N-]c1ccc(Oc2nc(C(F)(F)F)ccc2C#N)cn1 ZINC000439131602 514498555 /nfs/dbraw/zinc/49/85/55/514498555.db2.gz WCPFVYXCPKCRBR-UHFFFAOYSA-N -1 1 358.301 2.531 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000507920073 514612343 /nfs/dbraw/zinc/61/23/43/514612343.db2.gz JSJZOCOIEBNRIK-UHFFFAOYSA-N -1 1 359.407 2.562 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2OC)c1 ZINC000479573635 514636945 /nfs/dbraw/zinc/63/69/45/514636945.db2.gz LSMRIKXWZXGTNX-UHFFFAOYSA-N -1 1 364.398 2.551 20 30 FFEDMM N#Cc1ccccc1Sc1ccccc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470987569 514707559 /nfs/dbraw/zinc/70/75/59/514707559.db2.gz ZVPJNNCHYZSKTE-UHFFFAOYSA-N -1 1 362.418 2.642 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CC#N)c2)c1 ZINC000484819721 514805877 /nfs/dbraw/zinc/80/58/77/514805877.db2.gz AIYLPGWVCFJVEF-CQSZACIVSA-N -1 1 357.435 2.828 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000476060818 514903496 /nfs/dbraw/zinc/90/34/96/514903496.db2.gz KYOFFVJMPKXPQL-INIZCTEOSA-N -1 1 363.421 2.756 20 30 FFEDMM CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000467132404 514910691 /nfs/dbraw/zinc/91/06/91/514910691.db2.gz VGWURXPSUBQDHP-UHFFFAOYSA-N -1 1 352.362 2.714 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(F)c1 ZINC000493281635 515617337 /nfs/dbraw/zinc/61/73/37/515617337.db2.gz QPCDOROTICSSDW-UHFFFAOYSA-N -1 1 363.345 2.522 20 30 FFEDMM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000505804872 515678511 /nfs/dbraw/zinc/67/85/11/515678511.db2.gz HYZJJGQGXRFANY-QGZVFWFLSA-N -1 1 360.439 2.760 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncccc1Br ZINC000464416143 515815110 /nfs/dbraw/zinc/81/51/10/515815110.db2.gz GIUUCKWUPMFFEM-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc2[nH]ccc21 ZINC000517995731 516516562 /nfs/dbraw/zinc/51/65/62/516516562.db2.gz VAUNAMPFCOVDRN-UHFFFAOYSA-N -1 1 355.375 2.627 20 30 FFEDMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(CC#N)cc2)n[n-]1 ZINC000552008304 517024382 /nfs/dbraw/zinc/02/43/82/517024382.db2.gz SLHRVILLCQPFAV-HNNXBMFYSA-N -1 1 369.425 2.565 20 30 FFEDMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(CC#N)cc2)[n-]1 ZINC000552008304 517024392 /nfs/dbraw/zinc/02/43/92/517024392.db2.gz SLHRVILLCQPFAV-HNNXBMFYSA-N -1 1 369.425 2.565 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ccc(CC#N)cc2)n1 ZINC000552008304 517024399 /nfs/dbraw/zinc/02/43/99/517024399.db2.gz SLHRVILLCQPFAV-HNNXBMFYSA-N -1 1 369.425 2.565 20 30 FFEDMM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)o1 ZINC000532761814 517133815 /nfs/dbraw/zinc/13/38/15/517133815.db2.gz PRCCHHJTIRKGEP-PWSUYJOCSA-N -1 1 361.379 2.661 20 30 FFEDMM CC(C)(C#N)CCS(=O)(=O)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000556074054 517255602 /nfs/dbraw/zinc/25/56/02/517255602.db2.gz XOYFTMMETOJYFZ-UHFFFAOYSA-N -1 1 368.846 2.751 20 30 FFEDMM CC(C)(C#N)CCS(=O)(=O)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000556074054 517255607 /nfs/dbraw/zinc/25/56/07/517255607.db2.gz XOYFTMMETOJYFZ-UHFFFAOYSA-N -1 1 368.846 2.751 20 30 FFEDMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1C#N ZINC000530144939 517588318 /nfs/dbraw/zinc/58/83/18/517588318.db2.gz KLJXLSZVHUDKFU-GFCCVEGCSA-N -1 1 358.419 2.829 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCO[C@H]2CCCc3ccccc32)o1 ZINC000553495170 517745126 /nfs/dbraw/zinc/74/51/26/517745126.db2.gz UMQISIYZWNNUHR-KRWDZBQOSA-N -1 1 360.435 2.914 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3F)c2)o1 ZINC000553877168 517947777 /nfs/dbraw/zinc/94/77/77/517947777.db2.gz VLRVPLQMBMWJLZ-UHFFFAOYSA-N -1 1 373.365 2.956 20 30 FFEDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C2CC2)no1 ZINC000564770248 518606441 /nfs/dbraw/zinc/60/64/41/518606441.db2.gz MWYJLUWZQDQSFU-HNNXBMFYSA-N -1 1 366.830 2.507 20 30 FFEDMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc([O-])cc(C#N)c2)[nH][nH]1 ZINC000589175578 518940626 /nfs/dbraw/zinc/94/06/26/518940626.db2.gz SHROXKNJDBBRLO-UHFFFAOYSA-N -1 1 368.780 2.990 20 30 FFEDMM COc1cc(CC2CN(C(=O)c3cc([O-])cc(C#N)c3)C2)cc(OC)c1 ZINC000589189928 518946551 /nfs/dbraw/zinc/94/65/51/518946551.db2.gz AVHOERUHVQYDGT-UHFFFAOYSA-N -1 1 352.390 2.596 20 30 FFEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1-n1nnnc1C(C)C ZINC000589201883 518948588 /nfs/dbraw/zinc/94/85/88/518948588.db2.gz GCNFVGBWGNLWDQ-UHFFFAOYSA-N -1 1 362.393 2.924 20 30 FFEDMM C=CCc1ccccc1OC[C@H](O)CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000582976035 519016409 /nfs/dbraw/zinc/01/64/09/519016409.db2.gz MOMUROQUMVUNKO-GOSISDBHSA-N -1 1 367.445 2.911 20 30 FFEDMM Cc1c(Br)ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1F ZINC000583433512 519245054 /nfs/dbraw/zinc/24/50/54/519245054.db2.gz INDUAIVGQAUJDX-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)c2ncco2)CCCC1 ZINC000594487118 519996203 /nfs/dbraw/zinc/99/62/03/519996203.db2.gz FOVHCIOOIHZKNO-MRXNPFEDSA-N -1 1 359.451 2.962 20 30 FFEDMM N#CCCC[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594777348 520151254 /nfs/dbraw/zinc/15/12/54/520151254.db2.gz ZMYGGBMTQBMYIM-CQSZACIVSA-N -1 1 360.395 2.703 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2ncccc2Br)CCCCC1 ZINC000594883459 520204919 /nfs/dbraw/zinc/20/49/19/520204919.db2.gz CIMYSNBAKJZBTJ-UHFFFAOYSA-N -1 1 358.261 2.596 20 30 FFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1)C(C)C ZINC000592353098 520346020 /nfs/dbraw/zinc/34/60/20/520346020.db2.gz SBBYDJHRCPGZLZ-CYBMUJFWSA-N -1 1 361.261 2.733 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC1(C#N)CCCCC1 ZINC000598308634 520550943 /nfs/dbraw/zinc/55/09/43/520550943.db2.gz NYDMPZVEASYUOQ-UHFFFAOYSA-N -1 1 355.442 2.575 20 30 FFEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1C ZINC000614468315 520984179 /nfs/dbraw/zinc/98/41/79/520984179.db2.gz UVIMYJDXNKRRHW-NSHDSACASA-N -1 1 367.434 2.808 20 30 FFEDMM COC(=O)[C@@H]1C[C@H]1c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000601978946 521055187 /nfs/dbraw/zinc/05/51/87/521055187.db2.gz XRASCVMISRSBJD-DLBZAZTESA-N -1 1 370.430 2.830 20 30 FFEDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccs1 ZINC000593595426 521097576 /nfs/dbraw/zinc/09/75/76/521097576.db2.gz FEZWUQBLECYJSF-CYBMUJFWSA-N -1 1 356.494 2.719 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1[O-] ZINC000615477840 521418690 /nfs/dbraw/zinc/41/86/90/521418690.db2.gz IKDSECMSIREHMN-UHFFFAOYSA-N -1 1 355.438 2.519 20 30 FFEDMM C=CC[C@@H](C(=O)Nc1nc2nc(CCC)cc(=O)n2[n-]1)c1ccccc1 ZINC000622997370 523609878 /nfs/dbraw/zinc/60/98/78/523609878.db2.gz WPPMAQVIIPSYHV-OAHLLOKOSA-N -1 1 351.410 2.669 20 30 FFEDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000737301414 598930293 /nfs/dbraw/zinc/93/02/93/598930293.db2.gz MJLKXGBMZAHBME-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM C#CCOc1cccc([C@H](C)OC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000735381593 599027353 /nfs/dbraw/zinc/02/73/53/599027353.db2.gz WGBIGROBIHWLDN-NSHDSACASA-N -1 1 354.391 2.858 20 30 FFEDMM C#CCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735380347 599196193 /nfs/dbraw/zinc/19/61/93/599196193.db2.gz GCYGUWZUSMCSEG-UHFFFAOYSA-N -1 1 353.769 2.675 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000735502013 598496383 /nfs/dbraw/zinc/49/63/83/598496383.db2.gz BJMJNXZVPQEBIN-NSHDSACASA-N -1 1 366.385 2.715 20 30 FFEDMM C#CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000736090271 599838712 /nfs/dbraw/zinc/83/87/12/599838712.db2.gz YGDMQIRCDQRBDB-UHFFFAOYSA-N -1 1 365.794 2.851 20 30 FFEDMM C[C@H](CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000736571648 600372495 /nfs/dbraw/zinc/37/24/95/600372495.db2.gz MDEUYCSCQSFRIK-VXGBXAGGSA-N -1 1 363.483 2.868 20 30 FFEDMM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc(C#N)cc1 ZINC000827728009 600692406 /nfs/dbraw/zinc/69/24/06/600692406.db2.gz OMVQZPWJSJHHFR-XHDPSFHLSA-N -1 1 355.419 2.774 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000825967383 601937983 /nfs/dbraw/zinc/93/79/83/601937983.db2.gz VASVPKZOVSTRPH-SCLBCKFNSA-N -1 1 361.467 2.673 20 30 FFEDMM N#Cc1cc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)ccn1 ZINC000826383755 607549483 /nfs/dbraw/zinc/54/94/83/607549483.db2.gz ORQRSPYFAMKKNV-UHFFFAOYSA-N -1 1 370.376 2.933 20 30 FFEDMM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000739015093 602445083 /nfs/dbraw/zinc/44/50/83/602445083.db2.gz JJLDIHKCXSGPOT-HZPDHXFCSA-N -1 1 372.469 2.690 20 30 FFEDMM CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC(NC(=O)[O-])CC1 ZINC000828115697 603835789 /nfs/dbraw/zinc/83/57/89/603835789.db2.gz XPWYRNMVKQAMRK-UHFFFAOYSA-N -1 1 364.833 2.661 20 30 FFEDMM N#CC(C(=O)CC[C@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccc(Cl)cc1 ZINC000833961722 605487585 /nfs/dbraw/zinc/48/75/85/605487585.db2.gz UKUNSCGBDMKRNW-FZMZJTMJSA-N -1 1 363.801 2.767 20 30 FFEDMM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823953707 608093326 /nfs/dbraw/zinc/09/33/26/608093326.db2.gz MOOXPYXGFHAVNJ-UHFFFAOYSA-N -1 1 357.296 2.716 20 30 FFEDMM N#Cc1ccccc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826387337 609279576 /nfs/dbraw/zinc/27/95/76/609279576.db2.gz QDWFJNIIJAWLRO-UHFFFAOYSA-N -1 1 360.356 2.675 20 30 FFEDMM COC[C@@H](C)NN=C(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863105562 730750386 /nfs/dbraw/zinc/75/03/86/730750386.db2.gz UUBAVXZHGCXFSU-CQSZACIVSA-N -1 1 361.467 2.836 20 30 FFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000666201228 732817824 /nfs/dbraw/zinc/81/78/24/732817824.db2.gz RHZRCWFYLIQOLJ-OKILXGFUSA-N -1 1 365.455 2.782 20 30 FFEDMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887772194 733973983 /nfs/dbraw/zinc/97/39/83/733973983.db2.gz FBQXKGHJVRWEGQ-UHFFFAOYSA-N -1 1 355.312 2.889 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(SCC(F)F)cc1 ZINC000741764562 735161282 /nfs/dbraw/zinc/16/12/82/735161282.db2.gz PLQULFLLEFHPDY-UHFFFAOYSA-N -1 1 364.381 2.625 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1c[nH]c2ccc(F)cc12 ZINC000748255012 735630778 /nfs/dbraw/zinc/63/07/78/735630778.db2.gz KFJVVWAJTFLAHJ-UHFFFAOYSA-N -1 1 362.342 2.528 20 30 FFEDMM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)[C@H](O)C(F)(F)F ZINC000908012205 736702546 /nfs/dbraw/zinc/70/25/46/736702546.db2.gz VVHZFHAPPBEWAJ-RYUDHWBXSA-N -1 1 350.287 2.714 20 30 FFEDMM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000908803289 736835063 /nfs/dbraw/zinc/83/50/63/736835063.db2.gz MIEADPCZLMKPTH-INIZCTEOSA-N -1 1 365.861 2.759 20 30 FFEDMM C=C(C)C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124050 736887967 /nfs/dbraw/zinc/88/79/67/736887967.db2.gz KJRWGFPPQWXYMW-GJZGRUSLSA-N -1 1 353.850 2.661 20 30 FFEDMM O=c1nc(NN=C(CC(F)(F)F)c2ccc(Cl)cc2)nc2[nH][n-]cc1-2 ZINC000763364462 736931812 /nfs/dbraw/zinc/93/18/12/736931812.db2.gz XWIJJDWOIZYBCP-UHFFFAOYSA-N -1 1 370.722 2.854 20 30 FFEDMM COc1nccnc1N=NC(C)c1cc(Br)c(F)cc1[O-] ZINC000763422494 736937117 /nfs/dbraw/zinc/93/71/17/736937117.db2.gz UUJDERXIKWOJEF-UHFFFAOYSA-N -1 1 355.167 2.929 20 30 FFEDMM CCc1cccc2c(C=NN=C3[N-]S(=O)(=O)c4ccccc43)c[nH]c21 ZINC000914599484 737585787 /nfs/dbraw/zinc/58/57/87/737585787.db2.gz DTCHFRVFYHEFQW-UHFFFAOYSA-N -1 1 352.419 2.803 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)C(C)C ZINC000915205226 737613883 /nfs/dbraw/zinc/61/38/83/737613883.db2.gz NNJDJQBMSXYSSK-VERVWZFWSA-N -1 1 368.402 2.526 20 30 FFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000770390239 737621667 /nfs/dbraw/zinc/62/16/67/737621667.db2.gz HNWHEFVNUOSWLZ-MRVPVSSYSA-N -1 1 352.200 2.808 20 30 FFEDMM C=CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000785553003 738976349 /nfs/dbraw/zinc/97/63/49/738976349.db2.gz MISNEJPTJMKPJO-UHFFFAOYSA-N -1 1 361.375 2.559 20 30 FFEDMM Cc1cc2c(c(C)c1)NC(=O)C2=NN=c1[n-]nc(-c2ccccn2)s1 ZINC000788031567 739199377 /nfs/dbraw/zinc/19/93/77/739199377.db2.gz FWUBCZGSYKQECQ-UHFFFAOYSA-N -1 1 350.407 2.985 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1CCCO1 ZINC000797832811 740278201 /nfs/dbraw/zinc/27/82/01/740278201.db2.gz NSEORTMEWXNVKH-NWDGAFQWSA-N -1 1 352.214 2.592 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1CCCO1 ZINC000797832813 740278234 /nfs/dbraw/zinc/27/82/34/740278234.db2.gz NSEORTMEWXNVKH-VXGBXAGGSA-N -1 1 352.214 2.592 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(C)(C)C ZINC000805146256 740945897 /nfs/dbraw/zinc/94/58/97/740945897.db2.gz AFNOVCZQTFTZAG-CYBMUJFWSA-N -1 1 361.822 2.592 20 30 FFEDMM CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)cs1 ZINC000806559025 741069103 /nfs/dbraw/zinc/06/91/03/741069103.db2.gz SBAWGPPKPVQGGE-FNORWQNLSA-N -1 1 360.391 2.816 20 30 FFEDMM C#CCn1ccnc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000807958360 741174018 /nfs/dbraw/zinc/17/40/18/741174018.db2.gz VHQBRTPBQMQOLM-UHFFFAOYSA-N -1 1 354.464 2.571 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(Cl)cc(C)c1O ZINC000807962930 741174507 /nfs/dbraw/zinc/17/45/07/741174507.db2.gz RGDYGAJSMRKFAY-UHFFFAOYSA-N -1 1 363.826 2.817 20 30 FFEDMM [O-]c1cc(F)c(Cl)cc1C=NNC(=S)NCCc1ccccn1 ZINC000814828004 741868401 /nfs/dbraw/zinc/86/84/01/741868401.db2.gz JNGLBEPXMXZRIA-UHFFFAOYSA-N -1 1 352.822 2.620 20 30 FFEDMM COC(=O)C1(C#N)CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000824872673 743168871 /nfs/dbraw/zinc/16/88/71/743168871.db2.gz WCIKRIOVSKYQCH-UHFFFAOYSA-N -1 1 367.243 2.742 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCC(OC3CCCC3)CC2)c2ccccc21 ZINC000834938981 745925684 /nfs/dbraw/zinc/92/56/84/745925684.db2.gz UFGLYESEFCTDQC-UHFFFAOYSA-N -1 1 361.467 2.983 20 30 FFEDMM O=C1NC2(CCCCC2)C(=O)N1N=Cc1cccc([O-])c1Br ZINC000841609393 747418913 /nfs/dbraw/zinc/41/89/13/747418913.db2.gz WQIDJZLLXAVQMS-UHFFFAOYSA-N -1 1 366.215 2.743 20 30 FFEDMM C#CC[C@@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000844005790 747948748 /nfs/dbraw/zinc/94/87/48/747948748.db2.gz RHMUJLZWMRISJB-LLVKDONJSA-N -1 1 369.202 2.872 20 30 FFEDMM C[C@H]1CCCC[C@@H]1NC(=S)NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844565376 748052312 /nfs/dbraw/zinc/05/23/12/748052312.db2.gz GBIIJAVGTNLMGF-NHYWBVRUSA-N -1 1 357.483 2.742 20 30 FFEDMM CC(C)n1cc2c(n1)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)CCC2 ZINC000845911230 748350941 /nfs/dbraw/zinc/35/09/41/748350941.db2.gz HTIDWFZUIDVMKR-LBPRGKRZSA-N -1 1 350.469 2.753 20 30 FFEDMM C=C(C)CO[N-]C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000846538822 748499136 /nfs/dbraw/zinc/49/91/36/748499136.db2.gz VHUHDBRAXQQNES-CYBMUJFWSA-N -1 1 356.344 2.678 20 30 FFEDMM C=CCCOCCCCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848341390 748906928 /nfs/dbraw/zinc/90/69/28/748906928.db2.gz UYVFNQFVRMMCRX-ZIAGYGMSSA-N -1 1 364.408 2.807 20 30 FFEDMM N#Cc1ccc(C2([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)CCC2)cc1 ZINC000848501819 748942350 /nfs/dbraw/zinc/94/23/50/748942350.db2.gz HGYKCTMZOKGAKV-UHFFFAOYSA-N -1 1 363.420 2.886 20 30 FFEDMM C=CCCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849426328 749148904 /nfs/dbraw/zinc/14/89/04/749148904.db2.gz UXOIXUDVCRGWIU-UHFFFAOYSA-N -1 1 350.849 2.836 20 30 FFEDMM C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000851211498 749538332 /nfs/dbraw/zinc/53/83/32/749538332.db2.gz IZUPYBVQKRWSMS-LLVKDONJSA-N -1 1 356.444 2.842 20 30 FFEDMM C=CCCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC000852521286 749882958 /nfs/dbraw/zinc/88/29/58/749882958.db2.gz WIFQBQYEWUBJLX-QWHCGFSZSA-N -1 1 364.408 2.806 20 30 FFEDMM C=CCCC(C)(C)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001573327687 947395222 /nfs/dbraw/zinc/39/52/22/947395222.db2.gz JPHHBCRABBWACF-UHFFFAOYSA-N -1 1 369.878 2.791 20 30 FFEDMM C=CCCC(C)(C)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001573327687 947395233 /nfs/dbraw/zinc/39/52/33/947395233.db2.gz JPHHBCRABBWACF-UHFFFAOYSA-N -1 1 369.878 2.791 20 30 FFEDMM N#CCc1ccc(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001594611283 956212525 /nfs/dbraw/zinc/21/25/25/956212525.db2.gz LKWHSFHUMQLQOD-QGZVFWFLSA-N -1 1 353.422 2.936 20 30 FFEDMM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1[nH]c(C)c(C(=O)[O-])c1C ZINC001275902252 1013166609 /nfs/dbraw/zinc/16/66/09/1013166609.db2.gz BHSIYRBIWWZDTJ-FQEVSTJZSA-N -1 1 359.470 2.863 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1[O-] ZINC001175943212 1013585456 /nfs/dbraw/zinc/58/54/56/1013585456.db2.gz DMBWDIOVIOAJLF-GOEBONIOSA-N -1 1 364.323 2.528 20 30 FFEDMM C=CCN1CC[C@@]2(CCN(C(=O)c3cc4ccccc4cc3[O-])C2)C1=O ZINC001270865138 967357528 /nfs/dbraw/zinc/35/75/28/967357528.db2.gz DCEQXDDOCRNZSJ-NRFANRHFSA-N -1 1 350.418 2.796 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1ccc(F)cc1C#N ZINC000728625802 969261540 /nfs/dbraw/zinc/26/15/40/969261540.db2.gz KLLWTBJGVBBNEF-UHFFFAOYSA-N -1 1 368.368 2.739 20 30 FFEDMM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc([O-])cc1Cl ZINC001271914188 979267274 /nfs/dbraw/zinc/26/72/74/979267274.db2.gz AHYWERQWFSMESF-HZPDHXFCSA-N -1 1 361.829 2.555 20 30 FFEDMM N#CCOc1cccc(CC(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000760625941 982090026 /nfs/dbraw/zinc/09/00/26/982090026.db2.gz OPUNIRVLMPHMRU-UHFFFAOYSA-N -1 1 365.341 2.687 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878154052 1014885213 /nfs/dbraw/zinc/88/52/13/1014885213.db2.gz TZLQPEUYWDYROP-MAUKXSAKSA-N -1 1 350.422 2.527 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1C#N ZINC001599974111 986060819 /nfs/dbraw/zinc/06/08/19/986060819.db2.gz LHFAKPAIKYOWPQ-FZNQNYSPSA-N -1 1 372.469 2.825 20 30 FFEDMM COCCOc1cc2c(cc1/C=C1\Oc3cc([O-])ccc3C1=O)OCO2 ZINC000920755869 990915384 /nfs/dbraw/zinc/91/53/84/990915384.db2.gz RXUVRRXIEKZZJF-WSVATBPTSA-N -1 1 356.330 2.762 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809670941 994577178 /nfs/dbraw/zinc/57/71/78/994577178.db2.gz SPAUMJFRKCOEIM-ZDUSSCGKSA-N -1 1 359.426 2.641 20 30 FFEDMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[n-]1 ZINC001133687911 995656803 /nfs/dbraw/zinc/65/68/03/995656803.db2.gz DWVPTFYJNKVKDF-LSDHHAIUSA-N -1 1 351.362 2.618 20 30 FFEDMM C[C@H](Oc1ccc(CN2CCN(c3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC001593614516 995824003 /nfs/dbraw/zinc/82/40/03/995824003.db2.gz BIVFEUSJUVKMAP-INIZCTEOSA-N -1 1 365.433 2.732 20 30 FFEDMM N#Cc1ccc(NC(=O)C[C@H](CC(N)=O)c2ccc(Cl)cc2)c([O-])c1 ZINC001143787513 997668479 /nfs/dbraw/zinc/66/84/79/997668479.db2.gz VQHQJNONLWBMOW-ZDUSSCGKSA-N -1 1 357.797 2.905 20 30 FFEDMM C[C@@H]1CCC[C@@H](NC(=S)NN=C2CCCc3c(C#N)c(=O)[n-]cc32)[C@@H]1C ZINC000844569858 997995956 /nfs/dbraw/zinc/99/59/56/997995956.db2.gz SBHMMROFGWXVCF-XHBSWPGZSA-N -1 1 371.510 2.988 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599476569 998542628 /nfs/dbraw/zinc/54/26/28/998542628.db2.gz FLBPBRCLYAPZBS-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM Cc1ccc(F)c2c1C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N2 ZINC000732709718 998742690 /nfs/dbraw/zinc/74/26/90/998742690.db2.gz HNNFMVMWNLEQHE-UHFFFAOYSA-N -1 1 359.273 2.719 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]c1nc(Cl)nc2ccc(Cl)nc21 ZINC001169964691 1000091135 /nfs/dbraw/zinc/09/11/35/1000091135.db2.gz HHKCRNVNGUMZKG-UHFFFAOYSA-N -1 1 364.152 2.758 20 30 FFEDMM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1cc(F)c([O-])cc1F ZINC001144651412 1000188979 /nfs/dbraw/zinc/18/89/79/1000188979.db2.gz PUWPTKKOFNVNCC-INIZCTEOSA-N -1 1 364.396 2.584 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000769729696 1000577087 /nfs/dbraw/zinc/57/70/87/1000577087.db2.gz ZEVOQDAKFNIQHD-UHFFFAOYSA-N -1 1 373.434 2.633 20 30 FFEDMM Cc1ncc(CO)c(C(=O)N(CCC#N)Cc2ccc(Cl)cc2)c1[O-] ZINC001147838574 1000986877 /nfs/dbraw/zinc/98/68/77/1000986877.db2.gz SYKFSGRHRQVWFP-UHFFFAOYSA-N -1 1 359.813 2.797 20 30 FFEDMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)[C@@H](C)C#N ZINC001148810341 1001216535 /nfs/dbraw/zinc/21/65/35/1001216535.db2.gz CSQGMESPVFLOKQ-AWEZNQCLSA-N -1 1 357.435 2.862 20 30 FFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000785600027 1001457069 /nfs/dbraw/zinc/45/70/69/1001457069.db2.gz XECOIDDAUNDDSV-IUODEOHRSA-N -1 1 359.426 2.639 20 30 FFEDMM Cc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c2ccccn12 ZINC000786553930 1001604951 /nfs/dbraw/zinc/60/49/51/1001604951.db2.gz JLBWLHZVUCIMJO-AWEZNQCLSA-N -1 1 368.343 2.560 20 30 FFEDMM COC(=O)COc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1[N+](=O)[O-] ZINC000788733018 1001861220 /nfs/dbraw/zinc/86/12/20/1001861220.db2.gz SCFJLWZSXASQSD-MLPAPPSSSA-N -1 1 369.329 2.675 20 30 FFEDMM COc1ccc(C2(C(=O)N([O-])C(=N)c3ccccc3N)CC2)c(OC)c1 ZINC001184141373 1002500246 /nfs/dbraw/zinc/50/02/46/1002500246.db2.gz KDRQBXPXTZEWJB-UHFFFAOYSA-N -1 1 355.394 2.561 20 30 FFEDMM O=C(CCC(=O)C1=CC=C[CH]1)Nc1n[nH]c2cncc(Br)c21 ZINC001184240719 1002537279 /nfs/dbraw/zinc/53/72/79/1002537279.db2.gz DYACKDYZLWIGJD-UHFFFAOYSA-N -1 1 360.191 2.709 20 30 FFEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC)n2)cc1 ZINC000791774538 1002797959 /nfs/dbraw/zinc/79/79/59/1002797959.db2.gz XYNLQTFKPXWKLN-WFASDCNBSA-N -1 1 352.394 2.960 20 30 FFEDMM N#Cc1ccc(I)c(C(=O)Nc2ncccc2[O-])c1 ZINC001185781663 1003059181 /nfs/dbraw/zinc/05/91/81/1003059181.db2.gz OQXUMYLJKBNJOF-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C#N)c2)cc1Cl ZINC001186098536 1003184766 /nfs/dbraw/zinc/18/47/66/1003184766.db2.gz ISMMEFLJCCRHJD-UHFFFAOYSA-N -1 1 374.809 2.843 20 30 FFEDMM C[C@@]1(O)CCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C[C@@H]1F ZINC001196308983 1003731205 /nfs/dbraw/zinc/73/12/05/1003731205.db2.gz HMPPCWQYYAORIO-AZUAARDMSA-N -1 1 354.381 2.866 20 30 FFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C#N)cc2Cl)cc1 ZINC001191411132 1003812421 /nfs/dbraw/zinc/81/24/21/1003812421.db2.gz MUHUNYXYTGNHJY-UHFFFAOYSA-N -1 1 365.798 2.584 20 30 FFEDMM CSc1nc(NC(=O)c2cc(-c3cccc(C#N)c3)on2)cc(=O)[n-]1 ZINC001196759786 1003937077 /nfs/dbraw/zinc/93/70/77/1003937077.db2.gz OFDMMRZNKGNMJT-UHFFFAOYSA-N -1 1 353.363 2.683 20 30 FFEDMM Cc1ccc(Oc2ccccc2C(=O)N([O-])C(=N)c2nonc2N)cc1 ZINC001193066017 1004359765 /nfs/dbraw/zinc/35/97/65/1004359765.db2.gz DHHLBWLLEVVXGO-UHFFFAOYSA-N -1 1 353.338 2.609 20 30 FFEDMM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)cc2c1OCCO2 ZINC000806561618 1004362931 /nfs/dbraw/zinc/36/29/31/1004362931.db2.gz WVVNGFQKRIITQV-DJWKRKHSSA-N -1 1 356.330 2.766 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(cnn2Cc2cccc(F)c2)c1 ZINC001193150440 1004391450 /nfs/dbraw/zinc/39/14/50/1004391450.db2.gz XZONIWRJEZSSPE-LBPRGKRZSA-N -1 1 358.398 2.877 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(Br)c1Br ZINC001193158371 1004393365 /nfs/dbraw/zinc/39/33/65/1004393365.db2.gz PAJLHJOWGJAFGW-LURJTMIESA-N -1 1 368.050 2.865 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CCN2C(=O)OC(C)(C)C ZINC001193160245 1004394065 /nfs/dbraw/zinc/39/40/65/1004394065.db2.gz ALRAOWHPCAKVHX-NSHDSACASA-N -1 1 351.428 2.638 20 30 FFEDMM CC(C)(C)C#CC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001198558611 1004659016 /nfs/dbraw/zinc/65/90/16/1004659016.db2.gz SSNZPLITEQZQPR-UHFFFAOYSA-N -1 1 365.680 2.825 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cn(Cc2ccccc2F)cn1 ZINC001194628062 1004774572 /nfs/dbraw/zinc/77/45/72/1004774572.db2.gz AVSWKSCFCYIOEA-UHFFFAOYSA-N -1 1 353.357 2.510 20 30 FFEDMM N#Cc1cc2cccnc2nc1[N-]C(=O)c1ncc(Br)s1 ZINC001195053948 1004879246 /nfs/dbraw/zinc/87/92/46/1004879246.db2.gz ADKGDTXAICZFLK-UHFFFAOYSA-N -1 1 360.196 2.973 20 30 FFEDMM N#CCCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195444209 1004960780 /nfs/dbraw/zinc/96/07/80/1004960780.db2.gz UCHSNASQGLFCLS-UHFFFAOYSA-N -1 1 355.616 2.824 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2c(F)cccc2Br)CCCC1 ZINC001201011815 1005160562 /nfs/dbraw/zinc/16/05/62/1005160562.db2.gz HIMHROJIJYMZQM-UHFFFAOYSA-N -1 1 361.236 2.950 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1C#N ZINC001201315561 1005198703 /nfs/dbraw/zinc/19/87/03/1005198703.db2.gz FCFAKHIAIITGPB-UHFFFAOYSA-N -1 1 352.318 2.989 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CCC3)cc1C#N ZINC001201320447 1005199158 /nfs/dbraw/zinc/19/91/58/1005199158.db2.gz ZOJPHVBPIHIHDD-UHFFFAOYSA-N -1 1 355.419 2.942 20 30 FFEDMM C#Cc1cccc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000776466122 1005790391 /nfs/dbraw/zinc/79/03/91/1005790391.db2.gz SAJVIHHBLVYZCZ-UHFFFAOYSA-N -1 1 362.307 2.761 20 30 FFEDMM Cc1noc([N-]C(=O)c2cc(C(F)(F)F)ccc2S(C)(=O)=O)c1C#N ZINC001187226823 1005965629 /nfs/dbraw/zinc/96/56/29/1005965629.db2.gz POECKJHXZLFYLR-UHFFFAOYSA-N -1 1 373.312 2.529 20 30 FFEDMM CCOC(=O)c1nc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[n-]c1Cl ZINC001133881933 1006013517 /nfs/dbraw/zinc/01/35/17/1006013517.db2.gz PCOPCVGXZLNFSW-SECBINFHSA-N -1 1 362.773 2.517 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cn1 ZINC001187434761 1006102897 /nfs/dbraw/zinc/10/28/97/1006102897.db2.gz DYSYKEGYTZVGDQ-UHFFFAOYSA-N -1 1 358.419 2.815 20 30 FFEDMM CC(C)n1ccnc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000853272484 1006355750 /nfs/dbraw/zinc/35/57/50/1006355750.db2.gz WRLOZGAIFIOCCT-CQSZACIVSA-N -1 1 370.438 2.739 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC[C@@H]2CNc3cccc1c32 ZINC000814865002 1006454546 /nfs/dbraw/zinc/45/45/46/1006454546.db2.gz MXTXGKVSTLDVJH-LLVKDONJSA-N -1 1 372.406 2.580 20 30 FFEDMM C=C(CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000854063099 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CC(C)c1ncc(S(=O)(=O)Oc2cc(Br)ccc2C#N)[n-]1 ZINC001309564299 1043437228 /nfs/dbraw/zinc/43/72/28/1043437228.db2.gz MITQCFXJBQPCGH-UHFFFAOYSA-N -1 1 370.228 2.935 20 30 FFEDMM CC(C)c1nc(S(=O)(=O)Oc2cc(Br)ccc2C#N)c[n-]1 ZINC001309564299 1043437234 /nfs/dbraw/zinc/43/72/34/1043437234.db2.gz MITQCFXJBQPCGH-UHFFFAOYSA-N -1 1 370.228 2.935 20 30 FFEDMM COC(=O)C1(C#N)CCN(Cc2c(Br)ccc([O-])c2F)CC1 ZINC001238308100 1043645069 /nfs/dbraw/zinc/64/50/69/1043645069.db2.gz CESYLLMGZNKJPV-UHFFFAOYSA-N -1 1 371.206 2.573 20 30 FFEDMM CC[C@H](C)Oc1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001319021901 1044986873 /nfs/dbraw/zinc/98/68/73/1044986873.db2.gz DTQDWKZVLBHXSE-LBPRGKRZSA-N -1 1 358.419 2.743 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1 ZINC001319037862 1044996788 /nfs/dbraw/zinc/99/67/88/1044996788.db2.gz LHQAXLHXOJFJNJ-UHFFFAOYSA-N -1 1 355.419 2.902 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC001317731180 1045127500 /nfs/dbraw/zinc/12/75/00/1045127500.db2.gz KHPWWQFOIXUTQS-UHFFFAOYSA-N -1 1 354.353 2.987 20 30 FFEDMM C[C@@H](CCc1cccc(F)c1)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001323309935 1045541053 /nfs/dbraw/zinc/54/10/53/1045541053.db2.gz QTFPHRPNZMOEOM-LBPRGKRZSA-N -1 1 360.410 2.660 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nnc(-c3ccc(C#N)cc3)o2)o1 ZINC001322256253 1046016947 /nfs/dbraw/zinc/01/69/47/1046016947.db2.gz HUTJGFMMMGTQMT-UHFFFAOYSA-N -1 1 372.406 2.945 20 30 FFEDMM Cn1c(C=NNc2ccccc2[N+](=O)[O-])c(Br)cc1C(=O)[O-] ZINC001323085912 1046339940 /nfs/dbraw/zinc/33/99/40/1046339940.db2.gz QMSOPJGQDULATB-UHFFFAOYSA-N -1 1 367.159 2.840 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001327443970 1047896649 /nfs/dbraw/zinc/89/66/49/1047896649.db2.gz CXYVBRZECSSFGM-HOTGVXAUSA-N -1 1 368.458 2.911 20 30 FFEDMM C=CCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC001297985236 1050346142 /nfs/dbraw/zinc/34/61/42/1050346142.db2.gz NUMNDIKFKOILJM-UHFFFAOYSA-N -1 1 360.435 2.952 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001342186544 1050777473 /nfs/dbraw/zinc/77/74/73/1050777473.db2.gz VRDADOLJEATXFV-LSDHHAIUSA-N -1 1 372.473 2.593 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001342294943 1050887999 /nfs/dbraw/zinc/88/79/99/1050887999.db2.gz YSTUTMZATZSVHR-OCCSQVGLSA-N -1 1 363.849 2.889 20 30 FFEDMM N#C[C@@H]1CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC001303429542 1051352610 /nfs/dbraw/zinc/35/26/10/1051352610.db2.gz YLJQRPJJJLNVIS-JTQLQIEISA-N -1 1 371.315 2.879 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)c1ccc(C#N)c([O-])c1 ZINC001304680661 1051668763 /nfs/dbraw/zinc/66/87/63/1051668763.db2.gz QTUROGSCHUIYPU-FOIQADDNSA-N -1 1 371.437 2.783 20 30 FFEDMM N#CC(=C([O-])c1ccc(OCC(F)F)nc1)c1nc(N)c2ccccc2n1 ZINC001343353529 1052180046 /nfs/dbraw/zinc/18/00/46/1052180046.db2.gz AAJRKIJDMVOHSZ-LBPRGKRZSA-N -1 1 369.331 2.741 20 30 FFEDMM C=C(C)Cn1c([C@H](C)O)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001343554715 1052302265 /nfs/dbraw/zinc/30/22/65/1052302265.db2.gz IYRNYUHQGSUUFO-AWEZNQCLSA-N -1 1 370.453 2.712 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001309307502 1052596263 /nfs/dbraw/zinc/59/62/63/1052596263.db2.gz OSBSLJDUVPHNAK-UHFFFAOYSA-N -1 1 352.200 2.809 20 30 FFEDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)ccc2[nH]1 ZINC001337309253 1054641353 /nfs/dbraw/zinc/64/13/53/1054641353.db2.gz HDGLFTFTDDGQOK-UHFFFAOYSA-N -1 1 367.430 2.957 20 30 FFEDMM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnncc1[O-] ZINC001337318071 1054647925 /nfs/dbraw/zinc/64/79/25/1054647925.db2.gz BGVHRFOYGIZOHX-JTQLQIEISA-N -1 1 350.300 2.755 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001351563389 1054903059 /nfs/dbraw/zinc/90/30/59/1054903059.db2.gz YBFYDSOGBIUVQB-AVGNSLFASA-N -1 1 354.458 2.985 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CCCCOC ZINC001351918956 1055065096 /nfs/dbraw/zinc/06/50/96/1055065096.db2.gz FYQKNCNFPLABBE-UHFFFAOYSA-N -1 1 351.838 2.748 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](OC)CC[C@H]1C ZINC001338708365 1055749633 /nfs/dbraw/zinc/74/96/33/1055749633.db2.gz IAKLRZOCHZPLJV-TZMCWYRMSA-N -1 1 370.457 2.508 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@H](COCC)C1 ZINC001338982648 1055986864 /nfs/dbraw/zinc/98/68/64/1055986864.db2.gz VCLCOOJEWFRTOK-LBPRGKRZSA-N -1 1 363.849 2.748 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](C(C)C)C1 ZINC001339499888 1056517964 /nfs/dbraw/zinc/51/79/64/1056517964.db2.gz YQURAKPFJLVPPQ-CQSZACIVSA-N -1 1 354.458 2.986 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 ZINC001339691024 1056712844 /nfs/dbraw/zinc/71/28/44/1056712844.db2.gz WGSQKTHVYKDVLH-MRXNPFEDSA-N -1 1 366.425 2.910 20 30 FFEDMM C=CCN(c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CC1CC1)C1CC1 ZINC001518260865 1058320565 /nfs/dbraw/zinc/32/05/65/1058320565.db2.gz XVLYGEYNGNHCJY-UHFFFAOYSA-N -1 1 352.442 2.883 20 30 FFEDMM C=CCCCN(CC)c1nnc(-c2nc(Cl)n[n-]2)n1C[C@H]1CCOC1 ZINC001519771234 1059050173 /nfs/dbraw/zinc/05/01/73/1059050173.db2.gz DTBOGCHSALOEQW-GFCCVEGCSA-N -1 1 365.869 2.546 20 30 FFEDMM C=C1CN(C(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2[O-])C1 ZINC001453265481 1059350323 /nfs/dbraw/zinc/35/03/23/1059350323.db2.gz ZZBPDOFHZBMGAH-UHFFFAOYSA-N -1 1 368.389 2.674 20 30 FFEDMM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)OCC ZINC001475629310 1061173604 /nfs/dbraw/zinc/17/36/04/1061173604.db2.gz OSJRKUJVHLLSDC-AWEZNQCLSA-N -1 1 363.838 2.796 20 30 FFEDMM N#Cc1sc2ccccc2c1S(=O)(=O)[N-]Cc1cncc(C#N)c1 ZINC001475704925 1061221601 /nfs/dbraw/zinc/22/16/01/1061221601.db2.gz KFQYERVHFSYHBU-UHFFFAOYSA-N -1 1 354.416 2.518 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001524182628 1062746638 /nfs/dbraw/zinc/74/66/38/1062746638.db2.gz OKZUTEAHXCMVAY-UHFFFAOYSA-N -1 1 360.462 2.734 20 30 FFEDMM COc1ccc(CNC(=O)c2c([O-])cnc3c(F)cccc32)cc1C#N ZINC001471544887 1064711077 /nfs/dbraw/zinc/71/10/77/1064711077.db2.gz ZWSTXFWDKMYFPY-UHFFFAOYSA-N -1 1 351.337 2.890 20 30 FFEDMM O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N([O-])Cc1ccccc1Cl ZINC001472619082 1065113091 /nfs/dbraw/zinc/11/30/91/1065113091.db2.gz VRTPUVSVANTMGD-UHFFFAOYSA-N -1 1 373.756 2.861 20 30 FFEDMM N#Cc1nc(NCCCCc2ccc(Cl)s2)cnc1-c1nnn[n-]1 ZINC001581880750 1079012175 /nfs/dbraw/zinc/01/21/75/1079012175.db2.gz UMWYFVKDQLLTAI-UHFFFAOYSA-N -1 1 360.834 2.678 20 30 FFEDMM N#Cc1nc(NCCCCc2ccc(Cl)s2)cnc1-c1nn[n-]n1 ZINC001581880750 1079012185 /nfs/dbraw/zinc/01/21/85/1079012185.db2.gz UMWYFVKDQLLTAI-UHFFFAOYSA-N -1 1 360.834 2.678 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)sn1 ZINC001561334430 1076363973 /nfs/dbraw/zinc/36/39/73/1076363973.db2.gz NDSLKGCOXBTNJX-UHFFFAOYSA-N -1 1 360.382 2.800 20 30 FFEDMM C=CCSCC[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001561458149 1076379197 /nfs/dbraw/zinc/37/91/97/1076379197.db2.gz FEDWUZBLMBZOEV-UHFFFAOYSA-N -1 1 372.256 2.925 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)(C)C ZINC001561617802 1076399013 /nfs/dbraw/zinc/39/90/13/1076399013.db2.gz XZYBDZPGUCJIPR-CYBMUJFWSA-N -1 1 373.247 2.786 20 30 FFEDMM COc1ccccc1C1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC001561681387 1076406270 /nfs/dbraw/zinc/40/62/70/1076406270.db2.gz NFXWTAJQAOSVKW-UHFFFAOYSA-N -1 1 364.373 2.813 20 30 FFEDMM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC001561925427 1076446928 /nfs/dbraw/zinc/44/69/28/1076446928.db2.gz FQFKYGMVHHCMGM-KRWDZBQOSA-N -1 1 360.410 2.942 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c(F)c1 ZINC001567372580 1077021823 /nfs/dbraw/zinc/02/18/23/1077021823.db2.gz RDDBSROOFPGEBH-CQSZACIVSA-N -1 1 374.738 2.522 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1C ZINC001574369360 1077970345 /nfs/dbraw/zinc/97/03/45/1077970345.db2.gz WWUYAWCCGBDSDX-DLBZAZTESA-N -1 1 357.454 2.735 20 30 FFEDMM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccc(Cl)cc1 ZINC001588329673 1079985581 /nfs/dbraw/zinc/98/55/81/1079985581.db2.gz LFLHUYZBTJHZJI-GFCCVEGCSA-N -1 1 373.203 2.673 20 30 FFEDMM C=C(C)CCC(=O)N[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588415738 1080019205 /nfs/dbraw/zinc/01/92/05/1080019205.db2.gz PPEPYCNIQAEMRD-BDAKNGLRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=C(C)CCC(=O)N[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588415738 1080019215 /nfs/dbraw/zinc/01/92/15/1080019215.db2.gz PPEPYCNIQAEMRD-BDAKNGLRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CC(C)(C)CC(=O)NC[C@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588483483 1080046378 /nfs/dbraw/zinc/04/63/78/1080046378.db2.gz LSBPNOKDBNWBQC-NSHDSACASA-N -1 1 363.491 2.541 20 30 FFEDMM C=CC(C)(C)CC(=O)N[C@@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001588484756 1080048738 /nfs/dbraw/zinc/04/87/38/1080048738.db2.gz MAUHEZPAWFNYPU-JTQLQIEISA-N -1 1 363.491 2.541 20 30 FFEDMM C=CC(C)(C)CC(=O)N[C@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001588484757 1080049119 /nfs/dbraw/zinc/04/91/19/1080049119.db2.gz MAUHEZPAWFNYPU-SNVBAGLBSA-N -1 1 363.491 2.541 20 30 FFEDMM C=CC(C)(C)CCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588486877 1080050136 /nfs/dbraw/zinc/05/01/36/1080050136.db2.gz LNFARSKFEKZTBF-UHFFFAOYSA-N -1 1 372.473 2.625 20 30 FFEDMM C=CCCC(=O)N[C@H](C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588571261 1080102752 /nfs/dbraw/zinc/10/27/52/1080102752.db2.gz IITYZVVFQYXXEH-BDAKNGLRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCCC(=O)N[C@@H](C)C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588571999 1080104241 /nfs/dbraw/zinc/10/42/41/1080104241.db2.gz VPSHDCLWRZCPTK-DTWKUNHWSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCCC(=O)N[C@@H](C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588571999 1080104244 /nfs/dbraw/zinc/10/42/44/1080104244.db2.gz VPSHDCLWRZCPTK-DTWKUNHWSA-N -1 1 369.882 2.638 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001588622714 1080125397 /nfs/dbraw/zinc/12/53/97/1080125397.db2.gz CYMSOBFJDNEQQR-OAHLLOKOSA-N -1 1 366.845 2.547 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001588622714 1080125401 /nfs/dbraw/zinc/12/54/01/1080125401.db2.gz CYMSOBFJDNEQQR-OAHLLOKOSA-N -1 1 366.845 2.547 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001588622714 1080125404 /nfs/dbraw/zinc/12/54/04/1080125404.db2.gz CYMSOBFJDNEQQR-OAHLLOKOSA-N -1 1 366.845 2.547 20 30 FFEDMM C=CC[S@](=O)(=NC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1 ZINC001588688788 1080154383 /nfs/dbraw/zinc/15/43/83/1080154383.db2.gz QPAYZULRZLJYQV-XMMPIXPASA-N -1 1 359.436 2.782 20 30 FFEDMM C=CC[S@](=O)(=NC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1 ZINC001588688788 1080154387 /nfs/dbraw/zinc/15/43/87/1080154387.db2.gz QPAYZULRZLJYQV-XMMPIXPASA-N -1 1 359.436 2.782 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001588703944 1080162349 /nfs/dbraw/zinc/16/23/49/1080162349.db2.gz HDDWCBQGRSCBNK-AAEUAGOBSA-N -1 1 354.418 2.529 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001588703944 1080162352 /nfs/dbraw/zinc/16/23/52/1080162352.db2.gz HDDWCBQGRSCBNK-AAEUAGOBSA-N -1 1 354.418 2.529 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccnn2CC2CCC2)o1 ZINC001588781195 1080193760 /nfs/dbraw/zinc/19/37/60/1080193760.db2.gz KVDSKEDOHOQORB-UHFFFAOYSA-N -1 1 369.433 2.811 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589341587 1080489714 /nfs/dbraw/zinc/48/97/14/1080489714.db2.gz HVZFLUNQWPWWSN-IAGOWNOFSA-N -1 1 357.454 2.899 20 30 FFEDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)ccc21 ZINC000007323498 506552870 /nfs/dbraw/zinc/55/28/70/506552870.db2.gz KSIBZUHSHQHDQU-UHFFFAOYSA-N -1 1 355.419 2.658 20 30 FFEDMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055567885 506780421 /nfs/dbraw/zinc/78/04/21/506780421.db2.gz ABQAKHMPRQMGEO-UHFFFAOYSA-N -1 1 363.826 2.762 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)OCCCO3)n1 ZINC000067896550 507045302 /nfs/dbraw/zinc/04/53/02/507045302.db2.gz VGIZCJBGXMVDDY-GFCCVEGCSA-N -1 1 372.402 2.971 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCC=C)c2)c1 ZINC000057124053 507177803 /nfs/dbraw/zinc/17/78/03/507177803.db2.gz JDMWNPLHSKZPNZ-UHFFFAOYSA-N -1 1 372.446 2.968 20 30 FFEDMM C=CCN(Cc1ccccc1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000024499823 507417443 /nfs/dbraw/zinc/41/74/43/507417443.db2.gz ZTIXIFCWCVXCTO-UHFFFAOYSA-N -1 1 357.479 2.948 20 30 FFEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000076936311 508263661 /nfs/dbraw/zinc/26/36/61/508263661.db2.gz URSADVHJPHVJON-UHFFFAOYSA-N -1 1 357.435 2.726 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1 ZINC000076935711 508263966 /nfs/dbraw/zinc/26/39/66/508263966.db2.gz WMNVBIYWZWTZEM-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc21 ZINC000114673253 508335436 /nfs/dbraw/zinc/33/54/36/508335436.db2.gz YDJAMRSOPZYZHE-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CC(=O)NC(C)C)cc1 ZINC000114673416 508335796 /nfs/dbraw/zinc/33/57/96/508335796.db2.gz TUBAGQSMQIQJKU-UHFFFAOYSA-N -1 1 371.462 2.735 20 30 FFEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000116801552 508563849 /nfs/dbraw/zinc/56/38/49/508563849.db2.gz MDJBQPHPKNWOAP-PXAZEXFGSA-N -1 1 367.471 2.559 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)CC)c2)c1 ZINC000135387970 508597619 /nfs/dbraw/zinc/59/76/19/508597619.db2.gz YRZPCATVJYEGJO-UHFFFAOYSA-N -1 1 372.446 2.996 20 30 FFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000157765077 508609305 /nfs/dbraw/zinc/60/93/05/508609305.db2.gz OIZMJIAENILNQC-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3c(F)cc(F)cc3F)n2)cc1 ZINC000150689527 508877830 /nfs/dbraw/zinc/87/78/30/508877830.db2.gz AXFGIIAXCJTFSO-UHFFFAOYSA-N -1 1 357.295 2.868 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cccc1C(=O)N1CCCC1 ZINC000125600514 509005210 /nfs/dbraw/zinc/00/52/10/509005210.db2.gz KLIZOWBNKGCOTN-UHFFFAOYSA-N -1 1 369.446 2.904 20 30 FFEDMM Cc1ccc(C(=O)N(C)CC#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000151538327 509039148 /nfs/dbraw/zinc/03/91/48/509039148.db2.gz GLMLHOBBVLUCLC-UHFFFAOYSA-N -1 1 361.398 2.531 20 30 FFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2(C#N)CC2)cc1 ZINC000160872931 509042382 /nfs/dbraw/zinc/04/23/82/509042382.db2.gz ZUNQAFVYWGZPDZ-UHFFFAOYSA-N -1 1 373.409 2.721 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127011541 509158647 /nfs/dbraw/zinc/15/86/47/509158647.db2.gz QKPPTZBVJVKDIZ-ISVAXAHUSA-N -1 1 362.377 2.736 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000185701807 509314215 /nfs/dbraw/zinc/31/42/15/509314215.db2.gz NESKCHMCUHJMMY-CQSZACIVSA-N -1 1 362.373 2.966 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1[O-] ZINC000189071209 509397473 /nfs/dbraw/zinc/39/74/73/509397473.db2.gz JIDKNEIXFSJHFT-OAHLLOKOSA-N -1 1 373.771 2.592 20 30 FFEDMM CC1(C#N)CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000227516326 509410168 /nfs/dbraw/zinc/41/01/68/509410168.db2.gz ZQTLTOVTIBESII-UHFFFAOYSA-N -1 1 370.190 2.763 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000192704451 509604780 /nfs/dbraw/zinc/60/47/80/509604780.db2.gz TVIOQTHFHOHCKR-UHFFFAOYSA-N -1 1 350.783 2.784 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C)C(=O)N2 ZINC000187062837 510033565 /nfs/dbraw/zinc/03/35/65/510033565.db2.gz FMLPUOZNNIBNGM-UHFFFAOYSA-N -1 1 356.407 2.645 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)cc1[O-] ZINC000190848749 510371393 /nfs/dbraw/zinc/37/13/93/510371393.db2.gz HXZHBHMVXVWQBS-UHFFFAOYSA-N -1 1 364.405 2.822 20 30 FFEDMM N#Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1[O-] ZINC000190985046 510450387 /nfs/dbraw/zinc/45/03/87/510450387.db2.gz KJUMERRESWNPEP-UHFFFAOYSA-N -1 1 354.381 2.881 20 30 FFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000194655436 510468589 /nfs/dbraw/zinc/46/85/89/510468589.db2.gz FVXPJXSJLOLMFK-NSHDSACASA-N -1 1 355.360 2.656 20 30 FFEDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000195073543 510660526 /nfs/dbraw/zinc/66/05/26/510660526.db2.gz FCYMMBSBNLFZSI-SECBINFHSA-N -1 1 374.491 2.873 20 30 FFEDMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188322447 510709077 /nfs/dbraw/zinc/70/90/77/510709077.db2.gz QKBKEAHVKRFVQP-QGZVFWFLSA-N -1 1 352.390 2.510 20 30 FFEDMM COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)n2)c1 ZINC000188597264 510838347 /nfs/dbraw/zinc/83/83/47/510838347.db2.gz QBORGOALNASQOM-LLVKDONJSA-N -1 1 364.361 2.813 20 30 FFEDMM C#CCO[N-]C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000291219474 511162557 /nfs/dbraw/zinc/16/25/57/511162557.db2.gz JIQLGMGMHUALAG-FPOVZHCZSA-N -1 1 362.429 2.848 20 30 FFEDMM CCN1c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2CCC1=O ZINC000280025777 511308833 /nfs/dbraw/zinc/30/88/33/511308833.db2.gz VKTYZOJDTHWWIH-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N(CCC#N)Cc2ccco2)c(=O)[n-]1 ZINC000299514083 511661053 /nfs/dbraw/zinc/66/10/53/511661053.db2.gz JORDWFRNQLZECG-UHFFFAOYSA-N -1 1 360.439 2.681 20 30 FFEDMM N#CCCCOc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000324616236 511838065 /nfs/dbraw/zinc/83/80/65/511838065.db2.gz YTMGBMNZAWTQJO-UHFFFAOYSA-N -1 1 366.420 2.930 20 30 FFEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1CO ZINC000326116883 511854633 /nfs/dbraw/zinc/85/46/33/511854633.db2.gz DBQRITSOZYLRSS-UHFFFAOYSA-N -1 1 366.826 2.903 20 30 FFEDMM COc1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1C(=O)[O-] ZINC000326892122 511864779 /nfs/dbraw/zinc/86/47/79/511864779.db2.gz GKVSOGKGTWFLOU-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM CC[C@H](CC#N)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000372040269 512690294 /nfs/dbraw/zinc/69/02/94/512690294.db2.gz AGEADZFKJVXVFG-CRAIPNDOSA-N -1 1 365.433 2.958 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000380522285 512873125 /nfs/dbraw/zinc/87/31/25/512873125.db2.gz IUQCFOLSZRHVML-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccc(C)o1 ZINC000451272056 513642624 /nfs/dbraw/zinc/64/26/24/513642624.db2.gz VZRLPFXSWOAXQF-CQSZACIVSA-N -1 1 368.842 2.974 20 30 FFEDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)s1 ZINC000451301919 513663858 /nfs/dbraw/zinc/66/38/58/513663858.db2.gz YJBLNPYXQNFBKR-UHFFFAOYSA-N -1 1 370.887 2.859 20 30 FFEDMM CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442867273 513798583 /nfs/dbraw/zinc/79/85/83/513798583.db2.gz YFNAYTDLOMSONW-UHFFFAOYSA-N -1 1 355.419 2.696 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1[O-] ZINC000443122616 513878822 /nfs/dbraw/zinc/87/88/22/513878822.db2.gz ZYVGZBIKWAAFGH-UHFFFAOYSA-N -1 1 362.364 2.787 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3nc[nH]c3cc2F)n1 ZINC000436698579 513948171 /nfs/dbraw/zinc/94/81/71/513948171.db2.gz QFDKYXFOLRYBPE-VIFPVBQESA-N -1 1 358.354 2.825 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(=O)OCC ZINC000451986578 514112076 /nfs/dbraw/zinc/11/20/76/514112076.db2.gz FMQRQURSSYERJL-AWEZNQCLSA-N -1 1 363.838 2.796 20 30 FFEDMM Cc1cc2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc2n(C)c1=O ZINC000427298065 514174462 /nfs/dbraw/zinc/17/44/62/514174462.db2.gz ZDMJVIBNGTWYIF-UHFFFAOYSA-N -1 1 367.430 2.714 20 30 FFEDMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2CCC1=O ZINC000427294882 514175707 /nfs/dbraw/zinc/17/57/07/514175707.db2.gz KVEUWRWNBBACMX-UHFFFAOYSA-N -1 1 373.409 2.797 20 30 FFEDMM C=CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000452779688 514492724 /nfs/dbraw/zinc/49/27/24/514492724.db2.gz VDZKEMJLLCIOQI-UHFFFAOYSA-N -1 1 365.282 2.600 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC#N)cc2)cc1[N+](=O)[O-] ZINC000475319492 514619220 /nfs/dbraw/zinc/61/92/20/514619220.db2.gz SQFRLSHIZZKWOI-UHFFFAOYSA-N -1 1 374.378 2.556 20 30 FFEDMM COc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)ccc1[N-]S(C)(=O)=O ZINC000461902819 514776342 /nfs/dbraw/zinc/77/63/42/514776342.db2.gz SESDRJFCGHJCMR-LBPRGKRZSA-N -1 1 373.434 2.681 20 30 FFEDMM CCC(C)(C)N(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000471169962 514781343 /nfs/dbraw/zinc/78/13/43/514781343.db2.gz OZKNAPUIIMTJTH-UHFFFAOYSA-N -1 1 369.487 2.901 20 30 FFEDMM CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000508747179 514880675 /nfs/dbraw/zinc/88/06/75/514880675.db2.gz KISFQUOQBHGLAJ-UHFFFAOYSA-N -1 1 354.801 2.870 20 30 FFEDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000476310566 514993811 /nfs/dbraw/zinc/99/38/11/514993811.db2.gz ODICMCABELJVNU-UHFFFAOYSA-N -1 1 356.860 2.665 20 30 FFEDMM C[C@@H]1CCCN1S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000471964519 515070712 /nfs/dbraw/zinc/07/07/12/515070712.db2.gz OINSJEOEDFJQDW-LLVKDONJSA-N -1 1 365.846 2.538 20 30 FFEDMM C=CC(C)(C)CNC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000458984346 515247850 /nfs/dbraw/zinc/24/78/50/515247850.db2.gz FYXJTCSXXUUGNY-UHFFFAOYSA-N -1 1 371.441 2.660 20 30 FFEDMM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(C#N)c1 ZINC000505127526 515452862 /nfs/dbraw/zinc/45/28/62/515452862.db2.gz CUJZSTZCJCRYSM-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM N#Cc1ccnc(C(=O)N=c2nc(-c3cc(Cl)ccc3Cl)[nH][n-]2)c1 ZINC000505288062 515496167 /nfs/dbraw/zinc/49/61/67/515496167.db2.gz RXSBALTYPPSZPL-UHFFFAOYSA-N -1 1 359.176 2.719 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(C#N)C3)c2)c1 ZINC000482642262 515749731 /nfs/dbraw/zinc/74/97/31/515749731.db2.gz ASDQOOFXLWPZAW-UHFFFAOYSA-N -1 1 369.446 2.782 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1[O-] ZINC000506099043 515779747 /nfs/dbraw/zinc/77/97/47/515779747.db2.gz YIHDHLACXNUXLX-GOSISDBHSA-N -1 1 359.385 2.597 20 30 FFEDMM C=CCc1cc(CNC(=O)c2csc(=NC3CC3)[n-]2)cc(OC)c1OC ZINC000494356834 515819160 /nfs/dbraw/zinc/81/91/60/515819160.db2.gz MRKBRVTUARBTSR-UHFFFAOYSA-N -1 1 373.478 2.815 20 30 FFEDMM Cn1c2cc(-c3cccc(C([O-])=C(C#N)c4ccncn4)c3)cnc2[nH]c1=O ZINC000487454855 515867119 /nfs/dbraw/zinc/86/71/19/515867119.db2.gz MEYKHDDQYMNTGU-OAHLLOKOSA-N -1 1 370.372 2.621 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000478788385 515964826 /nfs/dbraw/zinc/96/48/26/515964826.db2.gz SKYUXDZDVAETKT-AWEZNQCLSA-N -1 1 373.434 2.528 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000478816603 515973167 /nfs/dbraw/zinc/97/31/67/515973167.db2.gz TXKQPXYUTFTNDN-HNNXBMFYSA-N -1 1 357.435 2.828 20 30 FFEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000511905036 516073811 /nfs/dbraw/zinc/07/38/11/516073811.db2.gz HUEXIBSOEQSRNS-UHFFFAOYSA-N -1 1 363.421 2.844 20 30 FFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000513529799 516660946 /nfs/dbraw/zinc/66/09/46/516660946.db2.gz BCVGNQQNLINMFU-UHFFFAOYSA-N -1 1 365.437 2.919 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CC(=O)NC(C)C)cc1 ZINC000525367840 517017741 /nfs/dbraw/zinc/01/77/41/517017741.db2.gz BYOXSZSNEZCVAE-UHFFFAOYSA-N -1 1 371.462 2.735 20 30 FFEDMM C=CCn1c(Sc2nc3c(cnn3C)c(=O)[n-]2)nnc1-c1cccs1 ZINC000537833661 517367235 /nfs/dbraw/zinc/36/72/35/517367235.db2.gz MJMNDGGSVXXYHM-UHFFFAOYSA-N -1 1 371.451 2.726 20 30 FFEDMM N#Cc1ccc(OC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c(F)c1 ZINC000553540724 517770469 /nfs/dbraw/zinc/77/04/69/517770469.db2.gz SZJNDPTXHMJEJB-UHFFFAOYSA-N -1 1 365.364 2.958 20 30 FFEDMM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553861772 517938809 /nfs/dbraw/zinc/93/88/09/517938809.db2.gz UTCIWVIMXVKJLX-ZUZCIYMTSA-N -1 1 354.815 2.859 20 30 FFEDMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000588852590 518849103 /nfs/dbraw/zinc/84/91/03/518849103.db2.gz KAQALAVKLUAXPQ-UHFFFAOYSA-N -1 1 357.435 2.759 20 30 FFEDMM Cc1ccccc1-c1cc(NC(=O)c2cc([O-])cc(C#N)c2)n(CCO)n1 ZINC000589174966 518940556 /nfs/dbraw/zinc/94/05/56/518940556.db2.gz HIPOIPMYEFPHFQ-UHFFFAOYSA-N -1 1 362.389 2.680 20 30 FFEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2cccnc2)no1 ZINC000589175799 518940651 /nfs/dbraw/zinc/94/06/51/518940651.db2.gz YLJHILHKCNZEDN-INIZCTEOSA-N -1 1 363.377 2.836 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000589187736 518943742 /nfs/dbraw/zinc/94/37/42/518943742.db2.gz PGRVRJLIXXEZHJ-UHFFFAOYSA-N -1 1 367.361 2.856 20 30 FFEDMM COC(=O)C(C)(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589189694 518945526 /nfs/dbraw/zinc/94/55/26/518945526.db2.gz GOXBZTMVPSVGSI-KRWDZBQOSA-N -1 1 352.390 2.934 20 30 FFEDMM N#CCCCCCC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000589846439 519092517 /nfs/dbraw/zinc/09/25/17/519092517.db2.gz TYZZCSBNELJOTJ-AWEZNQCLSA-N -1 1 350.785 2.672 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)c(C)cc2c1 ZINC000590597700 519281522 /nfs/dbraw/zinc/28/15/22/519281522.db2.gz RQYBKIRHHQRDES-UHFFFAOYSA-N -1 1 353.403 2.817 20 30 FFEDMM CCc1nc(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)[n-]c(=O)c1C ZINC000569591832 519623250 /nfs/dbraw/zinc/62/32/50/519623250.db2.gz OZBWHKBQNNHYDR-HNNXBMFYSA-N -1 1 354.435 2.822 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c1 ZINC000598501081 520658764 /nfs/dbraw/zinc/65/87/64/520658764.db2.gz COXHLMQRABMEEF-RTBURBONSA-N -1 1 363.417 2.735 20 30 FFEDMM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000610573122 520745002 /nfs/dbraw/zinc/74/50/02/520745002.db2.gz DWRMMRUZCAAYIM-QGZVFWFLSA-N -1 1 357.360 2.693 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 ZINC000614373819 520929691 /nfs/dbraw/zinc/92/96/91/520929691.db2.gz BHDOFXRPGPNLIA-MRXNPFEDSA-N -1 1 373.771 2.592 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000614370140 520930142 /nfs/dbraw/zinc/93/01/42/520930142.db2.gz MZUOATZBOQJHIO-INIZCTEOSA-N -1 1 369.808 2.843 20 30 FFEDMM CN(C(=O)c1cc(I)ccc1[O-])[C@@H]1CCC[C@@H]1C#N ZINC000601809396 520962887 /nfs/dbraw/zinc/96/28/87/520962887.db2.gz FMDWPKOLQAVLPP-BXKDBHETSA-N -1 1 370.190 2.761 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)CCCC1 ZINC000599345709 521165225 /nfs/dbraw/zinc/16/52/25/521165225.db2.gz AKGRXWQJAUPQAT-UHFFFAOYSA-N -1 1 359.394 2.919 20 30 FFEDMM C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)n1 ZINC000593828097 521234876 /nfs/dbraw/zinc/23/48/76/521234876.db2.gz JVMIHISUTPMZPD-LRDDRELGSA-N -1 1 366.421 2.865 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c1 ZINC000619461737 521579930 /nfs/dbraw/zinc/57/99/30/521579930.db2.gz YZAINRUFCPVPGQ-UHFFFAOYSA-N -1 1 352.419 2.798 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c1 ZINC000619461953 521581085 /nfs/dbraw/zinc/58/10/85/521581085.db2.gz JAFWERJNGVJSCK-UHFFFAOYSA-N -1 1 356.382 2.878 20 30 FFEDMM CN1Cc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc2NC1=O ZINC000619463891 521582973 /nfs/dbraw/zinc/58/29/73/521582973.db2.gz SUDQVLWCPYFHKV-UHFFFAOYSA-N -1 1 356.407 2.531 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N(CCc2ccccn2)Cc2ccncc2)c1 ZINC000619561785 521768809 /nfs/dbraw/zinc/76/88/09/521768809.db2.gz NFHFJYOUFSWFTF-UHFFFAOYSA-N -1 1 358.401 2.939 20 30 FFEDMM Cc1nc(C)c(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)s1 ZINC000735457903 598363016 /nfs/dbraw/zinc/36/30/16/598363016.db2.gz GLORYBMOVAFJCN-UHFFFAOYSA-N -1 1 360.447 2.963 20 30 FFEDMM FC(F)(F)COc1ccc(NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822718932 599340201 /nfs/dbraw/zinc/34/02/01/599340201.db2.gz VRJWEVZFUXBAEQ-UHFFFAOYSA-N -1 1 352.276 2.847 20 30 FFEDMM FC(F)(F)COc1ccc(NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822718932 599340202 /nfs/dbraw/zinc/34/02/02/599340202.db2.gz VRJWEVZFUXBAEQ-UHFFFAOYSA-N -1 1 352.276 2.847 20 30 FFEDMM CC[C@H](C#N)Oc1cc(CNc2cccc(-c3nnn[n-]3)n2)ccc1OC ZINC000736309479 599437952 /nfs/dbraw/zinc/43/79/52/599437952.db2.gz OWKOACNBDCMZBZ-CYBMUJFWSA-N -1 1 365.397 2.563 20 30 FFEDMM CC[C@H](C#N)Oc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccc1OC ZINC000736309479 599437955 /nfs/dbraw/zinc/43/79/55/599437955.db2.gz OWKOACNBDCMZBZ-CYBMUJFWSA-N -1 1 365.397 2.563 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736199673 600292227 /nfs/dbraw/zinc/29/22/27/600292227.db2.gz LEHRSFMASHIENW-PBHICJAKSA-N -1 1 373.428 2.648 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736200000 600300970 /nfs/dbraw/zinc/30/09/70/600300970.db2.gz LZOZWIAQIWXFQL-DOTOQJQBSA-N -1 1 355.438 2.508 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000738608231 600306372 /nfs/dbraw/zinc/30/63/72/600306372.db2.gz HMASNTBDQKNQGS-FUHWJXTLSA-N -1 1 369.465 2.817 20 30 FFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000833073529 601316599 /nfs/dbraw/zinc/31/65/99/601316599.db2.gz DJWHDJWGFJUHKS-HXUWFJFHSA-N -1 1 369.465 2.799 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC000832849683 601949741 /nfs/dbraw/zinc/94/97/41/601949741.db2.gz PFWDAJMFDXCNKT-HXUWFJFHSA-N -1 1 372.469 2.827 20 30 FFEDMM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1ccc(C#N)cc1Cl ZINC000831946674 604634055 /nfs/dbraw/zinc/63/40/55/604634055.db2.gz XBOVSLMBFQFAAX-UHFFFAOYSA-N -1 1 372.811 2.781 20 30 FFEDMM CC(=NNc1ccccc1C(=O)[O-])c1cccc(N2CCCS2(=O)=O)c1 ZINC000741164032 605099674 /nfs/dbraw/zinc/09/96/74/605099674.db2.gz UVIDRMZETJDOQE-UHFFFAOYSA-N -1 1 373.434 2.761 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)c(C)c2)o1 ZINC000822424710 606037237 /nfs/dbraw/zinc/03/72/37/606037237.db2.gz ZXHRHNTYXUBLNZ-UHFFFAOYSA-N -1 1 362.191 2.680 20 30 FFEDMM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819709882 606178208 /nfs/dbraw/zinc/17/82/08/606178208.db2.gz SMMURLWXLBPHNY-LLVKDONJSA-N -1 1 354.391 2.858 20 30 FFEDMM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819709882 606178209 /nfs/dbraw/zinc/17/82/09/606178209.db2.gz SMMURLWXLBPHNY-LLVKDONJSA-N -1 1 354.391 2.858 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822801448 606445239 /nfs/dbraw/zinc/44/52/39/606445239.db2.gz JNBZEXLNWNWHAZ-KGLIPLIRSA-N -1 1 364.434 2.840 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822801448 606445240 /nfs/dbraw/zinc/44/52/40/606445240.db2.gz JNBZEXLNWNWHAZ-KGLIPLIRSA-N -1 1 364.434 2.840 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2nc3ccc(Cl)cc3n2C)o1 ZINC000819783501 607146410 /nfs/dbraw/zinc/14/64/10/607146410.db2.gz YIOADJRMGHIQJM-UHFFFAOYSA-N -1 1 371.792 2.539 20 30 FFEDMM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821719403 607151019 /nfs/dbraw/zinc/15/10/19/607151019.db2.gz DJIMALOKWBVDLR-HYXAFXHYSA-N -1 1 360.370 2.981 20 30 FFEDMM COc1cccc(CC(N=Nc2oc(C)nc2-c2nn[n-]n2)C2CC2)c1 ZINC000826215762 607783299 /nfs/dbraw/zinc/78/32/99/607783299.db2.gz YKIXLKCWHZAYCD-UHFFFAOYSA-N -1 1 353.386 2.592 20 30 FFEDMM N#Cc1ccc(-c2nnc(COc3cccc(F)c3-c3nnn[n-]3)o2)cc1 ZINC000826384208 607866441 /nfs/dbraw/zinc/86/64/41/607866441.db2.gz LPJZEEBFZUECEC-UHFFFAOYSA-N -1 1 363.312 2.506 20 30 FFEDMM N#Cc1ccc(-c2nnc(COc3cccc(F)c3-c3nn[n-]n3)o2)cc1 ZINC000826384208 607866442 /nfs/dbraw/zinc/86/64/42/607866442.db2.gz LPJZEEBFZUECEC-UHFFFAOYSA-N -1 1 363.312 2.506 20 30 FFEDMM COc1cccc(OC)c1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000826217192 607887617 /nfs/dbraw/zinc/88/76/17/607887617.db2.gz BIUYYRMYUWPCQI-UHFFFAOYSA-N -1 1 371.401 2.615 20 30 FFEDMM CC(=NNC(=S)N[C@H]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823954059 608092190 /nfs/dbraw/zinc/09/21/90/608092190.db2.gz XEVLRLUZFLLOKD-KOLCDFICSA-N -1 1 363.516 2.695 20 30 FFEDMM CC(=NNc1ccc(Br)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958341 608094710 /nfs/dbraw/zinc/09/47/10/608094710.db2.gz KDQNHLQTBNXNGG-UHFFFAOYSA-N -1 1 364.232 2.922 20 30 FFEDMM C=CCC(CC=C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823888541 609286297 /nfs/dbraw/zinc/28/62/97/609286297.db2.gz PRHHGDRHPAWPON-UHFFFAOYSA-N -1 1 367.388 2.898 20 30 FFEDMM C=C(C)CN(C)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)CC(=C)C)c1 ZINC000823877755 609318091 /nfs/dbraw/zinc/31/80/91/609318091.db2.gz FHNGVFALROUPDN-UHFFFAOYSA-N -1 1 357.418 2.800 20 30 FFEDMM C=C(C)CN(C)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)CC(=C)C)c1 ZINC000823877755 609318093 /nfs/dbraw/zinc/31/80/93/609318093.db2.gz FHNGVFALROUPDN-UHFFFAOYSA-N -1 1 357.418 2.800 20 30 FFEDMM N#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000746352445 735478531 /nfs/dbraw/zinc/47/85/31/735478531.db2.gz JIGOOYOCPCEXDZ-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)ccc1Cl ZINC000130494437 728718601 /nfs/dbraw/zinc/71/86/01/728718601.db2.gz MTTMTZFTHCCFKK-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM C#CCOc1ccccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000187083721 729372417 /nfs/dbraw/zinc/37/24/17/729372417.db2.gz QINLFEBWRCWULK-UHFFFAOYSA-N -1 1 360.391 2.591 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(F)cc2Br)c(=O)o1 ZINC000255155311 729633435 /nfs/dbraw/zinc/63/34/35/729633435.db2.gz VAFIGWXGEDTNHJ-PKXJPQMGSA-N -1 1 353.143 2.816 20 30 FFEDMM COc1cc(C(=O)/C=C\c2ccc([O-])c(F)c2)ccc1S(C)(=O)=O ZINC000255232220 729635010 /nfs/dbraw/zinc/63/50/10/729635010.db2.gz QXSOXCWXZYSUSO-UTCJRWHESA-N -1 1 350.367 2.840 20 30 FFEDMM N#CCCN(CC1CC1)C(=O)c1ccc(I)cc1[O-] ZINC000865164713 730920099 /nfs/dbraw/zinc/92/00/99/730920099.db2.gz NNAFBHPABRNOPP-UHFFFAOYSA-N -1 1 370.190 2.763 20 30 FFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=Nn2c(=S)[nH][nH]c2=S)cs1 ZINC000872338403 731752610 /nfs/dbraw/zinc/75/26/10/731752610.db2.gz HKFDIZWSIDPPMW-UHFFFAOYSA-N -1 1 358.474 2.541 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)c1 ZINC000659939972 732023703 /nfs/dbraw/zinc/02/37/03/732023703.db2.gz VEULRXMMPURMMR-QGZVFWFLSA-N -1 1 355.456 2.577 20 30 FFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000882685986 733271361 /nfs/dbraw/zinc/27/13/61/733271361.db2.gz KUIFLKVUWLLTFL-JOCHJYFZSA-N -1 1 355.485 2.954 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ncc(Br)cn3)CCC2)c1 ZINC000886840947 733848963 /nfs/dbraw/zinc/84/89/63/733848963.db2.gz WXUWYJDFZWAXDQ-UHFFFAOYSA-N -1 1 373.210 2.626 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)c2)[n-]c1=O ZINC000889789251 734224061 /nfs/dbraw/zinc/22/40/61/734224061.db2.gz BJJQKJZUZISZSO-CYBMUJFWSA-N -1 1 358.785 2.693 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000728430325 734527553 /nfs/dbraw/zinc/52/75/53/734527553.db2.gz QXTLHBYEJBWTMB-UHFFFAOYSA-N -1 1 355.379 2.789 20 30 FFEDMM C[C@@H]1CO[C@@H](C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000892424548 734557909 /nfs/dbraw/zinc/55/79/09/734557909.db2.gz PZTAVPZPJRRZBG-ZMLRMANQSA-N -1 1 357.435 2.877 20 30 FFEDMM C#CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000733288516 734804346 /nfs/dbraw/zinc/80/43/46/734804346.db2.gz OUUZUMWBGGFUNQ-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C(C)C)N2CCCCC2)n1 ZINC000741012384 735108083 /nfs/dbraw/zinc/10/80/83/735108083.db2.gz MTJFWQSYRCNRSC-HOCLYGCPSA-N -1 1 363.483 2.682 20 30 FFEDMM O=C(NO)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000742823599 735257570 /nfs/dbraw/zinc/25/75/70/735257570.db2.gz CAAVOVNOLHYEBV-UHFFFAOYSA-N -1 1 360.313 2.625 20 30 FFEDMM COc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000748248151 735630139 /nfs/dbraw/zinc/63/01/39/735630139.db2.gz 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FFEDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201323710 1005199799 /nfs/dbraw/zinc/19/97/99/1005199799.db2.gz MNVJKKRJHBSEOI-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000108250101 1005628604 /nfs/dbraw/zinc/62/86/04/1005628604.db2.gz IDWQBKVUKXGPHI-UHFFFAOYSA-N -1 1 370.430 2.626 20 30 FFEDMM CCCCCCCCS(=O)(=O)[N-]c1cc(N2CCOCC2)nc(C)n1 ZINC001187994919 1006357427 /nfs/dbraw/zinc/35/74/27/1006357427.db2.gz UUJPUVDAULOKBQ-UHFFFAOYSA-N -1 1 370.519 2.724 20 30 FFEDMM Cc1cc(=O)[n-]c(N=NC2CCN(C(=O)OCc3ccccc3)CC2)n1 ZINC000814681167 1006396155 /nfs/dbraw/zinc/39/61/55/1006396155.db2.gz AFHINEVKUJHZOE-UHFFFAOYSA-N -1 1 355.398 2.691 20 30 FFEDMM O=C1Nc2c(cccc2C(F)(F)F)C1=NN=c1[n-]c(-c2cccnc2)no1 ZINC000814948553 1006475441 /nfs/dbraw/zinc/47/54/41/1006475441.db2.gz TTZGINZHSJYRKP-UHFFFAOYSA-N -1 1 374.282 2.919 20 30 FFEDMM O=C1Nc2c(cccc2C(F)(F)F)C1=NN=c1nc(-c2cccnc2)[n-]o1 ZINC000814948553 1006475443 /nfs/dbraw/zinc/47/54/43/1006475443.db2.gz TTZGINZHSJYRKP-UHFFFAOYSA-N -1 1 374.282 2.919 20 30 FFEDMM CC(C)CN1c2ccccc2C(=NN=c2[n-]c(-c3cccnc3)no2)C1=O ZINC000814949606 1006477629 /nfs/dbraw/zinc/47/76/29/1006477629.db2.gz FGPVZKMPBKTROB-UHFFFAOYSA-N -1 1 362.393 2.950 20 30 FFEDMM CC(C)CN1c2ccccc2C(=NN=c2nc(-c3cccnc3)[n-]o2)C1=O ZINC000814949606 1006477633 /nfs/dbraw/zinc/47/76/33/1006477633.db2.gz FGPVZKMPBKTROB-UHFFFAOYSA-N -1 1 362.393 2.950 20 30 FFEDMM Cn1nncc1N=NCc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000814979221 1006484261 /nfs/dbraw/zinc/48/42/61/1006484261.db2.gz DDOWPSWZBOKIPP-UHFFFAOYSA-N -1 1 351.366 2.538 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC)c(CNC(=O)CC)c2)c1 ZINC000131788106 1006785715 /nfs/dbraw/zinc/78/57/15/1006785715.db2.gz QAGVKGNNQVUHDE-UHFFFAOYSA-N -1 1 372.446 2.504 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)CCC1 ZINC001189047878 1006870624 /nfs/dbraw/zinc/87/06/24/1006870624.db2.gz XCNQIKROTYWSLT-UHFFFAOYSA-N -1 1 365.199 2.699 20 30 FFEDMM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1csc(C#N)c1 ZINC001189212368 1006979964 /nfs/dbraw/zinc/97/99/64/1006979964.db2.gz XNCBFCPKZWDJDB-OAHLLOKOSA-N -1 1 370.496 2.551 20 30 FFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1 ZINC001189697224 1007230555 /nfs/dbraw/zinc/23/05/55/1007230555.db2.gz OQHFUQASDNFORS-UHFFFAOYSA-N -1 1 366.345 2.565 20 30 FFEDMM N#Cc1ccccc1CSCCNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001135828148 1007447119 /nfs/dbraw/zinc/44/71/19/1007447119.db2.gz VOFSRZHFXAQLKP-UHFFFAOYSA-N -1 1 369.475 2.553 20 30 FFEDMM COc1ccc(N2CC[C@@H](CNC(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000819589498 1008185723 /nfs/dbraw/zinc/18/57/23/1008185723.db2.gz RTYWGOHXFNTMSD-AWEZNQCLSA-N -1 1 351.406 2.529 20 30 FFEDMM C#CCCOC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000859229117 1008490464 /nfs/dbraw/zinc/49/04/64/1008490464.db2.gz XFCMIPDTCVCENL-HUUCEWRRSA-N -1 1 368.355 2.683 20 30 FFEDMM N#CCCCN1CC[C@]2(CCCN2C(=O)c2c([O-])cccc2Cl)C1=O ZINC001274008918 1009244798 /nfs/dbraw/zinc/24/47/98/1009244798.db2.gz WCOUSVDZBUJWJN-GOSISDBHSA-N -1 1 361.829 2.556 20 30 FFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000887731097 1009542751 /nfs/dbraw/zinc/54/27/51/1009542751.db2.gz JDZMPSPWVAOJLD-INIZCTEOSA-N -1 1 366.421 2.699 20 30 FFEDMM CSc1nc(NC(=O)C2CCN(c3ccccc3C#N)CC2)cc(=O)[n-]1 ZINC001180504512 1009727502 /nfs/dbraw/zinc/72/75/02/1009727502.db2.gz NLDVRGWEFZZTDO-UHFFFAOYSA-N -1 1 369.450 2.631 20 30 FFEDMM COc1ccc2[nH]c(C)c(CC(=O)N([O-])C(=N)c3ccccc3N)c2c1 ZINC001181198534 1010013398 /nfs/dbraw/zinc/01/33/98/1010013398.db2.gz JPKRSGNVRNMGPG-UHFFFAOYSA-N -1 1 352.394 2.853 20 30 FFEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccc(F)cc3)n2)c1 ZINC000121687445 1011074268 /nfs/dbraw/zinc/07/42/68/1011074268.db2.gz QEYGVUVHEOCICI-MRXNPFEDSA-N -1 1 363.352 2.676 20 30 FFEDMM C#CC[C@@H](NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000868444745 1011304821 /nfs/dbraw/zinc/30/48/21/1011304821.db2.gz FDTBKMVWWFLXPH-PBHICJAKSA-N -1 1 367.371 2.604 20 30 FFEDMM COC(=O)c1ccc(C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000796365474 1012383657 /nfs/dbraw/zinc/38/36/57/1012383657.db2.gz JPKFCVZNVLBSIE-UHFFFAOYSA-N -1 1 367.279 2.908 20 30 FFEDMM COc1cc2c(cc1OC)C(=NN=c1[n-]c(-c3ccccc3)no1)C(=O)N2 ZINC000726738335 1020513844 /nfs/dbraw/zinc/51/38/44/1020513844.db2.gz PMUYHKCXOSCKRQ-UHFFFAOYSA-N -1 1 365.349 2.522 20 30 FFEDMM COc1cc2c(cc1OC)C(=NN=c1nc(-c3ccccc3)[n-]o1)C(=O)N2 ZINC000726738335 1020513848 /nfs/dbraw/zinc/51/38/48/1020513848.db2.gz PMUYHKCXOSCKRQ-UHFFFAOYSA-N -1 1 365.349 2.522 20 30 FFEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(N)=O)cc2)cc1 ZINC001118294875 1022165640 /nfs/dbraw/zinc/16/56/40/1022165640.db2.gz ZBSGUKJXAGIFIT-UHFFFAOYSA-N -1 1 371.462 2.706 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)cc1 ZINC000752476729 1023148896 /nfs/dbraw/zinc/14/88/96/1023148896.db2.gz BQDUOWFXSKAUSO-CQSZACIVSA-N -1 1 371.418 2.898 20 30 FFEDMM C[C@H]1CC(=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)CN1C1CC1 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1035866211 /nfs/dbraw/zinc/86/62/11/1035866211.db2.gz PQMHUYMEARKTSD-UHFFFAOYSA-N -1 1 361.394 2.695 20 30 FFEDMM O=C1C=C[C@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(O)cc2O)O3)C1 ZINC001234754657 1037168663 /nfs/dbraw/zinc/16/86/63/1037168663.db2.gz RAYZMYCDMDLZQE-GUYCJALGSA-N -1 1 368.341 2.786 20 30 FFEDMM COc1ncc(-c2ncc3ccccc3c2C#N)cc1[N-]S(C)(=O)=O ZINC001244790574 1038776814 /nfs/dbraw/zinc/77/68/14/1038776814.db2.gz NSILONGOOQLHOM-UHFFFAOYSA-N -1 1 354.391 2.549 20 30 FFEDMM COC(=O)[C@@H]1CCc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC001258136063 1039214036 /nfs/dbraw/zinc/21/40/36/1039214036.db2.gz LKNIEEUJHIABPW-QGZVFWFLSA-N -1 1 356.403 2.562 20 30 FFEDMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccccc3C#N)cccc21 ZINC001258282878 1039295620 /nfs/dbraw/zinc/29/56/20/1039295620.db2.gz DIBKNPKJFBAVQO-INIZCTEOSA-N -1 1 357.435 2.744 20 30 FFEDMM CN(C)S(=O)(=O)c1ccc([O-])c(Nc2cc(Cl)cc(C#N)c2)c1 ZINC001210539647 1039602365 /nfs/dbraw/zinc/60/23/65/1039602365.db2.gz HODVSZSPBNIGSV-UHFFFAOYSA-N -1 1 351.815 2.911 20 30 FFEDMM CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1[N-]S(N)(=O)=O ZINC001260075404 1040391829 /nfs/dbraw/zinc/39/18/29/1040391829.db2.gz DBFSGUHEKYNMJG-UHFFFAOYSA-N -1 1 369.450 2.945 20 30 FFEDMM C=CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260207583 1040462561 /nfs/dbraw/zinc/46/25/61/1040462561.db2.gz XSSGBZSIYNQBTD-JTQLQIEISA-N -1 1 350.818 2.547 20 30 FFEDMM C=CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1=O ZINC001260473733 1040616150 /nfs/dbraw/zinc/61/61/50/1040616150.db2.gz IVDHFCUXDZVGLS-MRVPVSSYSA-N -1 1 369.295 2.510 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCOCC1 ZINC001260559991 1040653018 /nfs/dbraw/zinc/65/30/18/1040653018.db2.gz DYMNWIQDFVWVPJ-UHFFFAOYSA-N -1 1 369.657 2.998 20 30 FFEDMM C=C(C)C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OCC1)C(=O)OCC ZINC001213545980 1040664333 /nfs/dbraw/zinc/66/43/33/1040664333.db2.gz BRIOZRPHISYQJZ-INIZCTEOSA-N -1 1 365.451 2.627 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001262990752 1042015178 /nfs/dbraw/zinc/01/51/78/1042015178.db2.gz NCPUUKOYFHEZNY-NSHDSACASA-N -1 1 371.832 2.690 20 30 FFEDMM C#C[C@@H]1CCCCN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CC1CC1 ZINC001263672799 1042428993 /nfs/dbraw/zinc/42/89/93/1042428993.db2.gz AJROHMLXEVRENJ-OAHLLOKOSA-N -1 1 364.453 2.720 20 30 FFEDMM CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001242179129 1044701352 /nfs/dbraw/zinc/70/13/52/1044701352.db2.gz AAFRUZLWNNEHLE-UHFFFAOYSA-N -1 1 373.438 2.680 20 30 FFEDMM CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001242179129 1044701363 /nfs/dbraw/zinc/70/13/63/1044701363.db2.gz AAFRUZLWNNEHLE-UHFFFAOYSA-N -1 1 373.438 2.680 20 30 FFEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2O)nnc1-c1ccncc1 ZINC001317692841 1045120573 /nfs/dbraw/zinc/12/05/73/1045120573.db2.gz GDZVTNJIMFGDPB-UHFFFAOYSA-N -1 1 368.418 2.912 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(-c2ccco2)s1 ZINC001319401796 1045138095 /nfs/dbraw/zinc/13/80/95/1045138095.db2.gz VEJBUGRAWMEVSM-UHFFFAOYSA-N -1 1 358.400 2.887 20 30 FFEDMM C=CCOc1cc(OC)ccc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001321207704 1045587271 /nfs/dbraw/zinc/58/72/71/1045587271.db2.gz METZOYKEPAUKOD-UHFFFAOYSA-N -1 1 358.346 2.711 20 30 FFEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001324028312 1045831388 /nfs/dbraw/zinc/83/13/88/1045831388.db2.gz XWOMJUDQLMYGOU-UHFFFAOYSA-N -1 1 355.346 2.553 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001327443969 1047896778 /nfs/dbraw/zinc/89/67/78/1047896778.db2.gz CXYVBRZECSSFGM-CVEARBPZSA-N -1 1 368.458 2.911 20 30 FFEDMM C=CC[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)C(=O)[O-] ZINC001333315508 1048830113 /nfs/dbraw/zinc/83/01/13/1048830113.db2.gz GWVNEYGAEMCHCA-HZPDHXFCSA-N -1 1 365.861 2.805 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001341854982 1050466923 /nfs/dbraw/zinc/46/69/23/1050466923.db2.gz WGGMZYWZCACIJB-DZGCQCFKSA-N -1 1 350.430 2.622 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001341854982 1050466926 /nfs/dbraw/zinc/46/69/26/1050466926.db2.gz WGGMZYWZCACIJB-DZGCQCFKSA-N -1 1 350.430 2.622 20 30 FFEDMM CC(C)(C)OC(=O)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC001299814447 1050612845 /nfs/dbraw/zinc/61/28/45/1050612845.db2.gz VFDIHKBZOVTODJ-UHFFFAOYSA-N -1 1 352.394 2.907 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001340733786 1051092454 /nfs/dbraw/zinc/09/24/54/1051092454.db2.gz TVDVQERZOYOKJA-OAHLLOKOSA-N -1 1 365.894 2.626 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H](CO)c2cccc(C(F)(F)F)c2)cc1[O-] ZINC001302463479 1051120286 /nfs/dbraw/zinc/12/02/86/1051120286.db2.gz DGKJYDJGQXWFOG-AWEZNQCLSA-N -1 1 350.296 2.746 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCCO[C@@H](C)C1 ZINC001342950492 1051564677 /nfs/dbraw/zinc/56/46/77/1051564677.db2.gz IJBKCWGGQDESSW-ZDUSSCGKSA-N -1 1 370.457 2.509 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)O[C@H](C)CC#Cc2cccnc2)c1 ZINC001345044105 1052218587 /nfs/dbraw/zinc/21/85/87/1052218587.db2.gz APPHAZOLRCPCJK-BZQUYTCOSA-N -1 1 357.431 2.571 20 30 FFEDMM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001542815523 1071310115 /nfs/dbraw/zinc/31/01/15/1071310115.db2.gz PCGGBFMKGONFKT-UHFFFAOYSA-N -1 1 352.390 2.674 20 30 FFEDMM C=C(C)Cn1c(-c2ccc(Cl)cc2[O-])nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001346248052 1052803064 /nfs/dbraw/zinc/80/30/64/1052803064.db2.gz LIRUAKLRDFYMTR-BETUJISGSA-N -1 1 360.845 2.963 20 30 FFEDMM C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001347955410 1054499465 /nfs/dbraw/zinc/49/94/65/1054499465.db2.gz QYODXBMOUFIADO-XOBRGWDASA-N -1 1 357.454 2.500 20 30 FFEDMM C=C1CCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC2CC2)CC1 ZINC001348109545 1054659028 /nfs/dbraw/zinc/65/90/28/1054659028.db2.gz QDGTYTZQMAJHGE-UHFFFAOYSA-N -1 1 352.442 2.885 20 30 FFEDMM N#CCOc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC001337350909 1054679502 /nfs/dbraw/zinc/67/95/02/1054679502.db2.gz KMAZCOQEWBJREQ-UHFFFAOYSA-N -1 1 372.233 2.769 20 30 FFEDMM CC(C)c1cccc(O[C@H](C)C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC001337587158 1054869428 /nfs/dbraw/zinc/86/94/28/1054869428.db2.gz AIYBYVCZGPBAOV-CYBMUJFWSA-N -1 1 372.446 2.843 20 30 FFEDMM Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847157632 1055150943 /nfs/dbraw/zinc/15/09/43/1055150943.db2.gz CTUOEVQJBQCUCS-BXUZGUMPSA-N -1 1 368.359 2.930 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001339003972 1056006253 /nfs/dbraw/zinc/00/62/53/1056006253.db2.gz OGBGEBGCDZHHEO-LLVKDONJSA-N -1 1 372.379 2.832 20 30 FFEDMM C[C@@H](CC#N)N(C)c1nnc(-c2nc(Cl)n[n-]2)n1CCc1ccccc1 ZINC001357969007 1056083358 /nfs/dbraw/zinc/08/33/58/1056083358.db2.gz CLOVDUKTZYDICV-LBPRGKRZSA-N -1 1 370.848 2.698 20 30 FFEDMM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@](F)(C#N)C1 ZINC001351453020 1056268975 /nfs/dbraw/zinc/26/89/75/1056268975.db2.gz PRCACWUCMIMSHF-QGZVFWFLSA-N -1 1 370.413 2.888 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(CC)C[C@H]1CCCO1 ZINC001339497830 1056515683 /nfs/dbraw/zinc/51/56/83/1056515683.db2.gz MUMXEZCBBXWJRZ-CQSZACIVSA-N -1 1 370.457 2.509 20 30 FFEDMM C=C1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001300667423 1059243208 /nfs/dbraw/zinc/24/32/08/1059243208.db2.gz ZMRVGDQPDNYGQO-UHFFFAOYSA-N -1 1 364.373 2.778 20 30 FFEDMM C#CC[C@@H](CC)c1nnc(N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)n1CC ZINC001520687434 1059963694 /nfs/dbraw/zinc/96/36/94/1059963694.db2.gz RNIVAAKYLBBKGR-KGLIPLIRSA-N -1 1 370.457 2.661 20 30 FFEDMM C=CCCn1cc(COC(=O)c2nn(-c3ccccc3CC)cc2[O-])nn1 ZINC000848755538 1060609932 /nfs/dbraw/zinc/60/99/32/1060609932.db2.gz UGLFZRSCPVWWRT-UHFFFAOYSA-N -1 1 367.409 2.665 20 30 FFEDMM C=C[C@H](CC)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC001546106633 1060713783 /nfs/dbraw/zinc/71/37/83/1060713783.db2.gz FOYOJDZZWXUADO-CYBMUJFWSA-N -1 1 354.472 2.964 20 30 FFEDMM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1Cl)c1ccccc1F ZINC001475456200 1061098539 /nfs/dbraw/zinc/09/85/39/1061098539.db2.gz BGOVXWFYDVAPSI-HWPZZCPQSA-N -1 1 368.817 2.751 20 30 FFEDMM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC001460812194 1061113139 /nfs/dbraw/zinc/11/31/39/1061113139.db2.gz CGWGAHKCRZKQLS-KRWDZBQOSA-N -1 1 363.421 2.540 20 30 FFEDMM COc1c([O-])c(CN2CCO[C@H](c3ccc(C#N)cc3)C2)ccc1[N+](=O)[O-] ZINC001462627816 1061698413 /nfs/dbraw/zinc/69/84/13/1061698413.db2.gz LWKFMIWLAZMDRA-KRWDZBQOSA-N -1 1 369.377 2.754 20 30 FFEDMM C=CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2[O-])C3)CCCC1 ZINC001522257495 1061820184 /nfs/dbraw/zinc/82/01/84/1061820184.db2.gz FLACCVIGMZEHAG-OAGGEKHMSA-N -1 1 369.465 2.785 20 30 FFEDMM CCOC(=O)c1sc([N-]C(=O)c2nccnc2SC)c(C#N)c1C ZINC001522996297 1062353421 /nfs/dbraw/zinc/35/34/21/1062353421.db2.gz FGJXORAICIBXTK-UHFFFAOYSA-N -1 1 362.436 2.869 20 30 FFEDMM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1F ZINC001464008961 1062378929 /nfs/dbraw/zinc/37/89/29/1062378929.db2.gz PHCVKFAGIJTKRS-HWPZZCPQSA-N -1 1 368.817 2.751 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCc2ccc(O)cc2C1 ZINC001523811730 1062629394 /nfs/dbraw/zinc/62/93/94/1062629394.db2.gz HFBRCJQVHSMZAN-UHFFFAOYSA-N -1 1 371.832 2.561 20 30 FFEDMM Cn1nc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)cc1C1CC1 ZINC001464641971 1062735227 /nfs/dbraw/zinc/73/52/27/1062735227.db2.gz RONJFUMZZIQAHF-UHFFFAOYSA-N -1 1 372.475 2.862 20 30 FFEDMM COc1ccc(C#N)cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001442491074 1063539373 /nfs/dbraw/zinc/53/93/73/1063539373.db2.gz PFCRJIBUEBTNNE-UHFFFAOYSA-N -1 1 355.300 2.939 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccco2)cc1Br ZINC001474783890 1065605624 /nfs/dbraw/zinc/60/56/24/1065605624.db2.gz CMSZEYNHTNXWOK-UHFFFAOYSA-N -1 1 373.203 2.574 20 30 FFEDMM N#Cc1cc(C(=O)Nc2ccc(Oc3ccnc(-c4nnn[n-]4)c3)cc2)co1 ZINC001581864946 1079008199 /nfs/dbraw/zinc/00/81/99/1079008199.db2.gz WVKDTCQNKJTNFE-UHFFFAOYSA-N -1 1 373.332 2.771 20 30 FFEDMM N#Cc1cc(C(=O)Nc2ccc(Oc3ccnc(-c4nn[n-]n4)c3)cc2)co1 ZINC001581864946 1079008206 /nfs/dbraw/zinc/00/82/06/1079008206.db2.gz WVKDTCQNKJTNFE-UHFFFAOYSA-N -1 1 373.332 2.771 20 30 FFEDMM N#C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC001581857190 1079008907 /nfs/dbraw/zinc/00/89/07/1079008907.db2.gz SFPYMNPJFIZCIS-SNVBAGLBSA-N -1 1 363.164 2.761 20 30 FFEDMM N#C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC001581857190 1079008915 /nfs/dbraw/zinc/00/89/15/1079008915.db2.gz SFPYMNPJFIZCIS-SNVBAGLBSA-N -1 1 363.164 2.761 20 30 FFEDMM N#Cc1ccc(F)c(C(=O)[N-]N2Cc3ccc(Br)cc3C2=O)c1 ZINC001584920705 1079404871 /nfs/dbraw/zinc/40/48/71/1079404871.db2.gz YMRPLKSUCLDCMS-UHFFFAOYSA-N -1 1 374.169 2.761 20 30 FFEDMM C=CCOc1ccc(CC(=O)Nc2nc(C(=O)OCC)c(Cl)[n-]2)cc1 ZINC001584880327 1079400126 /nfs/dbraw/zinc/40/01/26/1079400126.db2.gz YTZMWMCWZAACLK-UHFFFAOYSA-N -1 1 363.801 2.986 20 30 FFEDMM C=CC[C@H]1N(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCCC1(C)C ZINC001588564917 1080100033 /nfs/dbraw/zinc/10/00/33/1080100033.db2.gz URBOIYWXULSVNL-GFCCVEGCSA-N -1 1 361.475 2.600 20 30 FFEDMM C=CC[C@H]1N(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCCC1(C)C ZINC001588564917 1080100042 /nfs/dbraw/zinc/10/00/42/1080100042.db2.gz URBOIYWXULSVNL-GFCCVEGCSA-N -1 1 361.475 2.600 20 30 FFEDMM C=CCCCC(=O)N(C)CCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588582940 1080108421 /nfs/dbraw/zinc/10/84/21/1080108421.db2.gz RSVFDOJTJCLMAW-UHFFFAOYSA-N -1 1 369.882 2.593 20 30 FFEDMM C=CCCCC(=O)N(C)CCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588582940 1080108425 /nfs/dbraw/zinc/10/84/25/1080108425.db2.gz RSVFDOJTJCLMAW-UHFFFAOYSA-N -1 1 369.882 2.593 20 30 FFEDMM C=CCOc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC001588690029 1080155933 /nfs/dbraw/zinc/15/59/33/1080155933.db2.gz XPGMCVTXTBAUBC-UHFFFAOYSA-N -1 1 353.386 2.989 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(N)c(Cl)c2)o1 ZINC001589238549 1080440474 /nfs/dbraw/zinc/44/04/74/1080440474.db2.gz ZMLXSDIKJYRTBP-UHFFFAOYSA-N -1 1 360.809 2.834 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN1C2CCC1(C(=O)[O-])CC2 ZINC001589331596 1080485806 /nfs/dbraw/zinc/48/58/06/1080485806.db2.gz JDTQHFSGWHOTKC-VFPJAPOESA-N -1 1 373.478 2.958 20 30 FFEDMM C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589444237 1080537580 /nfs/dbraw/zinc/53/75/80/1080537580.db2.gz GZIICKIZAFCSIP-QVKFZJNVSA-N -1 1 363.417 2.614 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3c2cccc3O)o1 ZINC001589664415 1080657798 /nfs/dbraw/zinc/65/77/98/1080657798.db2.gz ASQWJMYMLKTCDJ-UHFFFAOYSA-N -1 1 353.386 2.521 20 30 FFEDMM CC(C)c1ccc(CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C2CC2)cc1 ZINC001589768949 1080722921 /nfs/dbraw/zinc/72/29/21/1080722921.db2.gz GTEDXQAALFWCHB-UHFFFAOYSA-N -1 1 360.425 2.821 20 30 FFEDMM CC(C)c1ccc(CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C2CC2)cc1 ZINC001589768949 1080722927 /nfs/dbraw/zinc/72/29/27/1080722927.db2.gz GTEDXQAALFWCHB-UHFFFAOYSA-N -1 1 360.425 2.821 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2COc3ccc(Cl)cc32)o1 ZINC001589773415 1080729667 /nfs/dbraw/zinc/72/96/67/1080729667.db2.gz BJAKPGAJLFLRFR-UHFFFAOYSA-N -1 1 359.777 2.840 20 30 FFEDMM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001590210418 1081095131 /nfs/dbraw/zinc/09/51/31/1081095131.db2.gz TVIKDIMSFPAFNL-CFVMTHIKSA-N -1 1 360.425 2.913 20 30 FFEDMM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001590210418 1081095138 /nfs/dbraw/zinc/09/51/38/1081095138.db2.gz TVIKDIMSFPAFNL-CFVMTHIKSA-N -1 1 360.425 2.913 20 30 FFEDMM Cc1ccc(CN2C[C@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2=O)cc1 ZINC000071869393 221385171 /nfs/dbraw/zinc/38/51/71/221385171.db2.gz ZHZVUMKWDVNYSN-LLVKDONJSA-N -1 1 367.331 2.769 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000287887886 257126446 /nfs/dbraw/zinc/12/64/46/257126446.db2.gz REGWEAGTJOLVQE-HIFRSBDPSA-N -1 1 370.789 2.752 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000373084895 512165610 /nfs/dbraw/zinc/16/56/10/512165610.db2.gz WDJVHVHYTHIOEK-MRXNPFEDSA-N -1 1 365.437 2.636 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)ccc1Cl ZINC000055583677 506788548 /nfs/dbraw/zinc/78/85/48/506788548.db2.gz PMRPCKZEQRRADL-UHFFFAOYSA-N -1 1 370.217 2.765 20 30 FFEDMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000055632412 506807140 /nfs/dbraw/zinc/80/71/40/506807140.db2.gz RMSVGCPAWBYBOF-UHFFFAOYSA-N -1 1 357.435 2.887 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657578 507894407 /nfs/dbraw/zinc/89/44/07/507894407.db2.gz SLODNHRXZRVVFM-VFNWGFHPSA-N -1 1 371.481 2.730 20 30 FFEDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC000092279535 508056810 /nfs/dbraw/zinc/05/68/10/508056810.db2.gz ZVYXWMOVFPUDHI-UHFFFAOYSA-N -1 1 355.419 2.960 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000153195533 508557804 /nfs/dbraw/zinc/55/78/04/508557804.db2.gz SGXZGMZJEYSRAQ-UHFFFAOYSA-N -1 1 369.362 2.657 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(F)cc1F ZINC000158019854 508645657 /nfs/dbraw/zinc/64/56/57/508645657.db2.gz ZSILQWJVABZXRV-UHFFFAOYSA-N -1 1 370.308 2.563 20 30 FFEDMM CN1C(=O)C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000189086576 509405595 /nfs/dbraw/zinc/40/55/95/509405595.db2.gz RZPYJGBFDFKCQW-YJBOKZPZSA-N -1 1 369.808 2.619 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C#N)C(C)(C)C ZINC000267963933 509690608 /nfs/dbraw/zinc/69/06/08/509690608.db2.gz FEPXGQVGLSGXED-OAHLLOKOSA-N -1 1 353.426 2.540 20 30 FFEDMM Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000190092344 509932998 /nfs/dbraw/zinc/93/29/98/509932998.db2.gz IGWRJTUKVXOXTE-UHFFFAOYSA-N -1 1 363.417 2.561 20 30 FFEDMM CC[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000183805466 509983587 /nfs/dbraw/zinc/98/35/87/509983587.db2.gz VNRIBDYMQXHTEV-OAHLLOKOSA-N -1 1 357.435 2.909 20 30 FFEDMM C[C@@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000171842280 510404050 /nfs/dbraw/zinc/40/40/50/510404050.db2.gz CXJHRUDLHROKTP-LBPRGKRZSA-N -1 1 361.398 2.516 20 30 FFEDMM Cc1ccc(CS(=O)(=O)[N-]c2cnn(-c3ncccc3C#N)c2)c(F)c1 ZINC000194707623 510488947 /nfs/dbraw/zinc/48/89/47/510488947.db2.gz HBAKADDAYJHMSK-UHFFFAOYSA-N -1 1 371.397 2.528 20 30 FFEDMM C[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000194744978 510507390 /nfs/dbraw/zinc/50/73/90/510507390.db2.gz YOZYGXIZALRZKO-GFCCVEGCSA-N -1 1 361.398 2.658 20 30 FFEDMM COc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1Br ZINC000187938014 510509838 /nfs/dbraw/zinc/50/98/38/510509838.db2.gz CTLRSDTWRBEMKK-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000188121933 510604649 /nfs/dbraw/zinc/60/46/49/510604649.db2.gz VPANECSPYAMOCG-VIFPVBQESA-N -1 1 362.842 2.977 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1[O-] ZINC000188607410 510842072 /nfs/dbraw/zinc/84/20/72/510842072.db2.gz LIFMPNSDWXASQY-GOSISDBHSA-N -1 1 363.417 2.689 20 30 FFEDMM CC1(C)C[C@]1(C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000292418029 511590322 /nfs/dbraw/zinc/59/03/22/511590322.db2.gz HSQFXSDBHLJEPE-OAHLLOKOSA-N -1 1 371.315 2.925 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1cccc(C#N)c1 ZINC000363969894 511879002 /nfs/dbraw/zinc/87/90/02/511879002.db2.gz LZBMCHZEFHDMPO-UHFFFAOYSA-N -1 1 373.416 2.625 20 30 FFEDMM COc1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc(Cl)c1[O-] ZINC000328693700 511916237 /nfs/dbraw/zinc/91/62/37/511916237.db2.gz JRDBCTYSNMFMQS-MEDUHNTESA-N -1 1 369.845 2.927 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)o1 ZINC000376346812 512777791 /nfs/dbraw/zinc/77/77/91/512777791.db2.gz BRPCOPNEEZNJGT-KRWDZBQOSA-N -1 1 357.366 2.753 20 30 FFEDMM N#Cc1cccc(-n2ccc(C(=O)N=c3cc(-c4cccs4)[n-][nH]3)n2)c1 ZINC000409508312 513115911 /nfs/dbraw/zinc/11/59/11/513115911.db2.gz LTLUGKPZYQYSML-UHFFFAOYSA-N -1 1 360.402 2.870 20 30 FFEDMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000447263417 513429870 /nfs/dbraw/zinc/42/98/70/513429870.db2.gz JAWWTELVQIFLGA-UHFFFAOYSA-N -1 1 358.423 2.809 20 30 FFEDMM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)n1 ZINC000451029500 513469611 /nfs/dbraw/zinc/46/96/11/513469611.db2.gz RLZWYKNGBBZWRU-UHFFFAOYSA-N -1 1 374.344 2.861 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)ccc1C#N ZINC000435721725 513667946 /nfs/dbraw/zinc/66/79/46/513667946.db2.gz JSJSHBJXKCWZPY-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM N#Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)cc1[O-] ZINC000442970490 513831826 /nfs/dbraw/zinc/83/18/26/513831826.db2.gz VULVJRHVNSPGFF-OAHLLOKOSA-N -1 1 371.393 2.557 20 30 FFEDMM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000443279105 513918148 /nfs/dbraw/zinc/91/81/48/513918148.db2.gz XQKIOWHLXBLOFQ-LBPRGKRZSA-N -1 1 358.398 2.653 20 30 FFEDMM CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443334558 513938425 /nfs/dbraw/zinc/93/84/25/513938425.db2.gz MXVPZNLCLLSQBY-UHFFFAOYSA-N -1 1 362.389 2.963 20 30 FFEDMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000427097904 514115256 /nfs/dbraw/zinc/11/52/56/514115256.db2.gz XXPYPWMPZZDCRJ-UHFFFAOYSA-N -1 1 374.418 2.682 20 30 FFEDMM Cc1ncc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)cc1C#N ZINC000427112958 514119261 /nfs/dbraw/zinc/11/92/61/514119261.db2.gz GHBBNYJJKDGIMN-UHFFFAOYSA-N -1 1 359.407 2.884 20 30 FFEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000452022521 514140584 /nfs/dbraw/zinc/14/05/84/514140584.db2.gz LNZRHPQJNIZHFE-VIFPVBQESA-N -1 1 357.781 2.964 20 30 FFEDMM CCC[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nn[n-]n1 ZINC000444272273 514175676 /nfs/dbraw/zinc/17/56/76/514175676.db2.gz ULENYJWHVQNMAZ-OAHLLOKOSA-N -1 1 351.414 2.729 20 30 FFEDMM COCc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc(C(=O)OC)c1 ZINC000427307842 514178657 /nfs/dbraw/zinc/17/86/57/514178657.db2.gz JZMNNHOLMJQLQQ-UHFFFAOYSA-N -1 1 374.418 2.601 20 30 FFEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC000432635274 514247753 /nfs/dbraw/zinc/24/77/53/514247753.db2.gz VYOPDYSGBDPXOT-UHFFFAOYSA-N -1 1 358.423 2.809 20 30 FFEDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475793024 514812634 /nfs/dbraw/zinc/81/26/34/514812634.db2.gz FHDVAAJZBVVGJE-UHFFFAOYSA-N -1 1 357.435 2.564 20 30 FFEDMM N#Cc1ccccc1Sc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477048975 515301349 /nfs/dbraw/zinc/30/13/49/515301349.db2.gz INRDCIXTGPZWAA-UHFFFAOYSA-N -1 1 362.418 2.642 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1[O-] ZINC000462926361 515302782 /nfs/dbraw/zinc/30/27/82/515302782.db2.gz OYAJWNCMTDTKGC-OAQYLSRUSA-N -1 1 350.418 2.721 20 30 FFEDMM CCN(CCC#N)S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000511349415 515873806 /nfs/dbraw/zinc/87/38/06/515873806.db2.gz DXHRINXWVMMGBR-UHFFFAOYSA-N -1 1 351.806 2.502 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C(N)=O)c1 ZINC000478683684 515924227 /nfs/dbraw/zinc/92/42/27/515924227.db2.gz FDJFWYFVJMTHLL-UHFFFAOYSA-N -1 1 373.434 2.554 20 30 FFEDMM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000488488329 516237975 /nfs/dbraw/zinc/23/79/75/516237975.db2.gz NYIAQFJCFDQKFM-CYBMUJFWSA-N -1 1 353.444 2.639 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)c1 ZINC000512459390 516286388 /nfs/dbraw/zinc/28/63/88/516286388.db2.gz GUMLMKQIZNGWSR-UHFFFAOYSA-N -1 1 370.434 2.692 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](C)C#N)cc2)cc1C ZINC000517641652 516394852 /nfs/dbraw/zinc/39/48/52/516394852.db2.gz ZBYRWCOVHGNMSA-ZDUSSCGKSA-N -1 1 371.462 2.994 20 30 FFEDMM C=CCn1c(Sc2nc3c(cnn3C)c(=O)[n-]2)nnc1-c1ccccc1 ZINC000539997315 516395260 /nfs/dbraw/zinc/39/52/60/516395260.db2.gz YVDRUZABKUVRBP-UHFFFAOYSA-N -1 1 365.422 2.665 20 30 FFEDMM N#CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000544255512 516665608 /nfs/dbraw/zinc/66/56/08/516665608.db2.gz JTYQZQRMLOBSAL-UHFFFAOYSA-N -1 1 361.398 2.660 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)C#N)c2)c1 ZINC000520360202 517359787 /nfs/dbraw/zinc/35/97/87/517359787.db2.gz DPBDHVUAZWGNJQ-CQSZACIVSA-N -1 1 371.462 2.994 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000530133992 517584506 /nfs/dbraw/zinc/58/45/06/517584506.db2.gz JBMYBGLPOPFUNO-UHFFFAOYSA-N -1 1 367.430 2.503 20 30 FFEDMM COCCn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(C)n1 ZINC000542952378 517836870 /nfs/dbraw/zinc/83/68/70/517836870.db2.gz WTOLGDTZQHUZEQ-GFCCVEGCSA-N -1 1 352.316 2.742 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCC#N)cc2)cc1 ZINC000543310697 518017696 /nfs/dbraw/zinc/01/76/96/518017696.db2.gz RDQIIGRQHHOMQO-UHFFFAOYSA-N -1 1 357.435 2.829 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCc3ccccc32)c1 ZINC000578809271 518382586 /nfs/dbraw/zinc/38/25/86/518382586.db2.gz DYDANCNEEGCOBE-OAHLLOKOSA-N -1 1 367.352 2.636 20 30 FFEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000579088998 518515714 /nfs/dbraw/zinc/51/57/14/518515714.db2.gz WIKAILFPGPINQD-UHFFFAOYSA-N -1 1 369.446 2.913 20 30 FFEDMM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589189014 518946373 /nfs/dbraw/zinc/94/63/73/518946373.db2.gz UAVPMYNPYBCFCE-LBPRGKRZSA-N -1 1 358.398 2.653 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)cc2C[C@H]1C ZINC000589594394 519038072 /nfs/dbraw/zinc/03/80/72/519038072.db2.gz URBJWRNYOZHKTK-LLVKDONJSA-N -1 1 373.409 2.796 20 30 FFEDMM C=CCCSCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594815320 520170262 /nfs/dbraw/zinc/17/02/62/520170262.db2.gz QGUKOFPMCDLMHI-UHFFFAOYSA-N -1 1 350.849 2.836 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000613501600 520531560 /nfs/dbraw/zinc/53/15/60/520531560.db2.gz HZKBCGFZNBHPLL-OAHLLOKOSA-N -1 1 371.393 2.557 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000613501597 520531692 /nfs/dbraw/zinc/53/16/92/520531692.db2.gz HZKBCGFZNBHPLL-HNNXBMFYSA-N -1 1 371.393 2.557 20 30 FFEDMM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614298539 520897103 /nfs/dbraw/zinc/89/71/03/520897103.db2.gz SFOLYBQAECOBIJ-OAHLLOKOSA-N -1 1 371.824 2.935 20 30 FFEDMM COc1ccc(C2(NC(=O)c3ccc(C#N)c([O-])c3)CCOCC2)cc1 ZINC000615473986 521415728 /nfs/dbraw/zinc/41/57/28/521415728.db2.gz OJPNIWCHCPATKV-UHFFFAOYSA-N -1 1 352.390 2.708 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1C(=O)N(C)C ZINC000619462992 521580767 /nfs/dbraw/zinc/58/07/67/521580767.db2.gz MNUPHWMMDYKUSU-UHFFFAOYSA-N -1 1 357.435 2.564 20 30 FFEDMM C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000619732729 521843188 /nfs/dbraw/zinc/84/31/88/521843188.db2.gz PEEUWKOYBPGXLV-CQSZACIVSA-N -1 1 351.406 2.555 20 30 FFEDMM C=CC[C@H](C(=O)Nc1nc2nc(CCC)cc(=O)n2[n-]1)c1ccccc1 ZINC000622997369 523610320 /nfs/dbraw/zinc/61/03/20/523610320.db2.gz WPPMAQVIIPSYHV-HNNXBMFYSA-N -1 1 351.410 2.669 20 30 FFEDMM C=CCCc1ccccc1NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000505046741 561665716 /nfs/dbraw/zinc/66/57/16/561665716.db2.gz YHWFCQKKUUDVBD-UHFFFAOYSA-N -1 1 358.471 2.593 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC(C(=O)[O-])CC2)c1 ZINC000740068009 596919474 /nfs/dbraw/zinc/91/94/74/596919474.db2.gz ZOGNBRLTDOZTDZ-INIZCTEOSA-N -1 1 357.454 2.735 20 30 FFEDMM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818631399 597082063 /nfs/dbraw/zinc/08/20/63/597082063.db2.gz SLDUAWLIIGOPMH-CVEARBPZSA-N -1 1 373.453 2.517 20 30 FFEDMM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818631400 597082313 /nfs/dbraw/zinc/08/23/13/597082313.db2.gz SLDUAWLIIGOPMH-HOTGVXAUSA-N -1 1 373.453 2.517 20 30 FFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000819847042 597654000 /nfs/dbraw/zinc/65/40/00/597654000.db2.gz JMXRSGYHAJHKAS-LBPRGKRZSA-N -1 1 361.579 2.751 20 30 FFEDMM C=CCc1cc(CNc2cccc(-c3nnn[n-]3)n2)cc(OC)c1OC ZINC000735443064 599421827 /nfs/dbraw/zinc/42/18/27/599421827.db2.gz OFBUVIQOAXWCAQ-UHFFFAOYSA-N -1 1 352.398 2.620 20 30 FFEDMM C=CCc1cc(CNc2cccc(-c3nn[n-]n3)n2)cc(OC)c1OC ZINC000735443064 599421829 /nfs/dbraw/zinc/42/18/29/599421829.db2.gz OFBUVIQOAXWCAQ-UHFFFAOYSA-N -1 1 352.398 2.620 20 30 FFEDMM N#CCCN(C(=O)CN1CCCC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000739073648 599754930 /nfs/dbraw/zinc/75/49/30/599754930.db2.gz XWWFPMVGVGOHKS-OAHLLOKOSA-N -1 1 363.845 2.916 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000739130352 600237348 /nfs/dbraw/zinc/23/73/48/600237348.db2.gz RYAUNLNSLRZIDQ-UHFFFAOYSA-N -1 1 368.317 2.659 20 30 FFEDMM C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(C#N)c1 ZINC000827727040 600693680 /nfs/dbraw/zinc/69/36/80/600693680.db2.gz FJGUPEFOWKFJCT-NHYWBVRUSA-N -1 1 355.419 2.774 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(F)cc(C(F)(F)F)c2)o1 ZINC000822423158 607465251 /nfs/dbraw/zinc/46/52/51/607465251.db2.gz IGGWEUSGAARKJP-UHFFFAOYSA-N -1 1 355.255 2.767 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000827217379 601173278 /nfs/dbraw/zinc/17/32/78/601173278.db2.gz CLQCIMQJJFTJCM-KZULUSFZSA-N -1 1 361.467 2.862 20 30 FFEDMM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000825894377 603560264 /nfs/dbraw/zinc/56/02/64/603560264.db2.gz GSWKSDFZWCXVSW-YJYMSZOUSA-N -1 1 369.425 2.914 20 30 FFEDMM O=C([O-])NCCCOC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000832633733 603972902 /nfs/dbraw/zinc/97/29/02/603972902.db2.gz VWEDKGDBFXRORE-UHFFFAOYSA-N -1 1 350.846 2.830 20 30 FFEDMM O=C([O-])NC[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000834216746 605641779 /nfs/dbraw/zinc/64/17/79/605641779.db2.gz AEHVMINXFDLVKS-AWEZNQCLSA-N -1 1 356.344 2.916 20 30 FFEDMM O=C([O-])NCC1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000834224958 605675951 /nfs/dbraw/zinc/67/59/51/605675951.db2.gz MCFSGWIROCAJMP-UHFFFAOYSA-N -1 1 356.344 2.916 20 30 FFEDMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000833827626 605901811 /nfs/dbraw/zinc/90/18/11/605901811.db2.gz BVWPOGCWGDLKIK-OCCSQVGLSA-N -1 1 356.344 2.915 20 30 FFEDMM CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821421944 606550163 /nfs/dbraw/zinc/55/01/63/606550163.db2.gz ISMXMPOCUVEEPG-UHFFFAOYSA-N -1 1 368.422 2.887 20 30 FFEDMM CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821421944 606550165 /nfs/dbraw/zinc/55/01/65/606550165.db2.gz ISMXMPOCUVEEPG-UHFFFAOYSA-N -1 1 368.422 2.887 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OCC#N ZINC000826178870 608093615 /nfs/dbraw/zinc/09/36/15/608093615.db2.gz PHIIOVBZJYKBOH-RQOWECAXSA-N -1 1 367.390 2.735 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OCC#N ZINC000826178870 608093616 /nfs/dbraw/zinc/09/36/16/608093616.db2.gz PHIIOVBZJYKBOH-RQOWECAXSA-N -1 1 367.390 2.735 20 30 FFEDMM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962603 608094641 /nfs/dbraw/zinc/09/46/41/608094641.db2.gz MGWUCRSBHTZULK-UHFFFAOYSA-N -1 1 352.383 2.814 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccn(-c3ccccc3)n2)o1 ZINC000824352520 608317502 /nfs/dbraw/zinc/31/75/02/608317502.db2.gz GWJXPOOPBXVLFJ-UHFFFAOYSA-N -1 1 363.385 2.610 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc([N+](=O)[O-])c1F ZINC000154298947 728801289 /nfs/dbraw/zinc/80/12/89/728801289.db2.gz KOVOPPUAGWPFNW-UHFFFAOYSA-N -1 1 353.306 2.854 20 30 FFEDMM C#Cc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000103031105 728494079 /nfs/dbraw/zinc/49/40/79/728494079.db2.gz MVTNBHNFXVMXDP-UHFFFAOYSA-N -1 1 360.435 2.614 20 30 FFEDMM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1cccc(Br)c1 ZINC000120669971 728614000 /nfs/dbraw/zinc/61/40/00/728614000.db2.gz NNHMDUAESOQWBG-NSHDSACASA-N -1 1 359.170 2.680 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C#N)ccc2C)cc1 ZINC000125785785 728687865 /nfs/dbraw/zinc/68/78/65/728687865.db2.gz JAYCUNNJGDNDKU-AWEZNQCLSA-N -1 1 357.435 2.746 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OCC(F)(F)F)c(=O)o1 ZINC000132424597 728724482 /nfs/dbraw/zinc/72/44/82/728724482.db2.gz FYLJPYXJLPHAHL-LQYUOIDQSA-N -1 1 354.280 2.856 20 30 FFEDMM C#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000191128407 729414546 /nfs/dbraw/zinc/41/45/46/729414546.db2.gz JMMGJKIPGZDMJN-UHFFFAOYSA-N -1 1 360.410 2.640 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869736502 731434038 /nfs/dbraw/zinc/43/40/38/731434038.db2.gz IWMAAPNNWBRIDR-PIGZYNQJSA-N -1 1 352.818 2.574 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)s1 ZINC000870161568 731476896 /nfs/dbraw/zinc/47/68/96/731476896.db2.gz OOLLTTWZYOLJIR-UHFFFAOYSA-N -1 1 361.854 2.937 20 30 FFEDMM C=CCn1c([C@@H](C)CC)nnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871053692 731590716 /nfs/dbraw/zinc/59/07/16/731590716.db2.gz GBXLDNRNFVQJFB-NHYWBVRUSA-N -1 1 359.396 2.625 20 30 FFEDMM O=C1[N-][C@@H](c2cc(F)ccc2F)C(=O)N1CCOC(F)(F)C(F)(F)F ZINC000871908826 731699250 /nfs/dbraw/zinc/69/92/50/731699250.db2.gz RHDPWZDQYVIALE-VIFPVBQESA-N -1 1 374.212 2.729 20 30 FFEDMM C=CCOCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000657148240 731738798 /nfs/dbraw/zinc/73/87/98/731738798.db2.gz UVJWXWVBYCYJCK-UHFFFAOYSA-N -1 1 370.215 2.598 20 30 FFEDMM C#CC[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)(C)C ZINC000781552012 738636032 /nfs/dbraw/zinc/63/60/32/738636032.db2.gz WQCBQZCQSURDRJ-CYBMUJFWSA-N -1 1 355.456 2.951 20 30 FFEDMM C=CCN(Cc1cc(C)cc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000781902207 738669782 /nfs/dbraw/zinc/66/97/82/738669782.db2.gz OFAMGYUJMLDTEP-ZDUSSCGKSA-N -1 1 374.300 2.638 20 30 FFEDMM N#CC(=C([O-])c1cnc2ncc(Br)cc2c1)c1ccncn1 ZINC000682006030 734043510 /nfs/dbraw/zinc/04/35/10/734043510.db2.gz ROIWXOBIMJCLQE-GFCCVEGCSA-N -1 1 354.167 2.672 20 30 FFEDMM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cnc(C4CC4)o3)sc2C1 ZINC000893051372 734644061 /nfs/dbraw/zinc/64/40/61/734644061.db2.gz DIOBTBCCNBBYRE-UHFFFAOYSA-N -1 1 356.407 2.642 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c1 ZINC000730995581 734661540 /nfs/dbraw/zinc/66/15/40/734661540.db2.gz GUQXLWQETORUDO-UHFFFAOYSA-N -1 1 361.419 2.825 20 30 FFEDMM C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000730996093 734661607 /nfs/dbraw/zinc/66/16/07/734661607.db2.gz MPVYZCHPSUVHMC-UHFFFAOYSA-N -1 1 351.405 2.568 20 30 FFEDMM O=C1Nc2cc(O)ccc2C1=NN=c1[n-]c(-c2ccc(Cl)cc2)no1 ZINC000732925975 734776916 /nfs/dbraw/zinc/77/69/16/734776916.db2.gz XAPQFVJVXUMKQZ-UHFFFAOYSA-N -1 1 355.741 2.864 20 30 FFEDMM O=C1Nc2cc(O)ccc2C1=NN=c1nc(-c2ccc(Cl)cc2)[n-]o1 ZINC000732925975 734776920 /nfs/dbraw/zinc/77/69/20/734776920.db2.gz XAPQFVJVXUMKQZ-UHFFFAOYSA-N -1 1 355.741 2.864 20 30 FFEDMM C#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000733287366 734804338 /nfs/dbraw/zinc/80/43/38/734804338.db2.gz DPJAUYRFPQNDCN-UHFFFAOYSA-N -1 1 364.373 2.519 20 30 FFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000747604210 735572603 /nfs/dbraw/zinc/57/26/03/735572603.db2.gz ZGEZARVNQJWYEC-UHFFFAOYSA-N -1 1 357.805 2.869 20 30 FFEDMM O=C([O-])c1ccc(Br)c(C=NNCCN2CCCCC2)c1 ZINC000901169519 735753078 /nfs/dbraw/zinc/75/30/78/735753078.db2.gz FBVOIHQKJNTSIX-UHFFFAOYSA-N -1 1 354.248 2.557 20 30 FFEDMM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cccc(F)c2C#N)c1C ZINC000755288783 736247261 /nfs/dbraw/zinc/24/72/61/736247261.db2.gz FKSSGKFSFUVAEE-UHFFFAOYSA-N -1 1 366.370 2.587 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(Cl)cc2[O-])[C@@H](C#N)C1 ZINC000757597802 736412180 /nfs/dbraw/zinc/41/21/80/736412180.db2.gz UEBADZGZVBLJHZ-GWCFXTLKSA-N -1 1 365.817 2.534 20 30 FFEDMM COC(=O)c1ccc(N=NCc2cccc(Br)c2[O-])nc1 ZINC000758127240 736454639 /nfs/dbraw/zinc/45/46/39/736454639.db2.gz RLZGNQHNJGTSKT-UHFFFAOYSA-N -1 1 350.172 2.782 20 30 FFEDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C#N)sc3ccccc32)c2nccn21 ZINC000907232290 736600031 /nfs/dbraw/zinc/60/00/31/736600031.db2.gz MRAHZFAEFNOOPK-PWSUYJOCSA-N -1 1 358.448 2.954 20 30 FFEDMM C#C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000799048328 740383995 /nfs/dbraw/zinc/38/39/95/740383995.db2.gz FXWJMFAIRNWBGJ-GOSISDBHSA-N -1 1 356.447 2.875 20 30 FFEDMM [O-]c1c(Br)cccc1C=NNc1ccc(-n2ccnc2)nn1 ZINC000761861411 736767150 /nfs/dbraw/zinc/76/71/50/736767150.db2.gz YKQIUIALMXUVFV-UHFFFAOYSA-N -1 1 359.187 2.576 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2C[C@@H]3CCCc4cccc2c43)c2ccccc21 ZINC000763353505 736929976 /nfs/dbraw/zinc/92/99/76/736929976.db2.gz DPPUPMREHNIBJB-ZDUSSCGKSA-N -1 1 351.431 2.953 20 30 FFEDMM CC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766020401 737183680 /nfs/dbraw/zinc/18/36/80/737183680.db2.gz MUOBPOWUUINFCY-UHFFFAOYSA-N -1 1 367.196 2.917 20 30 FFEDMM COc1cccc(S(C)(=O)=O)c1N=NCc1cccc(Cl)c1[O-] ZINC000767393780 737321309 /nfs/dbraw/zinc/32/13/09/737321309.db2.gz OTEFSLZOHWKXCC-UHFFFAOYSA-N -1 1 354.815 2.904 20 30 FFEDMM COc1cccc(S(C)(=O)=O)c1NN=Cc1cccc(Cl)c1[O-] ZINC000767393780 737321313 /nfs/dbraw/zinc/32/13/13/737321313.db2.gz OTEFSLZOHWKXCC-UHFFFAOYSA-N -1 1 354.815 2.904 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2c(O)ccc3ccccc32)c2ccccc21 ZINC000914599594 737585726 /nfs/dbraw/zinc/58/57/26/737585726.db2.gz JKQSPYFXZLFPMH-UHFFFAOYSA-N -1 1 351.387 2.618 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccccc1OC(F)F ZINC000914599824 737586087 /nfs/dbraw/zinc/58/60/87/737586087.db2.gz LCAHFJOQBSATEQ-UHFFFAOYSA-N -1 1 365.361 2.751 20 30 FFEDMM Cc1cc(C)c2c(c1)C(=NN=C1[N-]S(=O)(=O)c3ccccc31)CCO2 ZINC000920375596 737903522 /nfs/dbraw/zinc/90/35/22/737903522.db2.gz MWLKOJJQPPHGKJ-UHFFFAOYSA-N -1 1 355.419 2.529 20 30 FFEDMM CCCCCCCCN1C(=O)C(=CNc2ccccn2)C(=O)[N-]C1=S ZINC000920979353 737937765 /nfs/dbraw/zinc/93/77/65/737937765.db2.gz IYMBDILOXBJSCE-BUHFOSPRSA-N -1 1 360.483 2.981 20 30 FFEDMM CC(C)(C)[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000814822598 741868140 /nfs/dbraw/zinc/86/81/40/741868140.db2.gz UPTGFILECODMLU-AWEZNQCLSA-N -1 1 371.484 2.922 20 30 FFEDMM CCc1ccc2c(c1)C(=NN=c1[n-]nc(-c3ccccn3)s1)C(=O)N2 ZINC000788028400 739199062 /nfs/dbraw/zinc/19/90/62/739199062.db2.gz MLYWFFUGIXBKDX-UHFFFAOYSA-N -1 1 350.407 2.931 20 30 FFEDMM NC(=O)c1ccccc1C=Nn1c(SCc2ccccc2)n[n-]c1=S ZINC000788702137 739274218 /nfs/dbraw/zinc/27/42/18/739274218.db2.gz PFBXBFHBEGLLOK-UHFFFAOYSA-N -1 1 369.475 2.840 20 30 FFEDMM Cc1nn(C)c(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)c1Br ZINC000790601974 739473460 /nfs/dbraw/zinc/47/34/60/739473460.db2.gz YSMBFPYJSJEGLE-XQRVVYSFSA-N -1 1 365.183 2.791 20 30 FFEDMM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000796094589 740100083 /nfs/dbraw/zinc/10/00/83/740100083.db2.gz BVIBDKOOQKSSRT-ZDUSSCGKSA-N -1 1 350.421 2.569 20 30 FFEDMM C=CC[C@@H](CCc1ccccc1)OC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000797565604 740257074 /nfs/dbraw/zinc/25/70/74/740257074.db2.gz YCPQZMKITYGIFK-INIZCTEOSA-N -1 1 363.435 2.922 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1CCCO1 ZINC000797832812 740278001 /nfs/dbraw/zinc/27/80/01/740278001.db2.gz NSEORTMEWXNVKH-RYUDHWBXSA-N -1 1 352.214 2.592 20 30 FFEDMM C#C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(C)C ZINC000799044579 740383281 /nfs/dbraw/zinc/38/32/81/740383281.db2.gz PIYTWGATGVULHI-SFHVURJKSA-N -1 1 356.447 2.875 20 30 FFEDMM C[C@H]1CCN(C(=O)C2(C#N)CCCCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809250861 741295569 /nfs/dbraw/zinc/29/55/69/741295569.db2.gz SOYWSVDYRLPXKQ-AVGNSLFASA-N -1 1 359.392 2.764 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccc(F)cc1 ZINC000812526032 741629580 /nfs/dbraw/zinc/62/95/80/741629580.db2.gz AKOZVVYQYCHWME-HNNXBMFYSA-N -1 1 355.337 2.765 20 30 FFEDMM Cn1cnc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)c1Cl ZINC000814288113 741809569 /nfs/dbraw/zinc/80/95/69/741809569.db2.gz PJJQXITVXFOLKC-ZDUSSCGKSA-N -1 1 352.847 2.787 20 30 FFEDMM COc1cccc(S(C)(=O)=O)c1N=NC(C)c1csc(C(=O)[O-])c1 ZINC000814905766 741873847 /nfs/dbraw/zinc/87/38/47/741873847.db2.gz RFBHHLSINVCSTE-UHFFFAOYSA-N -1 1 368.436 2.695 20 30 FFEDMM COCc1nc(Cl)cc(N=NC(C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000814977007 741877703 /nfs/dbraw/zinc/87/77/03/741877703.db2.gz STDPQYCWTXZUGC-UHFFFAOYSA-N -1 1 351.750 2.726 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000814991652 741880022 /nfs/dbraw/zinc/88/00/22/741880022.db2.gz RJQFNHWKUMLXND-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM CCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000815907358 741971977 /nfs/dbraw/zinc/97/19/77/741971977.db2.gz YXFVVHVOPKJVAH-LLVKDONJSA-N -1 1 365.365 2.574 20 30 FFEDMM CC(C)(C)C#CC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817677931 742195654 /nfs/dbraw/zinc/19/56/54/742195654.db2.gz OURYCIHSIFKXFH-ZDUSSCGKSA-N -1 1 352.356 2.672 20 30 FFEDMM N#Cc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000841571220 747408002 /nfs/dbraw/zinc/40/80/02/747408002.db2.gz BKEUSSFOGXLGGW-AWEZNQCLSA-N -1 1 363.420 2.884 20 30 FFEDMM C#C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000842365515 747580045 /nfs/dbraw/zinc/58/00/45/747580045.db2.gz PJUOUYRXWDUYJE-AWEZNQCLSA-N -1 1 361.419 2.888 20 30 FFEDMM N#C[C@H](C(=O)[C@H]1CCC(=O)C1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000842681729 747658526 /nfs/dbraw/zinc/65/85/26/747658526.db2.gz HPTPBWLHZVDRMQ-JOYOIKCWSA-N -1 1 355.419 2.821 20 30 FFEDMM C#CC[C@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000843998406 747948298 /nfs/dbraw/zinc/94/82/98/747948298.db2.gz CDVVWIYVBFEEFD-NSHDSACASA-N -1 1 369.202 2.872 20 30 FFEDMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000844659060 748068430 /nfs/dbraw/zinc/06/84/30/748068430.db2.gz LTPUXCOBHZFIFP-MRXNPFEDSA-N -1 1 368.455 2.819 20 30 FFEDMM C#C[C@H]1CCCC[C@H]1OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000851531440 749613137 /nfs/dbraw/zinc/61/31/37/749613137.db2.gz HRTGIWPJOMXUKA-QWHCGFSZSA-N -1 1 353.440 2.705 20 30 FFEDMM C#Cc1cccc(NC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC000854263047 750272552 /nfs/dbraw/zinc/27/25/52/750272552.db2.gz SIOVPPVHIBTBRY-RISCZKNCSA-N -1 1 353.344 2.589 20 30 FFEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000393785936 845861727 /nfs/dbraw/zinc/86/17/27/845861727.db2.gz MBQHUAJHQQZQLD-JTQLQIEISA-N -1 1 363.233 2.990 20 30 FFEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(O[C@H](C)C#N)cc2)[n-]c1=O ZINC000191479868 971641966 /nfs/dbraw/zinc/64/19/66/971641966.db2.gz UUMAITPNUJBWMV-CNELAYHGSA-N -1 1 353.378 2.798 20 30 FFEDMM COc1cc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc([N+](=O)[O-])c1O ZINC000208030034 959667206 /nfs/dbraw/zinc/66/72/06/959667206.db2.gz CQWSTAVDCOFDKP-UQCOIBPSSA-N -1 1 373.317 2.669 20 30 FFEDMM CN1CCN(c2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cc2C#N)CC1 ZINC001175218863 1013416177 /nfs/dbraw/zinc/41/61/77/1013416177.db2.gz OWBLVTVDKZNQHY-UHFFFAOYSA-N -1 1 354.385 2.891 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1[O-] ZINC001175943211 1013585330 /nfs/dbraw/zinc/58/53/30/1013585330.db2.gz DMBWDIOVIOAJLF-GDBMZVCRSA-N -1 1 364.323 2.528 20 30 FFEDMM C=CCCC[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC001176187549 1013645218 /nfs/dbraw/zinc/64/52/18/1013645218.db2.gz HCVHXTZFKWNNRB-MRXNPFEDSA-N -1 1 353.422 2.731 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)OCC ZINC001213383661 967435562 /nfs/dbraw/zinc/43/55/62/967435562.db2.gz XAOLDSDLAAPLGZ-LBPRGKRZSA-N -1 1 357.815 2.785 20 30 FFEDMM COc1ccc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1C#N ZINC001604792501 974029197 /nfs/dbraw/zinc/02/91/97/974029197.db2.gz LDNPRDUKSJANFG-HNNXBMFYSA-N -1 1 369.421 2.751 20 30 FFEDMM C=CCN1CC[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)C1=O ZINC001271997857 979430682 /nfs/dbraw/zinc/43/06/82/979430682.db2.gz OXGIPKBFYFUPAZ-KRWDZBQOSA-N -1 1 368.355 2.662 20 30 FFEDMM COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3O)[C@H]2C)cc1C#N ZINC001088471620 979755981 /nfs/dbraw/zinc/75/59/81/979755981.db2.gz WETQPNYCYQFJSZ-KDOFPFPSSA-N -1 1 365.433 2.665 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccc(F)cc1 ZINC001211945907 981233502 /nfs/dbraw/zinc/23/35/02/981233502.db2.gz HUOWNTPQLSQUDG-QMHKHESXSA-N -1 1 372.487 2.765 20 30 FFEDMM C=CCn1c(N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)nnc1C(C)(C)C ZINC000908639889 981483508 /nfs/dbraw/zinc/48/35/08/981483508.db2.gz LAJWVVNTDBRZTG-GFCCVEGCSA-N -1 1 358.446 2.607 20 30 FFEDMM C=CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908665546 981494360 /nfs/dbraw/zinc/49/43/60/981494360.db2.gz TUGVQEQEQOBKQJ-CHWSQXEVSA-N -1 1 358.446 2.823 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000912065304 983947402 /nfs/dbraw/zinc/94/74/02/983947402.db2.gz ZPJCCKTZRKWCTP-XJEOHGKISA-N -1 1 371.403 2.764 20 30 FFEDMM C[C@@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C)C#N)cc2)cc1 ZINC000916076154 989736290 /nfs/dbraw/zinc/73/62/90/989736290.db2.gz XSJJFYZABBYKTB-QWHCGFSZSA-N -1 1 374.418 2.610 20 30 FFEDMM CN(C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000809667035 994576253 /nfs/dbraw/zinc/57/62/53/994576253.db2.gz PDDNEXFZYDOUMD-CYBMUJFWSA-N -1 1 359.426 2.593 20 30 FFEDMM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000809666747 994576674 /nfs/dbraw/zinc/57/66/74/994576674.db2.gz KRNPMYONPAWSPB-GOSISDBHSA-N -1 1 365.389 2.516 20 30 FFEDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809783114 994612428 /nfs/dbraw/zinc/61/24/28/994612428.db2.gz RKORTKUFBJPIFU-MLGOLLRUSA-N -1 1 359.426 2.639 20 30 FFEDMM C[C@](O)(CN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC001593396237 995138423 /nfs/dbraw/zinc/13/84/23/995138423.db2.gz JMVMMHMDECSILS-FJXKBIBVSA-N -1 1 373.240 2.520 20 30 FFEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnc(SC)[n-]c2=O)c1 ZINC001136814038 996779880 /nfs/dbraw/zinc/77/98/80/996779880.db2.gz RVCKBDROEKFTIN-LBPRGKRZSA-N -1 1 358.423 2.515 20 30 FFEDMM C[C@H]1CC(=NNc2cc(C(=O)[O-])ccc2Br)c2ncnn21 ZINC001594197355 998763589 /nfs/dbraw/zinc/76/35/89/998763589.db2.gz QRZOIJWGFIZVSW-ZETCQYMHSA-N -1 1 350.176 2.520 20 30 FFEDMM C[C@H](CN1CCN(c2ccccc2)CC1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000741466300 999728647 /nfs/dbraw/zinc/72/86/47/999728647.db2.gz LUCCSVDBLGTABL-QAIWHXNASA-N -1 1 368.437 2.930 20 30 FFEDMM COc1ccccc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nccn1C ZINC000785487213 1000016550 /nfs/dbraw/zinc/01/65/50/1000016550.db2.gz CCPLFQHAIYIQOV-GOSISDBHSA-N -1 1 362.389 2.525 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785540421 1001451372 /nfs/dbraw/zinc/45/13/72/1001451372.db2.gz JNGPXVSTXZRZDU-ZDUSSCGKSA-N -1 1 359.426 2.641 20 30 FFEDMM CC(=NN[C@H]1CCOC1)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000788445575 1001803833 /nfs/dbraw/zinc/80/38/33/1001803833.db2.gz HRWBDDNHDLDFSD-SFHVURJKSA-N -1 1 373.478 2.898 20 30 FFEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000788746387 1001865709 /nfs/dbraw/zinc/86/57/09/1001865709.db2.gz DPBRACUBWDANHO-UHFFFAOYSA-N -1 1 374.418 2.875 20 30 FFEDMM Cn1ncc2c1[n-]c(NN=C1C[C@@H](Oc3ccccc3)C1(C)C)nc2=O ZINC000789017335 1001945966 /nfs/dbraw/zinc/94/59/66/1001945966.db2.gz DPZSNLATAICKAI-CQSZACIVSA-N -1 1 352.398 2.714 20 30 FFEDMM CC(C)C[C@@](C)(O)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001183962437 1002454246 /nfs/dbraw/zinc/45/42/46/1002454246.db2.gz KGWBVHUPWAZYNJ-HRYJJRBTSA-N -1 1 374.466 2.957 20 30 FFEDMM COCCCCC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001185614583 1003005620 /nfs/dbraw/zinc/00/56/20/1003005620.db2.gz TZWQJVROFKTPLE-WOJGMQOQSA-N -1 1 360.439 2.977 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3nsnc3c2)cc(F)c1F ZINC001186271540 1003253345 /nfs/dbraw/zinc/25/33/45/1003253345.db2.gz SXLTVNWTUJUDLF-UHFFFAOYSA-N -1 1 352.347 2.642 20 30 FFEDMM C#Cc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccn1 ZINC001186633461 1003377400 /nfs/dbraw/zinc/37/74/00/1003377400.db2.gz LSBUNVJONFZEQT-UHFFFAOYSA-N -1 1 364.426 2.865 20 30 FFEDMM CC[C@H](CC#N)NC(=O)c1cc(I)c(C)cc1[O-] ZINC001196138257 1003675625 /nfs/dbraw/zinc/67/56/25/1003675625.db2.gz IHUXXBZEJJWDSN-SECBINFHSA-N -1 1 358.179 2.727 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCCN3CCCCC3=O)c2)c1 ZINC001196297306 1003739250 /nfs/dbraw/zinc/73/92/50/1003739250.db2.gz KPUPBIDLVZQCLI-UHFFFAOYSA-N -1 1 363.417 2.673 20 30 FFEDMM CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000804677637 1003778621 /nfs/dbraw/zinc/77/86/21/1003778621.db2.gz PTDFZHXQMVTZQK-INIZCTEOSA-N -1 1 359.426 2.737 20 30 FFEDMM N#CNC(=NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1)c1ccncc1 ZINC001191511079 1003859123 /nfs/dbraw/zinc/85/91/23/1003859123.db2.gz WFYKCRLERLJWOQ-UHFFFAOYSA-N -1 1 370.368 2.676 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC001197109955 1004088292 /nfs/dbraw/zinc/08/82/92/1004088292.db2.gz IGGLQLNGYNUDLC-VMPITWQZSA-N -1 1 360.366 2.684 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(=O)N(C)Cc2ccccc2)c1 ZINC001193147006 1004389796 /nfs/dbraw/zinc/38/97/96/1004389796.db2.gz VRMKIECCJNLKKP-CQSZACIVSA-N -1 1 357.435 2.613 20 30 FFEDMM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnc(OC2CCOCC2)nc1 ZINC001199516641 1004962755 /nfs/dbraw/zinc/96/27/55/1004962755.db2.gz NAFGKEMYOFSLKT-UHFFFAOYSA-N -1 1 364.361 2.905 20 30 FFEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195455866 1004964241 /nfs/dbraw/zinc/96/42/41/1004964241.db2.gz PEIWMMHDGBYPRG-LURJTMIESA-N -1 1 355.616 2.822 20 30 FFEDMM CCCCCCCN1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001201798200 1005268737 /nfs/dbraw/zinc/26/87/37/1005268737.db2.gz QWCZJJNIPBFIKR-AWEZNQCLSA-N -1 1 358.529 2.988 20 30 FFEDMM 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1 364.037 2.713 20 30 FFEDMM C#CCN(CC1CC1)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC001255919784 1038248013 /nfs/dbraw/zinc/24/80/13/1038248013.db2.gz QWVATWADYMJKFA-UHFFFAOYSA-N -1 1 359.223 2.776 20 30 FFEDMM O=c1[n-]c(=S)[nH]c(NC[C@H](O)C(F)(F)F)c1N=Cc1ccccc1 ZINC001250963946 1038854216 /nfs/dbraw/zinc/85/42/16/1038854216.db2.gz VEHINJGASYXHDY-YSITYURMSA-N -1 1 358.345 2.557 20 30 FFEDMM COc1cnc(Br)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258201473 1039265354 /nfs/dbraw/zinc/26/53/54/1039265354.db2.gz DAUKNJFCFSGPSN-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259043135 1039667621 /nfs/dbraw/zinc/66/76/21/1039667621.db2.gz QIMZLOSTTMTFGU-ZDUSSCGKSA-N -1 1 365.373 2.526 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(Br)n1 ZINC001259064102 1039682007 /nfs/dbraw/zinc/68/20/07/1039682007.db2.gz ZHBWQZYPYXNOMH-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C#N)c2)c1 ZINC001259124704 1039731611 /nfs/dbraw/zinc/73/16/11/1039731611.db2.gz GLAUIIRHQRNQNI-UHFFFAOYSA-N -1 1 362.208 2.993 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(CO)cs3)c2)c1 ZINC001259125968 1039732520 /nfs/dbraw/zinc/73/25/20/1039732520.db2.gz COQQRIATMXPEEW-UHFFFAOYSA-N -1 1 371.443 2.975 20 30 FFEDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)cc1 ZINC001259322882 1039911438 /nfs/dbraw/zinc/91/14/38/1039911438.db2.gz CSZPWMUXFZMRAV-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC001259324906 1039913445 /nfs/dbraw/zinc/91/34/45/1039913445.db2.gz AJKUIFRRKXDSMR-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1C ZINC001259418947 1039988187 /nfs/dbraw/zinc/98/81/87/1039988187.db2.gz ZQPHFMDFMLYMPM-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM C[C@@H]1Cc2cc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)ccc2N(C)C1=O ZINC001259419856 1039989428 /nfs/dbraw/zinc/98/94/28/1039989428.db2.gz WVTCQXBTVQCAIN-LLVKDONJSA-N -1 1 373.409 2.653 20 30 FFEDMM CC1(C)NC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc21 ZINC001259419206 1039990197 /nfs/dbraw/zinc/99/01/97/1039990197.db2.gz ODCIXIGTAJNXPV-UHFFFAOYSA-N -1 1 374.397 2.868 20 30 FFEDMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(C(C)(C)C#N)c3)cc2CC1=O ZINC001260160500 1040436116 /nfs/dbraw/zinc/43/61/16/1040436116.db2.gz WGYYVOLHPGGRNY-UHFFFAOYSA-N -1 1 369.446 2.807 20 30 FFEDMM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)cc1 ZINC001260207508 1040462500 /nfs/dbraw/zinc/46/25/00/1040462500.db2.gz WQJPSZODXJQFML-UHFFFAOYSA-N -1 1 372.780 2.847 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)OCC ZINC001213382924 1040497263 /nfs/dbraw/zinc/49/72/63/1040497263.db2.gz JDIULKYJNCBHLD-SECBINFHSA-N -1 1 358.268 2.754 20 30 FFEDMM CC[C@@H](C)S(=O)(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001260726052 1040754642 /nfs/dbraw/zinc/75/46/42/1040754642.db2.gz KQIFIVOPXDEFGP-VCBXAZPMSA-N -1 1 366.468 2.762 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1F ZINC001260798710 1040807739 /nfs/dbraw/zinc/80/77/39/1040807739.db2.gz YNSIUSYXAQIKNZ-UHFFFAOYSA-N -1 1 358.394 2.517 20 30 FFEDMM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)c1ccccc1 ZINC001261051308 1040960938 /nfs/dbraw/zinc/96/09/38/1040960938.db2.gz NRZGQEVGRUXIGY-JTQLQIEISA-N -1 1 370.839 2.731 20 30 FFEDMM CSc1nc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc(=O)[n-]1 ZINC001310452009 1043690220 /nfs/dbraw/zinc/69/02/20/1043690220.db2.gz RTRFEYLGCAJVGE-UHFFFAOYSA-N -1 1 373.438 2.885 20 30 FFEDMM N#Cc1cc(-c2ccc(CN3C(=O)NC4(CCCC4)C3=O)cn2)ccc1[O-] ZINC001242563511 1044751837 /nfs/dbraw/zinc/75/18/37/1044751837.db2.gz RUXUBQVRDJMYHW-UHFFFAOYSA-N -1 1 362.389 2.690 20 30 FFEDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c1 ZINC001323495726 1045612239 /nfs/dbraw/zinc/61/22/39/1045612239.db2.gz JAQSZEUGUVCNMY-UHFFFAOYSA-N -1 1 374.418 2.793 20 30 FFEDMM C=C[C@@H](O)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC001540368939 1070866155 /nfs/dbraw/zinc/86/61/55/1070866155.db2.gz ZSQPGZWOQLDDLM-MRXNPFEDSA-N -1 1 360.435 2.590 20 30 FFEDMM C#CCCOc1ccc(C(=O)Nc2nc(C(=O)OCC)c(Cl)[n-]2)cc1 ZINC001289091103 1047574801 /nfs/dbraw/zinc/57/48/01/1047574801.db2.gz JKTYNSBNIHTHEB-UHFFFAOYSA-N -1 1 361.785 2.894 20 30 FFEDMM C=CC[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC001332130494 1048261013 /nfs/dbraw/zinc/26/10/13/1048261013.db2.gz FFOBKIXHSDIYFK-UONOGXRCSA-N -1 1 373.375 2.637 20 30 FFEDMM COC(=O)[C@@H]1C[C@H]1c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001332258522 1048322432 /nfs/dbraw/zinc/32/24/32/1048322432.db2.gz NJDGZPNVDNCZIL-ZWKOTPCHSA-N -1 1 370.430 2.830 20 30 FFEDMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccccc1C#Cc1ccccc1 ZINC001294486715 1049755502 /nfs/dbraw/zinc/75/55/02/1049755502.db2.gz XSLMFVWOEMHDDV-UHFFFAOYSA-N -1 1 371.396 2.556 20 30 FFEDMM C#CC[C@@H]1CCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC=C)C1 ZINC001340224487 1050632829 /nfs/dbraw/zinc/63/28/29/1050632829.db2.gz SFINZYHSKJKXOQ-CQSZACIVSA-N -1 1 364.453 2.744 20 30 FFEDMM COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC001303456174 1051356932 /nfs/dbraw/zinc/35/69/32/1051356932.db2.gz IBYLCACMMDMONV-MRXNPFEDSA-N -1 1 364.357 2.524 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001342888123 1051498045 /nfs/dbraw/zinc/49/80/45/1051498045.db2.gz YPLAVIOSUXRDHA-UHFFFAOYSA-N -1 1 354.336 2.649 20 30 FFEDMM C#C[C@H]1CCCCN1C(=O)c1cc(I)ccc1[O-] ZINC001304830675 1051728258 /nfs/dbraw/zinc/72/82/58/1051728258.db2.gz SYXVUHWYANOWEA-NSHDSACASA-N -1 1 355.175 2.625 20 30 FFEDMM C=CC1CCN(c2nnc(-c3c[n-][nH]c3=O)n2Cc2cccs2)CC1 ZINC001344956789 1052161859 /nfs/dbraw/zinc/16/18/59/1052161859.db2.gz QMQCSNLMQYMHEV-UHFFFAOYSA-N -1 1 356.455 2.886 20 30 FFEDMM N#CC(=C([O-])c1ccc2c(c1)C(=O)NCCO2)c1nc(C2CC2)cs1 ZINC001344966419 1052171168 /nfs/dbraw/zinc/17/11/68/1052171168.db2.gz PVNHPZHLVWFSQQ-CYBMUJFWSA-N -1 1 353.403 2.633 20 30 FFEDMM C=C(C)Cn1c(CCC)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001343523401 1052282287 /nfs/dbraw/zinc/28/22/87/1052282287.db2.gz MPPVUZPGBKYUBX-UHFFFAOYSA-N -1 1 373.423 2.702 20 30 FFEDMM O=S1(=O)[N-]/C(=N/C[C@@H]2CCCN(c3ccccc3)C2)c2ccccc21 ZINC001344056790 1052571747 /nfs/dbraw/zinc/57/17/47/1052571747.db2.gz VLBZJFPZXLDDFC-HNNXBMFYSA-N -1 1 355.463 2.642 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001351818216 1055016567 /nfs/dbraw/zinc/01/65/67/1055016567.db2.gz DNCMSUIKZFPSMZ-OAHLLOKOSA-N -1 1 365.441 2.641 20 30 FFEDMM C=CCCCN(CC)c1nnc(-c2c[n-][nH]c2=O)n1C[C@H]1CCCCO1 ZINC001349528334 1055319708 /nfs/dbraw/zinc/31/97/08/1055319708.db2.gz SDBRMIQCXFMTSH-CQSZACIVSA-N -1 1 360.462 2.735 20 30 FFEDMM CCn1cc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)c2ccccc21 ZINC001338288599 1055389848 /nfs/dbraw/zinc/38/98/48/1055389848.db2.gz INNQXKTWPNBVOE-UHFFFAOYSA-N -1 1 353.403 2.540 20 30 FFEDMM N#CCOc1cccc(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC001352787887 1055791599 /nfs/dbraw/zinc/79/15/99/1055791599.db2.gz JUEVRKBMMZLGMO-UHFFFAOYSA-N -1 1 369.421 2.773 20 30 FFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001300178877 1056029040 /nfs/dbraw/zinc/02/90/40/1056029040.db2.gz ZVXRKYDKIMZCSF-KRWDZBQOSA-N -1 1 350.353 2.988 20 30 FFEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)cc1 ZINC001358145967 1056160924 /nfs/dbraw/zinc/16/09/24/1056160924.db2.gz JVYIAJSPBXXGDZ-UHFFFAOYSA-N -1 1 371.418 2.900 20 30 FFEDMM CSc1ncc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC001443535475 1058215111 /nfs/dbraw/zinc/21/51/11/1058215111.db2.gz ROCZBMFLUSTAPV-NSHDSACASA-N -1 1 368.340 2.918 20 30 FFEDMM CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000848109567 1059013903 /nfs/dbraw/zinc/01/39/03/1059013903.db2.gz IOQXNYWOYAUXLQ-UHFFFAOYSA-N -1 1 371.437 2.737 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)CCCOCc1ccccc1 ZINC001520433293 1059681529 /nfs/dbraw/zinc/68/15/29/1059681529.db2.gz OMAVWFUAKTYNCD-UHFFFAOYSA-N -1 1 368.441 2.603 20 30 FFEDMM C=CC[C@@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2C[C@H]2CCCCO2)C1 ZINC001516738484 1060212246 /nfs/dbraw/zinc/21/22/46/1060212246.db2.gz DRVAWDKHKVPCTH-HUUCEWRRSA-N -1 1 372.473 2.735 20 30 FFEDMM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC001475489150 1061112248 /nfs/dbraw/zinc/11/22/48/1061112248.db2.gz NESDRNHGZDONGK-GHMZBOCLSA-N -1 1 351.394 2.852 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC001475572974 1061144505 /nfs/dbraw/zinc/14/45/05/1061144505.db2.gz WONCFPSEKPKDDY-KRWDZBQOSA-N -1 1 373.478 2.874 20 30 FFEDMM Cc1nn(C2CCOCC2)c(C)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001526587261 1061177291 /nfs/dbraw/zinc/17/72/91/1061177291.db2.gz MMQZPZBEVMMVMU-ZDUSSCGKSA-N -1 1 361.833 2.728 20 30 FFEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001528878200 1062074170 /nfs/dbraw/zinc/07/41/70/1062074170.db2.gz HMVBZOMNDOERHG-ZDUSSCGKSA-N -1 1 366.450 2.689 20 30 FFEDMM C#CCSCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001464161335 1062457021 /nfs/dbraw/zinc/45/70/21/1062457021.db2.gz SUUGPDXSNQCERI-UHFFFAOYSA-N -1 1 360.460 2.792 20 30 FFEDMM COc1cnc(C2(NC(=O)Nc3cccc(C#N)c3)CCCC2)[n-]c1=O ZINC001465140002 1062986319 /nfs/dbraw/zinc/98/63/19/1062986319.db2.gz VFSAOSYBERMIRK-UHFFFAOYSA-N -1 1 353.382 2.653 20 30 FFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 ZINC001585236412 1079442474 /nfs/dbraw/zinc/44/24/74/1079442474.db2.gz FTPDVAAEUKWBMX-UHFFFAOYSA-N -1 1 365.437 2.901 20 30 FFEDMM CSc1ccc([O-])c(C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 ZINC001556904862 1075787843 /nfs/dbraw/zinc/78/78/43/1075787843.db2.gz BWCMFNFCGRSSBI-UHFFFAOYSA-N -1 1 351.391 2.819 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C=CCC2)cc1Br ZINC001561872818 1076437358 /nfs/dbraw/zinc/43/73/58/1076437358.db2.gz IGOAZRIWOTVNIB-SECBINFHSA-N -1 1 359.220 2.704 20 30 FFEDMM C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([O-])c(F)c3F)cc2C1=O ZINC001569010728 1077123024 /nfs/dbraw/zinc/12/30/24/1077123024.db2.gz LBFYLQWIZUHUII-UHFFFAOYSA-N -1 1 358.300 2.705 20 30 FFEDMM C=CCN(Cc1ccccc1)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001573340987 1077675405 /nfs/dbraw/zinc/67/54/05/1077675405.db2.gz DBRGKKOUTLZJOO-UHFFFAOYSA-N -1 1 355.348 2.973 20 30 FFEDMM C=CCN(Cc1ccccc1)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001573340987 1077675408 /nfs/dbraw/zinc/67/54/08/1077675408.db2.gz DBRGKKOUTLZJOO-UHFFFAOYSA-N -1 1 355.348 2.973 20 30 FFEDMM CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nn[n-]n1 ZINC001586262451 1079586339 /nfs/dbraw/zinc/58/63/39/1079586339.db2.gz SCVFRRSDWWGIHZ-UHFFFAOYSA-N -1 1 354.757 2.794 20 30 FFEDMM C#CCOc1cccc([C@H](C)OC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001588361595 1079993533 /nfs/dbraw/zinc/99/35/33/1079993533.db2.gz BXRXJBASRLADAI-LBPRGKRZSA-N -1 1 366.352 2.936 20 30 FFEDMM C#CCOc1cccc([C@H](C)OC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001588361595 1079993540 /nfs/dbraw/zinc/99/35/40/1079993540.db2.gz BXRXJBASRLADAI-LBPRGKRZSA-N -1 1 366.352 2.936 20 30 FFEDMM C=C(C)Cn1c(-c2ccnc(-c3nnn[n-]3)c2)nnc1N(C)C[C@@H](C)CC ZINC001588435829 1080027246 /nfs/dbraw/zinc/02/72/46/1080027246.db2.gz BXQKXBNYDKOHEI-ZDUSSCGKSA-N -1 1 367.461 2.579 20 30 FFEDMM C=C(C)Cn1c(-c2ccnc(-c3nn[n-]n3)c2)nnc1N(C)C[C@@H](C)CC ZINC001588435829 1080027255 /nfs/dbraw/zinc/02/72/55/1080027255.db2.gz BXQKXBNYDKOHEI-ZDUSSCGKSA-N -1 1 367.461 2.579 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@H](C)C[C@@H]1C ZINC001588438210 1080029170 /nfs/dbraw/zinc/02/91/70/1080029170.db2.gz NMCYCZIWSXDSPS-NEPJUHHUSA-N -1 1 354.418 2.529 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@H](C)C[C@@H]1C ZINC001588438210 1080029179 /nfs/dbraw/zinc/02/91/79/1080029179.db2.gz NMCYCZIWSXDSPS-NEPJUHHUSA-N -1 1 354.418 2.529 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588464489 1080037640 /nfs/dbraw/zinc/03/76/40/1080037640.db2.gz UYQUPJLFMQPWSI-CRAIPNDOSA-N -1 1 372.490 2.937 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001588612794 1080121968 /nfs/dbraw/zinc/12/19/68/1080121968.db2.gz XAQVANLEZVYHPJ-CALCHBBNSA-N -1 1 374.481 2.675 20 30 FFEDMM C=CCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588653633 1080143776 /nfs/dbraw/zinc/14/37/76/1080143776.db2.gz QVTIKAVTAZJXPI-UHFFFAOYSA-N -1 1 354.439 2.826 20 30 FFEDMM C=CC[S@@](=O)(=NC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1 ZINC001588688783 1080154984 /nfs/dbraw/zinc/15/49/84/1080154984.db2.gz QPAYZULRZLJYQV-DEOSSOPVSA-N -1 1 359.436 2.782 20 30 FFEDMM C=CC[S@@](=O)(=NC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1 ZINC001588688783 1080154989 /nfs/dbraw/zinc/15/49/89/1080154989.db2.gz QPAYZULRZLJYQV-DEOSSOPVSA-N -1 1 359.436 2.782 20 30 FFEDMM C=CC[S@@](=O)(=NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccccc1 ZINC001588689082 1080156127 /nfs/dbraw/zinc/15/61/27/1080156127.db2.gz YAPDPUKHTBTEIC-VWLOTQADSA-N -1 1 357.395 2.621 20 30 FFEDMM C=CC[S@@](=O)(=NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccccc1 ZINC001588689082 1080156133 /nfs/dbraw/zinc/15/61/33/1080156133.db2.gz YAPDPUKHTBTEIC-VWLOTQADSA-N -1 1 357.395 2.621 20 30 FFEDMM C=CCCC[C@H](NC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC001588797309 1080200943 /nfs/dbraw/zinc/20/09/43/1080200943.db2.gz CAIRGVLPOWPYOL-LBPRGKRZSA-N -1 1 366.215 2.865 20 30 FFEDMM CC(=Cc1cc(C)c(OCC(=O)[O-])c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC001588995374 1080297897 /nfs/dbraw/zinc/29/78/97/1080297897.db2.gz HZTBUTYXLPBOLF-KPKJPENVSA-N -1 1 353.378 2.591 20 30 FFEDMM CC(C)[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccccc1Cl ZINC001589476234 1080552589 /nfs/dbraw/zinc/55/25/89/1080552589.db2.gz PGMYRAAWQHVSKQ-CQSZACIVSA-N -1 1 354.805 2.991 20 30 FFEDMM C[C@@H](c1cccc(C#N)c1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590049870 1080978571 /nfs/dbraw/zinc/97/85/71/1080978571.db2.gz QPZUTDFNNKOYAV-VIFPVBQESA-N -1 1 355.383 2.905 20 30 FFEDMM C[C@@H](c1cccc(C#N)c1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590049870 1080978574 /nfs/dbraw/zinc/97/85/74/1080978574.db2.gz QPZUTDFNNKOYAV-VIFPVBQESA-N -1 1 355.383 2.905 20 30 FFEDMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590051696 1080981044 /nfs/dbraw/zinc/98/10/44/1080981044.db2.gz YOJYIXLSUDRRIA-JTQLQIEISA-N -1 1 368.347 2.850 20 30 FFEDMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590051696 1080981047 /nfs/dbraw/zinc/98/10/47/1080981047.db2.gz YOJYIXLSUDRRIA-JTQLQIEISA-N -1 1 368.347 2.850 20 30 FFEDMM C=CCSCCNC(=O)c1ccc(I)c([O-])c1 ZINC000230890929 509439359 /nfs/dbraw/zinc/43/93/59/509439359.db2.gz YWLZIZDKAFGGLR-UHFFFAOYSA-N -1 1 363.220 2.646 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2ccn(C)c3=O)ccc1C#N ZINC000410322085 512238889 /nfs/dbraw/zinc/23/88/89/512238889.db2.gz SUNDAPLIRYALFQ-UHFFFAOYSA-N -1 1 353.403 2.519 20 30 FFEDMM C=CCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000066305522 506475651 /nfs/dbraw/zinc/47/56/51/506475651.db2.gz LTFRZBMLQXHOAE-UHFFFAOYSA-N -1 1 368.377 2.547 20 30 FFEDMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2o1 ZINC000055610339 506797358 /nfs/dbraw/zinc/79/73/58/506797358.db2.gz FHPGIYCSPZISLE-UHFFFAOYSA-N -1 1 356.359 2.892 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc2C[C@@H]1C ZINC000069147919 507420377 /nfs/dbraw/zinc/42/03/77/507420377.db2.gz XHCCEMQIGRHFGJ-ZDUSSCGKSA-N -1 1 369.446 2.965 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1Cl ZINC000110095227 508007447 /nfs/dbraw/zinc/00/74/47/508007447.db2.gz GKBQARXQLCQMAC-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM C=CCOc1ccccc1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000110423596 508027335 /nfs/dbraw/zinc/02/73/35/508027335.db2.gz FSMMVOQGKFICDF-UHFFFAOYSA-N -1 1 373.478 2.614 20 30 FFEDMM C=CC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)CC1 ZINC000110968246 508061390 /nfs/dbraw/zinc/06/13/90/508061390.db2.gz RLOKDGOABLNBAA-UHFFFAOYSA-N -1 1 371.462 2.921 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC(C)C)cc1 ZINC000076936301 508263760 /nfs/dbraw/zinc/26/37/60/508263760.db2.gz AILFRPQAHIEJCP-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccco1 ZINC000103159135 508299839 /nfs/dbraw/zinc/29/98/39/508299839.db2.gz XNHLRHODWIUTDX-INIZCTEOSA-N -1 1 366.414 2.983 20 30 FFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000157555338 508580398 /nfs/dbraw/zinc/58/03/98/508580398.db2.gz GBBBLHFVCRYMIW-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM N#Cc1ccc(C(=O)NCCCOCCOCc2ccccc2)cc1[O-] ZINC000189197626 509459450 /nfs/dbraw/zinc/45/94/50/509459450.db2.gz YOBPGXMTSKBTQP-UHFFFAOYSA-N -1 1 354.406 2.617 20 30 FFEDMM C=C(C)[C@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1ccc(F)c(F)c1 ZINC000186040527 509496078 /nfs/dbraw/zinc/49/60/78/509496078.db2.gz XRNIBGLIIUBOHI-HNNXBMFYSA-N -1 1 370.377 2.513 20 30 FFEDMM COc1ccccc1N1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000187691654 510390826 /nfs/dbraw/zinc/39/08/26/510390826.db2.gz UYEQXWWXHJHJCG-UHFFFAOYSA-N -1 1 351.406 2.671 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)C#N)cc2)cc1C ZINC000171848354 510406519 /nfs/dbraw/zinc/40/65/19/510406519.db2.gz APVAPVDJQSYBQY-CYBMUJFWSA-N -1 1 371.462 2.994 20 30 FFEDMM C#CCn1ccc(CN(CC)C(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000279239176 511021427 /nfs/dbraw/zinc/02/14/27/511021427.db2.gz ZXVFUEYFYIWADD-UHFFFAOYSA-N -1 1 351.328 2.903 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(N(C)C)cc2C(F)(F)F)c(=O)o1 ZINC000279990260 511292742 /nfs/dbraw/zinc/29/27/42/511292742.db2.gz GMYFTRIJCPHLSY-YERXGYGTSA-N -1 1 367.323 3.000 20 30 FFEDMM O=C(CN1CCC(c2n[nH]c(=O)[n-]2)CC1)N[C@H]1CCCc2ccccc21 ZINC000329610750 512076608 /nfs/dbraw/zinc/07/66/08/512076608.db2.gz CCAXDTGFTOPOOQ-INIZCTEOSA-N -1 1 355.442 2.724 20 30 FFEDMM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372157722 512738779 /nfs/dbraw/zinc/73/87/79/512738779.db2.gz UQMMETKTZMNKHJ-HNNXBMFYSA-N -1 1 358.405 2.758 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2ccc(=O)n(C)c2c1 ZINC000447278570 513434715 /nfs/dbraw/zinc/43/47/15/513434715.db2.gz NNYIRIRMWQTSOQ-UHFFFAOYSA-N -1 1 353.403 2.519 20 30 FFEDMM COc1cccc(C2(NC(=O)c3ccc(C#N)c([O-])c3)CCOCC2)c1F ZINC000447293767 513439616 /nfs/dbraw/zinc/43/96/16/513439616.db2.gz XUUOCJDAPQZMFW-UHFFFAOYSA-N -1 1 370.380 2.847 20 30 FFEDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000436172719 513782265 /nfs/dbraw/zinc/78/22/65/513782265.db2.gz ALJDTBQWOGYCIN-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM Cn1ccnc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000442903702 513810159 /nfs/dbraw/zinc/81/01/59/513810159.db2.gz TZHINIUTCYBUER-QGZVFWFLSA-N -1 1 350.353 2.656 20 30 FFEDMM COC(=O)CC[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000416646089 513885940 /nfs/dbraw/zinc/88/59/40/513885940.db2.gz KLDUCMPCCZWTJN-AWEZNQCLSA-N -1 1 368.455 2.722 20 30 FFEDMM CC1(C#N)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436595283 513910426 /nfs/dbraw/zinc/91/04/26/513910426.db2.gz LAWPEPGTEAUXNP-KRWDZBQOSA-N -1 1 363.417 2.522 20 30 FFEDMM COC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000451808676 513994066 /nfs/dbraw/zinc/99/40/66/513994066.db2.gz KMFFWNNNXKTPTJ-GFCCVEGCSA-N -1 1 354.815 2.513 20 30 FFEDMM COc1cc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc(Cl)c1[O-] ZINC000426798461 514044140 /nfs/dbraw/zinc/04/41/40/514044140.db2.gz FEACHHKITGSRSZ-UHFFFAOYSA-N -1 1 369.768 2.759 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1F ZINC000427264728 514166714 /nfs/dbraw/zinc/16/67/14/514166714.db2.gz IHAACHOEILFNRO-HNNXBMFYSA-N -1 1 362.382 2.666 20 30 FFEDMM Cc1cn(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)c(=O)[nH]1 ZINC000427286709 514172148 /nfs/dbraw/zinc/17/21/48/514172148.db2.gz BNEJHDYHPHKQJI-UHFFFAOYSA-N -1 1 372.381 2.698 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(COCC)cc2)c1 ZINC000438721572 514430934 /nfs/dbraw/zinc/43/09/34/514430934.db2.gz JWBOIPQRLCYSGJ-UHFFFAOYSA-N -1 1 374.462 2.940 20 30 FFEDMM C=C[C@H](CCC(=O)[O-])NCc1ccc(F)cc1I ZINC000417615845 514438901 /nfs/dbraw/zinc/43/89/01/514438901.db2.gz XUGIJMFLXJNPNT-LLVKDONJSA-N -1 1 363.170 2.939 20 30 FFEDMM C=C[C@H](CCC(=O)[O-])NCc1c(Br)cc(OC)cc1OC ZINC000417622600 514440099 /nfs/dbraw/zinc/44/00/99/514440099.db2.gz HQBFHBKXAMNKTN-SNVBAGLBSA-N -1 1 358.232 2.975 20 30 FFEDMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)ccc1[O-] ZINC000480725997 515059866 /nfs/dbraw/zinc/05/98/66/515059866.db2.gz KTGQISCEPDMGBC-UHFFFAOYSA-N -1 1 365.798 2.676 20 30 FFEDMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000499182024 515227713 /nfs/dbraw/zinc/22/77/13/515227713.db2.gz ZZWNWSNAGMLXRM-UHFFFAOYSA-N -1 1 367.386 2.694 20 30 FFEDMM C=CCC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)OCC ZINC000456601957 515279126 /nfs/dbraw/zinc/27/91/26/515279126.db2.gz GTAHXUOPXNBWRY-GFCCVEGCSA-N -1 1 356.216 2.782 20 30 FFEDMM Cc1c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cnn1-c1ccccn1 ZINC000486524232 515522949 /nfs/dbraw/zinc/52/29/49/515522949.db2.gz BNJIWHZYBACHJF-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM CC[C@]([N-]S(=O)(=O)c1cccc(C)c1C#N)(C(=O)OC)c1ccccc1 ZINC000510487607 515554350 /nfs/dbraw/zinc/55/43/50/515554350.db2.gz BLBJDVBGPUJDTF-LJQANCHMSA-N -1 1 372.446 2.624 20 30 FFEDMM C=C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000465145132 516077257 /nfs/dbraw/zinc/07/72/57/516077257.db2.gz HLJXMCPROLWQDQ-CYBMUJFWSA-N -1 1 360.435 2.800 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2csc(CCc3ccccc3)n2)o1 ZINC000561469662 516602391 /nfs/dbraw/zinc/60/23/91/516602391.db2.gz MPLFWAGLEXANKY-UHFFFAOYSA-N -1 1 373.459 2.871 20 30 FFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000561616406 516682878 /nfs/dbraw/zinc/68/28/78/516682878.db2.gz QPEHDUURVWSRKN-UHFFFAOYSA-N -1 1 359.386 2.691 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1nc(-c2cccc(F)c2)no1 ZINC000555353987 516897442 /nfs/dbraw/zinc/89/74/42/516897442.db2.gz HEJJVXOBZAFJCT-LLVKDONJSA-N -1 1 364.402 2.550 20 30 FFEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc2)CC1 ZINC000537348750 517151856 /nfs/dbraw/zinc/15/18/56/517151856.db2.gz YHMZDHWDDCFYOT-UHFFFAOYSA-N -1 1 370.430 2.872 20 30 FFEDMM CCCN(CCC)S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2F)n1 ZINC000515396521 517334382 /nfs/dbraw/zinc/33/43/82/517334382.db2.gz ONOKLNMVTKEHMQ-UHFFFAOYSA-N -1 1 365.434 2.662 20 30 FFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(F)c1 ZINC000516226403 517627241 /nfs/dbraw/zinc/62/72/41/517627241.db2.gz OGAZIFQNAHEPEF-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000527364030 517661982 /nfs/dbraw/zinc/66/19/82/517661982.db2.gz SCJNLBQXYRXVDH-UHFFFAOYSA-N -1 1 355.369 2.918 20 30 FFEDMM N#CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000516330583 517663420 /nfs/dbraw/zinc/66/34/20/517663420.db2.gz VZIFUNNQUDBUDL-UHFFFAOYSA-N -1 1 373.409 2.755 20 30 FFEDMM CCC[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000560444189 517808649 /nfs/dbraw/zinc/80/86/49/517808649.db2.gz LTBCHCRBCOJGPL-VIFPVBQESA-N -1 1 365.238 2.751 20 30 FFEDMM CCc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1Br ZINC000576247503 518502610 /nfs/dbraw/zinc/50/26/10/518502610.db2.gz AIGXWNWCAUEGMF-NWDGAFQWSA-N -1 1 359.227 2.770 20 30 FFEDMM N#CC(=C([O-])c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccncn1 ZINC000567601912 518607827 /nfs/dbraw/zinc/60/78/27/518607827.db2.gz IYHWYCALFWWDAR-OAHLLOKOSA-N -1 1 364.792 2.830 20 30 FFEDMM COC(=O)CCCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589179708 518942240 /nfs/dbraw/zinc/94/22/40/518942240.db2.gz FYHKEYPXAHANSW-UHFFFAOYSA-N -1 1 354.362 2.848 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(C#N)C3)c2)c1 ZINC000590487032 519245942 /nfs/dbraw/zinc/24/59/42/519245942.db2.gz WGQDXPXGEZHEAU-UHFFFAOYSA-N -1 1 369.446 2.700 20 30 FFEDMM C[C@H]1[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000581271526 519607713 /nfs/dbraw/zinc/60/77/13/519607713.db2.gz CZXRADQYMANYFU-KBXCAEBGSA-N -1 1 373.453 2.639 20 30 FFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c1F ZINC000594465154 519978755 /nfs/dbraw/zinc/97/87/55/519978755.db2.gz WVKLLRQGKVKPPC-ONGXEEELSA-N -1 1 374.821 2.626 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)c1C#N ZINC000594490392 520000409 /nfs/dbraw/zinc/00/04/09/520000409.db2.gz TZZFCLINIQIDIZ-SMDDNHRTSA-N -1 1 362.373 2.645 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N(CCC#N)CC(C)(C)C)c(=O)[n-]1 ZINC000609191493 520224985 /nfs/dbraw/zinc/22/49/85/520224985.db2.gz JAGRITMMKOTKOU-UHFFFAOYSA-N -1 1 350.488 2.934 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603835297 520372780 /nfs/dbraw/zinc/37/27/80/520372780.db2.gz ZJNXBAIRYDBCRC-LLVKDONJSA-N -1 1 364.317 2.700 20 30 FFEDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1F ZINC000600667780 520385537 /nfs/dbraw/zinc/38/55/37/520385537.db2.gz HUAGYWKPWHNWBV-QLJPJBMISA-N -1 1 372.393 2.502 20 30 FFEDMM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000595353652 520422932 /nfs/dbraw/zinc/42/29/32/520422932.db2.gz KNAQWSFWBSSARY-HOTGVXAUSA-N -1 1 350.465 2.656 20 30 FFEDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000593198279 520820246 /nfs/dbraw/zinc/82/02/46/520820246.db2.gz JMRZULAXDKKAKA-UHFFFAOYSA-N -1 1 371.462 2.957 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(N3CCCCCC3)nc2)c1 ZINC000614296768 520895106 /nfs/dbraw/zinc/89/51/06/520895106.db2.gz SEUMEOBUWVWTLV-UHFFFAOYSA-N -1 1 350.422 2.969 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000614293377 520895324 /nfs/dbraw/zinc/89/53/24/520895324.db2.gz CLNALDUNYSLCDH-UHFFFAOYSA-N -1 1 353.397 2.751 20 30 FFEDMM COC(=O)[C@@H]1C[C@H]1c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000601976619 521052801 /nfs/dbraw/zinc/05/28/01/521052801.db2.gz AJEYDVWGQQRCNU-ZWKOTPCHSA-N -1 1 370.430 2.830 20 30 FFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CC ZINC000601979644 521055138 /nfs/dbraw/zinc/05/51/38/521055138.db2.gz RDKABJMSAXILDP-CYBMUJFWSA-N -1 1 365.455 2.502 20 30 FFEDMM CCc1[n-][nH]c(=NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1Br ZINC000594304161 521548698 /nfs/dbraw/zinc/54/86/98/521548698.db2.gz CPTJXHZCOVMXIX-SNVBAGLBSA-N -1 1 361.243 2.845 20 30 FFEDMM COCCCOc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619463169 521581339 /nfs/dbraw/zinc/58/13/39/521581339.db2.gz NMHQNKTZFOYZCD-UHFFFAOYSA-N -1 1 360.435 2.969 20 30 FFEDMM N#Cc1ccc(-n2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)c(Cl)c1 ZINC000542070454 562626411 /nfs/dbraw/zinc/62/64/11/562626411.db2.gz TZJDTKSLFINWJR-UHFFFAOYSA-N -1 1 356.729 2.886 20 30 FFEDMM C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc2C1 ZINC000736280204 598979736 /nfs/dbraw/zinc/97/97/36/598979736.db2.gz OKSAWFYIASAJJY-VIFPVBQESA-N -1 1 365.422 2.572 20 30 FFEDMM C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc2C1 ZINC000736280204 598979738 /nfs/dbraw/zinc/97/97/38/598979738.db2.gz OKSAWFYIASAJJY-VIFPVBQESA-N -1 1 365.422 2.572 20 30 FFEDMM C=CCOc1ccc(CN=Nc2oc(C)nc2-c2nn[n-]n2)cc1Cl ZINC000735436520 598437459 /nfs/dbraw/zinc/43/74/59/598437459.db2.gz LXJSKBXORCMSHX-UHFFFAOYSA-N -1 1 359.777 2.827 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)cc2O)o1 ZINC000735451219 598512322 /nfs/dbraw/zinc/51/23/22/598512322.db2.gz UNQITIZHQXACIR-UHFFFAOYSA-N -1 1 359.365 2.734 20 30 FFEDMM Cc1cc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)ccc1O ZINC000735451070 598606906 /nfs/dbraw/zinc/60/69/06/598606906.db2.gz NZVHOKXCBSRBQP-UHFFFAOYSA-N -1 1 355.402 2.903 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2[C@H]3CCCO[C@@H]3C2(C)C)o1 ZINC000820107897 599336403 /nfs/dbraw/zinc/33/64/03/599336403.db2.gz DAUFGHUESYBEKB-YGRLFVJLSA-N -1 1 359.434 2.656 20 30 FFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000736090084 600900636 /nfs/dbraw/zinc/90/06/36/600900636.db2.gz UIOYFYPTCAEKEO-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000833074301 601313127 /nfs/dbraw/zinc/31/31/27/601313127.db2.gz UPISLDYPEWETBL-KRWDZBQOSA-N -1 1 369.446 2.594 20 30 FFEDMM CCC1CCC(NCC(=O)N(CCC#N)c2ccccc2)(C(=O)[O-])CC1 ZINC000829101188 601495798 /nfs/dbraw/zinc/49/57/98/601495798.db2.gz ISBZISFLRWDKKI-UHFFFAOYSA-N -1 1 357.454 2.946 20 30 FFEDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000825272463 604018405 /nfs/dbraw/zinc/01/84/05/604018405.db2.gz LEVPIFWFMYVFRA-PBHICJAKSA-N -1 1 353.426 2.747 20 30 FFEDMM N#Cc1ccc2ncc(CN3CCCC[C@H]3[C@@H]3CCCN3C(=O)[O-])n2c1 ZINC000833977060 605558956 /nfs/dbraw/zinc/55/89/56/605558956.db2.gz NJNCTXZHROWTNY-IRXDYDNUSA-N -1 1 353.426 2.703 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](CNC(=O)[O-])C[C@@H]1C ZINC000833788300 605891891 /nfs/dbraw/zinc/89/18/91/605891891.db2.gz UHFUJELHPHQHSM-SOUVJXGZSA-N -1 1 365.499 2.629 20 30 FFEDMM Cc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822345485 606369210 /nfs/dbraw/zinc/36/92/10/606369210.db2.gz KCGCOUKKSOXSPK-UHFFFAOYSA-N -1 1 368.451 2.666 20 30 FFEDMM CC(=NNC(=S)N[C@H]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823954061 608092178 /nfs/dbraw/zinc/09/21/78/608092178.db2.gz XEVLRLUZFLLOKD-ONGXEEELSA-N -1 1 363.516 2.695 20 30 FFEDMM COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826181344 608092710 /nfs/dbraw/zinc/09/27/10/608092710.db2.gz VQUGCRRWXFLUAM-SNAWJCMRSA-N -1 1 372.406 2.850 20 30 FFEDMM COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826181344 608092711 /nfs/dbraw/zinc/09/27/11/608092711.db2.gz VQUGCRRWXFLUAM-SNAWJCMRSA-N -1 1 372.406 2.850 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000823962493 609447569 /nfs/dbraw/zinc/44/75/69/609447569.db2.gz KTOXGXBJUDVSBC-UHFFFAOYSA-N -1 1 362.737 2.561 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000746492432 735488229 /nfs/dbraw/zinc/48/82/29/735488229.db2.gz WANLVSPCSNATHJ-UHFFFAOYSA-N -1 1 369.349 2.717 20 30 FFEDMM C=CCn1c(Cc2csc(NC(=O)c3cscn3)n2)n[n-]c1=S ZINC000103187687 728495101 /nfs/dbraw/zinc/49/51/01/728495101.db2.gz IPGSNQQQROBNFR-UHFFFAOYSA-N -1 1 364.481 2.883 20 30 FFEDMM CCCCOCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000118598960 728583442 /nfs/dbraw/zinc/58/34/42/728583442.db2.gz RAYQCJNNEYNIGH-LBPRGKRZSA-N -1 1 359.451 2.856 20 30 FFEDMM C#CCSCCNC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000130443870 728717997 /nfs/dbraw/zinc/71/79/97/728717997.db2.gz RARMNTWHNNMACV-UHFFFAOYSA-N -1 1 360.508 2.789 20 30 FFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000134604803 728731402 /nfs/dbraw/zinc/73/14/02/728731402.db2.gz JZAREEQRYDOZHE-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM CC[C@@H](C)OCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000152076960 728747769 /nfs/dbraw/zinc/74/77/69/728747769.db2.gz SFVIXPPNHABEER-PWSUYJOCSA-N -1 1 359.451 2.855 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000185321399 729346699 /nfs/dbraw/zinc/34/66/99/729346699.db2.gz LTSIXKOWXKRUDR-OAHLLOKOSA-N -1 1 356.447 2.856 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(F)ccc2Br)c(=O)o1 ZINC000255355927 729637534 /nfs/dbraw/zinc/63/75/34/729637534.db2.gz KRWKQHNTTOYSIJ-DQWBNOTDSA-N -1 1 353.143 2.816 20 30 FFEDMM C=C(C)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1 ZINC000504299135 729924429 /nfs/dbraw/zinc/92/44/29/729924429.db2.gz LQWYEXNDYUIXPB-UHFFFAOYSA-N -1 1 364.423 2.962 20 30 FFEDMM CC[C@@H](O)CNN=C(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863111405 730750799 /nfs/dbraw/zinc/75/07/99/730750799.db2.gz AEHCPRSTBSSUAP-QGZVFWFLSA-N -1 1 361.467 2.572 20 30 FFEDMM C[C@H](Nc1ccc(OCCS(C)(=O)=O)cc1)c1cccc(C#N)c1[O-] ZINC000866385097 731054249 /nfs/dbraw/zinc/05/42/49/731054249.db2.gz ICYZKAKXKHCGJE-ZDUSSCGKSA-N -1 1 360.435 2.860 20 30 FFEDMM CC[C@H](C#N)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315351 731618539 /nfs/dbraw/zinc/61/85/39/731618539.db2.gz BPJZEBKQKXCHCL-NEPJUHHUSA-N -1 1 353.344 2.735 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2sccc2Br)CCOCC1 ZINC000657128113 731733443 /nfs/dbraw/zinc/73/34/43/731733443.db2.gz RYSQYYHYTPEFRY-UHFFFAOYSA-N -1 1 366.302 2.914 20 30 FFEDMM C#CCC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCOCC1 ZINC000885840484 733716700 /nfs/dbraw/zinc/71/67/00/733716700.db2.gz CKXDNKVJAYTGAB-UHFFFAOYSA-N -1 1 366.241 2.983 20 30 FFEDMM C#CCSCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000892424469 734557741 /nfs/dbraw/zinc/55/77/41/734557741.db2.gz OQSAEJQRMNTYNB-LLVKDONJSA-N -1 1 357.460 2.818 20 30 FFEDMM N#C[C@H](C(=O)C[C@@H]1CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000740527854 735077422 /nfs/dbraw/zinc/07/74/22/735077422.db2.gz LPHHQMBSDWJWNE-CMPLNLGQSA-N -1 1 357.435 2.879 20 30 FFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740811441 735089455 /nfs/dbraw/zinc/08/94/55/735089455.db2.gz HQVZOEIFZWMDSY-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@]2(C#N)CCSC2)c([O-])c1 ZINC000740923863 735099225 /nfs/dbraw/zinc/09/92/25/735099225.db2.gz LZFPIEKJOSLFPL-QGZVFWFLSA-N -1 1 363.439 2.868 20 30 FFEDMM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1c(C)ccc(F)c1[O-] ZINC000901164676 735751933 /nfs/dbraw/zinc/75/19/33/735751933.db2.gz APIWSQMENKLUAW-UHFFFAOYSA-N -1 1 350.419 2.693 20 30 FFEDMM [O-]c1c(O)cc(C=NNC(=S)NC2CCCCC2)cc1Br ZINC000757561621 736409905 /nfs/dbraw/zinc/40/99/05/736409905.db2.gz XSCPNUWRBWKKGN-UHFFFAOYSA-N -1 1 372.288 2.991 20 30 FFEDMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000766546408 737240159 /nfs/dbraw/zinc/24/01/59/737240159.db2.gz ASQGLUVEQBNJPC-UHFFFAOYSA-N -1 1 359.407 2.524 20 30 FFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000770390241 737621748 /nfs/dbraw/zinc/62/17/48/737621748.db2.gz HNWHEFVNUOSWLZ-QMMMGPOBSA-N -1 1 352.200 2.808 20 30 FFEDMM COc1c([O-])c(C=NNC(=S)N[C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000773028675 737864842 /nfs/dbraw/zinc/86/48/42/737864842.db2.gz PPKQAEJVHMQCOL-ZYHUDNBSSA-N -1 1 366.443 2.686 20 30 FFEDMM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(O)c(Cl)c2)n1 ZINC000921249772 737955459 /nfs/dbraw/zinc/95/54/59/737955459.db2.gz DRBIBEAJOIIMPN-JTQLQIEISA-N -1 1 350.783 2.844 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c(F)cc1F ZINC000775170808 738069356 /nfs/dbraw/zinc/06/93/56/738069356.db2.gz FMJSBVPFZHYXNU-HWPZZCPQSA-N -1 1 372.393 2.502 20 30 FFEDMM O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)c([O-])c1 ZINC000922238620 738110602 /nfs/dbraw/zinc/11/06/02/738110602.db2.gz HBFQQBSZNDKZGK-MRVPVSSYSA-N -1 1 367.192 2.699 20 30 FFEDMM N#Cc1c(NCc2cc(Cl)cc(Cl)c2[O-])n[nH]c1N1CCOCC1 ZINC000922359488 738128076 /nfs/dbraw/zinc/12/80/76/738128076.db2.gz ABHLPRXBXNELMM-UHFFFAOYSA-N -1 1 368.224 2.742 20 30 FFEDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1 ZINC000777608219 738305084 /nfs/dbraw/zinc/30/50/84/738305084.db2.gz PKZJITCBVDGTRD-UHFFFAOYSA-N -1 1 361.379 2.568 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(F)cccc2OC(F)(F)F)c(=O)o1 ZINC000789128974 739318111 /nfs/dbraw/zinc/31/81/11/739318111.db2.gz XETMSJBQFLCUBM-GEXIGZQTSA-N -1 1 358.243 2.953 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000797842323 740279541 /nfs/dbraw/zinc/27/95/41/740279541.db2.gz YMUQOIGJGKHOAW-ONGXEEELSA-N -1 1 351.255 2.648 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000797842116 740279705 /nfs/dbraw/zinc/27/97/05/740279705.db2.gz VQLAVAVKDZASDK-HZMBPMFUSA-N -1 1 360.819 2.508 20 30 FFEDMM CC#CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000801107916 740585358 /nfs/dbraw/zinc/58/53/58/740585358.db2.gz YFSGEJLPPBAEPB-UHFFFAOYSA-N -1 1 350.346 2.727 20 30 FFEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000836616971 746268068 /nfs/dbraw/zinc/26/80/68/746268068.db2.gz ZFBLMPOGHAVNSU-OLZOCXBDSA-N -1 1 355.232 2.688 20 30 FFEDMM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001275957866 1013229432 /nfs/dbraw/zinc/22/94/32/1013229432.db2.gz XUFPFTQNOCFTMO-LJQANCHMSA-N -1 1 363.408 2.931 20 30 FFEDMM CCOC(Cc1c(=O)[n-]c(=S)[nH]c1NC1=CC(=O)C[C@H](C)C1)OCC ZINC001210770045 962290049 /nfs/dbraw/zinc/29/00/49/962290049.db2.gz YBKBVMOUFLNPNF-SNVBAGLBSA-N -1 1 367.471 2.707 20 30 FFEDMM C=CC[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3C)C2=O)C1 ZINC000656479620 963650029 /nfs/dbraw/zinc/65/00/29/963650029.db2.gz VMJRZXCVQCQUMQ-YOEHRIQHSA-N -1 1 356.422 2.613 20 30 FFEDMM COCc1cccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000049393294 975093259 /nfs/dbraw/zinc/09/32/59/975093259.db2.gz ZWMAACCOBBUDGB-MRXNPFEDSA-N -1 1 374.404 2.834 20 30 FFEDMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@@H](C)C#N ZINC001167876153 977136828 /nfs/dbraw/zinc/13/68/28/977136828.db2.gz HMOWGCFICRGKKF-AWEZNQCLSA-N -1 1 357.435 2.862 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@](C)(CCF)C(=O)[O-] ZINC001592225949 977414918 /nfs/dbraw/zinc/41/49/18/977414918.db2.gz QHEGQGLTSPPOAN-YVEFUNNKSA-N -1 1 367.446 2.812 20 30 FFEDMM C=CCn1c(N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)nnc1C(C)(C)C ZINC000908639891 981483493 /nfs/dbraw/zinc/48/34/93/981483493.db2.gz LAJWVVNTDBRZTG-LBPRGKRZSA-N -1 1 358.446 2.607 20 30 FFEDMM C#CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000764513198 984540784 /nfs/dbraw/zinc/54/07/84/984540784.db2.gz GJCUOYSAWAQROE-GOSISDBHSA-N -1 1 350.418 2.632 20 30 FFEDMM N#Cc1ccccc1NC1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC001168615071 985994476 /nfs/dbraw/zinc/99/44/76/985994476.db2.gz YYVDUDPKAZNZOQ-UHFFFAOYSA-N -1 1 363.421 2.648 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H]2CC(=O)[O-])c1C#N ZINC001599973480 986048971 /nfs/dbraw/zinc/04/89/71/986048971.db2.gz VNGOLCZCLJMACC-INIZCTEOSA-N -1 1 372.469 2.969 20 30 FFEDMM O=c1nc(NN=C(CCc2ccccc2)c2ccccc2)nc2[nH][n-]cc1-2 ZINC000762605758 988516586 /nfs/dbraw/zinc/51/65/86/988516586.db2.gz YWPPJIVGRHJSDE-UHFFFAOYSA-N -1 1 358.405 2.881 20 30 FFEDMM CCc1oc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1C(=O)[O-] ZINC001597799303 989381186 /nfs/dbraw/zinc/38/11/86/989381186.db2.gz PSWSULKHLWTJJU-CQSZACIVSA-N -1 1 354.410 2.883 20 30 FFEDMM COC(=O)c1ccccc1-c1ccc(C=NNc2nc(C)cc(=O)[n-]2)o1 ZINC000916241788 989766365 /nfs/dbraw/zinc/76/63/65/989766365.db2.gz UVEVCDGNZXYGSC-UHFFFAOYSA-N -1 1 352.350 2.983 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000740065995 991628935 /nfs/dbraw/zinc/62/89/35/991628935.db2.gz GTPZCWHTOKJEBX-DLBZAZTESA-N -1 1 372.469 2.528 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)C1 ZINC000809764364 994605274 /nfs/dbraw/zinc/60/52/74/994605274.db2.gz DUJQJKINOLNWDA-FQEVSTJZSA-N -1 1 371.437 2.737 20 30 FFEDMM CCCCCC[C@@H](CC)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001170590959 994653091 /nfs/dbraw/zinc/65/30/91/994653091.db2.gz PUGPQOJGJSSSJP-KGLIPLIRSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCCC[C@@H](CC)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001170590959 994653094 /nfs/dbraw/zinc/65/30/94/994653094.db2.gz PUGPQOJGJSSSJP-KGLIPLIRSA-N -1 1 356.469 2.751 20 30 FFEDMM Cc1cnc(C#N)c([N-][C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)n1 ZINC001170607317 994795415 /nfs/dbraw/zinc/79/54/15/994795415.db2.gz LZCZKGBACFHOKF-FQEVSTJZSA-N -1 1 368.400 2.884 20 30 FFEDMM COc1ccc([C@@H](O)C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000812623073 995486370 /nfs/dbraw/zinc/48/63/70/995486370.db2.gz COQQJQGYRVLMCW-HXUWFJFHSA-N -1 1 366.417 2.858 20 30 FFEDMM COc1cc(CN2CCC(C#N)(C(=O)[O-])CC2)c(SC)cc1OC ZINC001599406793 997323992 /nfs/dbraw/zinc/32/39/92/997323992.db2.gz JMIIPFAMYFWIOA-UHFFFAOYSA-N -1 1 350.440 2.616 20 30 FFEDMM Cc1c(NC(=O)c2ccc(C#N)c([O-])c2)c(=O)n(C2CCCCC2)n1C ZINC001144562721 998652321 /nfs/dbraw/zinc/65/23/21/998652321.db2.gz ZFFHBFXGNPKLLL-UHFFFAOYSA-N -1 1 354.410 2.830 20 30 FFEDMM C#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000733287497 998947679 /nfs/dbraw/zinc/94/76/79/998947679.db2.gz GIJHACRSGQHQDI-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM Cc1nc(-c2ccc(NCCNc3ccc(C#N)cn3)nc2)[n-]c(=O)c1C ZINC000742391349 999771515 /nfs/dbraw/zinc/77/15/15/999771515.db2.gz GNBZCIASRUVDAU-UHFFFAOYSA-N -1 1 361.409 2.652 20 30 FFEDMM C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000737492148 999807759 /nfs/dbraw/zinc/80/77/59/999807759.db2.gz APBHKQHNYSPMKP-PMACEKPBSA-N -1 1 368.477 2.581 20 30 FFEDMM COc1cc(CN=Nc2oc(CC(C)C)nc2C#N)cc([N+](=O)[O-])c1[O-] ZINC000745613525 999923311 /nfs/dbraw/zinc/92/33/11/999923311.db2.gz GLODHONLPBBDLY-UHFFFAOYSA-N -1 1 359.342 2.813 20 30 FFEDMM Cc1coc([N-]C(=O)c2c(F)nccc2I)c1C#N ZINC001148094939 1001030066 /nfs/dbraw/zinc/03/00/66/1001030066.db2.gz WUXUMLHMLVQJBD-UHFFFAOYSA-N -1 1 371.109 2.851 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785564999 1001458826 /nfs/dbraw/zinc/45/88/26/1001458826.db2.gz DBSXLYHGUZHHIU-CYBMUJFWSA-N -1 1 359.426 2.641 20 30 FFEDMM N#Cc1cc(F)c([N-]S(=O)(=O)c2cncc(Br)c2)cc1F ZINC001186411086 1003304411 /nfs/dbraw/zinc/30/44/11/1003304411.db2.gz YNVRRLWQADEOOO-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccn1 ZINC001186633950 1003377150 /nfs/dbraw/zinc/37/71/50/1003377150.db2.gz VDTDQPTVRVKNHC-UHFFFAOYSA-N -1 1 365.414 2.755 20 30 FFEDMM Cc1cc([O-])c(C(=O)N[C@@H](C#N)CC(C)C)cc1I ZINC001196139030 1003676147 /nfs/dbraw/zinc/67/61/47/1003676147.db2.gz MJRUEKLTEQVPOL-SNVBAGLBSA-N -1 1 372.206 2.973 20 30 FFEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1ccc(F)cc1 ZINC001196180360 1003697409 /nfs/dbraw/zinc/69/74/09/1003697409.db2.gz GZKYIYJDXNJLGP-GFCCVEGCSA-N -1 1 370.203 2.526 20 30 FFEDMM COC(=O)[C@@]1(F)CCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196309208 1003730918 /nfs/dbraw/zinc/73/09/18/1003730918.db2.gz QGSRSCNHOGWFRA-HXUWFJFHSA-N -1 1 368.364 2.658 20 30 FFEDMM C=CCCO[C@H](C)C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806017625 1004209074 /nfs/dbraw/zinc/20/90/74/1004209074.db2.gz ACVMNPJORVDJPZ-CQSZACIVSA-N -1 1 357.410 2.620 20 30 FFEDMM N#Cc1cc(NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)ccc1[O-] ZINC001192675108 1004234665 /nfs/dbraw/zinc/23/46/65/1004234665.db2.gz CMWPKAYHISEZLN-UHFFFAOYSA-N -1 1 356.357 2.884 20 30 FFEDMM Cc1cn(-c2cc([N-]S(=O)(=O)[C@@H](C)C#N)cc(C(F)(F)F)c2)cn1 ZINC001193151236 1004391490 /nfs/dbraw/zinc/39/14/90/1004391490.db2.gz ONFVSDYCKQYALH-JTQLQIEISA-N -1 1 358.345 2.853 20 30 FFEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2nc(C#N)c(C#N)nc2Cl)c1 ZINC001195120003 1004897449 /nfs/dbraw/zinc/89/74/49/1004897449.db2.gz FUNJIMBDEXHAIP-UHFFFAOYSA-N -1 1 361.814 2.798 20 30 FFEDMM N=C(c1nonc1N)N([O-])C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195255425 1004923968 /nfs/dbraw/zinc/92/39/68/1004923968.db2.gz QXOHQIHPSPJVAI-NGISOQJBSA-N -1 1 367.325 2.630 20 30 FFEDMM C#CC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195442811 1004960426 /nfs/dbraw/zinc/96/04/26/1004960426.db2.gz VBMYJHISBDNKMF-UHFFFAOYSA-N -1 1 354.628 2.932 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)o1 ZINC001195508816 1004980758 /nfs/dbraw/zinc/98/07/58/1004980758.db2.gz XNMPYAXSAOOUEB-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1 ZINC001201320320 1005199347 /nfs/dbraw/zinc/19/93/47/1005199347.db2.gz WIIZCYVYIAHTFZ-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM C#CCCCCCC(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001490444243 1005712128 /nfs/dbraw/zinc/71/21/28/1005712128.db2.gz OEYBUVGKMBMSPJ-IAGOWNOFSA-N -1 1 371.481 2.585 20 30 FFEDMM C[C@@H]1C(=NNc2nc(=O)c3cnn(C)c3[n-]2)CCCN1Cc1ccccc1 ZINC000814848505 1006449599 /nfs/dbraw/zinc/44/95/99/1006449599.db2.gz VMXOKVHZBGNCOG-CYBMUJFWSA-N -1 1 365.441 2.521 20 30 FFEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189055326 1006873754 /nfs/dbraw/zinc/87/37/54/1006873754.db2.gz URWNDSZQZJRIAA-SSDOTTSWSA-N -1 1 353.188 2.698 20 30 FFEDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(OCC#N)cc2)c1F ZINC001116202394 1032189810 /nfs/dbraw/zinc/18/98/10/1032189810.db2.gz KKDQGHJARDGFGO-UHFFFAOYSA-N -1 1 364.354 2.536 20 30 FFEDMM Cc1[n-][nH]c2ncnc(=NC(=O)c3cc(F)c(Cl)c(C#N)c3Cl)c1-2 ZINC001189825338 1007295301 /nfs/dbraw/zinc/29/53/01/1007295301.db2.gz BJXZZMBWTKGARQ-UHFFFAOYSA-N -1 1 365.155 2.605 20 30 FFEDMM N#CCC1(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2F)CC1 ZINC001189832920 1007300584 /nfs/dbraw/zinc/30/05/84/1007300584.db2.gz NNYJDBAMGUHMQC-UHFFFAOYSA-N -1 1 365.199 2.699 20 30 FFEDMM CCCCCCCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001191106612 1007890823 /nfs/dbraw/zinc/89/08/23/1007890823.db2.gz HMJLNMKPGXPEMT-UHFFFAOYSA-N -1 1 357.476 2.734 20 30 FFEDMM CO/N=C(\C(=O)Nc1cc(OC)cc(Br)c1[O-])c1ccco1 ZINC001177352163 1008589628 /nfs/dbraw/zinc/58/96/28/1008589628.db2.gz JFILQEVNWRHNAN-ATVHPVEESA-N -1 1 369.171 2.746 20 30 FFEDMM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1 ZINC000860470072 1009018362 /nfs/dbraw/zinc/01/83/62/1009018362.db2.gz MORALCREAFWKFY-NSHDSACASA-N -1 1 373.800 2.545 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)Nc2ccc(C#N)cc2[O-])C1 ZINC001179282113 1009311685 /nfs/dbraw/zinc/31/16/85/1009311685.db2.gz QHNMJMDBCYNTKE-YJYMSZOUSA-N -1 1 357.410 2.849 20 30 FFEDMM C=CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)cc1 ZINC000889786683 1010118410 /nfs/dbraw/zinc/11/84/10/1010118410.db2.gz NMKFTUKSBSXCHZ-MRXNPFEDSA-N -1 1 369.421 2.662 20 30 FFEDMM Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794589637 1010405210 /nfs/dbraw/zinc/40/52/10/1010405210.db2.gz MRIJGPPZFOMFNM-UHFFFAOYSA-N -1 1 371.418 2.819 20 30 FFEDMM N#Cc1cnc(N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cn1 ZINC000866143632 1010938391 /nfs/dbraw/zinc/93/83/91/1010938391.db2.gz XYZVQSVKRDTAEV-NSHDSACASA-N -1 1 361.327 2.652 20 30 FFEDMM COc1ccc(C2=NO[C@H](CNC(=O)c3cc([O-])cc(C#N)c3)C2)cc1C ZINC000801373139 1018906112 /nfs/dbraw/zinc/90/61/12/1018906112.db2.gz CNLBARRONBGOJB-KRWDZBQOSA-N -1 1 365.389 2.504 20 30 FFEDMM O=C(COc1cccc(N2CCCC2=O)c1)N([O-])Cc1ccc(F)cc1 ZINC000901375930 1019019252 /nfs/dbraw/zinc/01/92/52/1019019252.db2.gz NWKYBFOWGMCGHI-UHFFFAOYSA-N -1 1 358.369 2.749 20 30 FFEDMM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000901659647 1019323827 /nfs/dbraw/zinc/32/38/27/1019323827.db2.gz CWBRTHMEKBHUIB-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000119862025 1022614336 /nfs/dbraw/zinc/61/43/36/1022614336.db2.gz VZGOXDDBAFHKJN-JBVUFVISSA-N -1 1 350.374 2.717 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)cc1 ZINC000752476728 1023148194 /nfs/dbraw/zinc/14/81/94/1023148194.db2.gz BQDUOWFXSKAUSO-AWEZNQCLSA-N -1 1 371.418 2.898 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1ccccc1C ZINC001122487614 1023300423 /nfs/dbraw/zinc/30/04/23/1023300423.db2.gz DKTUZUOTQUWENY-HNNXBMFYSA-N -1 1 350.430 2.684 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1ccccc1C ZINC001122487614 1023300426 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C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCSC[C@@H]1C ZINC001263337101 1042247950 /nfs/dbraw/zinc/24/79/50/1042247950.db2.gz SOLVOFJBBNSANL-LBPRGKRZSA-N -1 1 372.498 2.836 20 30 FFEDMM CON=CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001538770793 1070489509 /nfs/dbraw/zinc/48/95/09/1070489509.db2.gz KMXQDYWQYZFCMZ-UHFFFAOYSA-N -1 1 367.814 2.712 20 30 FFEDMM CCOC(=O)C(C(=O)OCC)c1ccc(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242566377 1044751661 /nfs/dbraw/zinc/75/16/61/1044751661.db2.gz WARYVJUCFWCNON-UHFFFAOYSA-N -1 1 354.362 2.536 20 30 FFEDMM CCOC(=O)[C@@H]1CCCN(c2ccc(-c3ccc([O-])c(C#N)c3)nn2)C1 ZINC001242562634 1044752142 /nfs/dbraw/zinc/75/21/42/1044752142.db2.gz DNVQPGLNAGQPOX-CQSZACIVSA-N -1 1 352.394 2.500 20 30 FFEDMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001327106453 1047190480 /nfs/dbraw/zinc/19/04/80/1047190480.db2.gz XQUSMHJVVSSLBT-UHFFFAOYSA-N -1 1 357.435 2.645 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(CC)[C@H]1CCCOC1 ZINC001340472563 1050866907 /nfs/dbraw/zinc/86/69/07/1050866907.db2.gz HLUDUZFTIMGIFH-LBPRGKRZSA-N -1 1 363.849 2.890 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001340537907 1050927799 /nfs/dbraw/zinc/92/77/99/1050927799.db2.gz FWEQDVMEETVVEC-NSHDSACASA-N -1 1 354.389 2.823 20 30 FFEDMM C#Cc1ccc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC001301963663 1051021020 /nfs/dbraw/zinc/02/10/20/1051021020.db2.gz LHPSKUXDUIEICL-UHFFFAOYSA-N -1 1 354.837 2.985 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCS[C@@H](CC)C1 ZINC001342533074 1051137104 /nfs/dbraw/zinc/13/71/04/1051137104.db2.gz JJFMXRUIVIOGES-JTQLQIEISA-N -1 1 353.883 2.625 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2ccc(F)cc2C1 ZINC001342839209 1051448208 /nfs/dbraw/zinc/44/82/08/1051448208.db2.gz GWBLWRPULBQQGV-UHFFFAOYSA-N -1 1 354.389 2.652 20 30 FFEDMM Cc1ccc(C)n1-c1c(C([O-])=C(C#N)c2ncc(Cl)n2C)cnn1C ZINC001344864364 1052079259 /nfs/dbraw/zinc/07/92/59/1052079259.db2.gz PYZXYLUUWKLMFK-LBPRGKRZSA-N -1 1 356.817 2.705 20 30 FFEDMM C=CCCCCCN(C)c1nnc(-c2c[n-][nH]c2=O)n1C[C@H]1CCCO1 ZINC001343279393 1052130013 /nfs/dbraw/zinc/13/00/13/1052130013.db2.gz YNIMVOUDQXAJGL-CQSZACIVSA-N -1 1 360.462 2.735 20 30 FFEDMM C=CCC[C@@H]1CCCN1c1nnc(-c2nnn[n-]2)n1Cc1cccs1 ZINC001343549707 1052299897 /nfs/dbraw/zinc/29/98/97/1052299897.db2.gz XGHNDSXBMONKAW-GFCCVEGCSA-N -1 1 356.459 2.503 20 30 FFEDMM C=CCC[C@@H]1CCCN1c1nnc(-c2nn[n-]n2)n1Cc1cccs1 ZINC001343549707 1052299900 /nfs/dbraw/zinc/29/99/00/1052299900.db2.gz XGHNDSXBMONKAW-GFCCVEGCSA-N -1 1 356.459 2.503 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)Cc1csc(CC)n1 ZINC001343667551 1052364898 /nfs/dbraw/zinc/36/48/98/1052364898.db2.gz DVRRASFWVIJYBK-UHFFFAOYSA-N -1 1 359.459 2.605 20 30 FFEDMM C=C1CCN(c2nnc(-c3c[n-][nH]c3=O)n2CCc2ccccc2)CC1 ZINC001344548640 1052829712 /nfs/dbraw/zinc/82/97/12/1052829712.db2.gz PVKUZEPPPKOBJF-UHFFFAOYSA-N -1 1 350.426 2.773 20 30 FFEDMM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnncc1[O-] ZINC001337318089 1054647486 /nfs/dbraw/zinc/64/74/86/1054647486.db2.gz BGVHRFOYGIZOHX-SNVBAGLBSA-N -1 1 350.300 2.755 20 30 FFEDMM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC001337400081 1054721822 /nfs/dbraw/zinc/72/18/22/1054721822.db2.gz OINSTDMCNPNZOC-CQSZACIVSA-N -1 1 366.845 2.969 20 30 FFEDMM C#CC1CCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC(C)C)CC1 ZINC001357847727 1056036789 /nfs/dbraw/zinc/03/67/89/1056036789.db2.gz MVJSFSURMDXAEC-UHFFFAOYSA-N -1 1 366.469 2.824 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CCOC(C)(C)C ZINC001339496418 1056514249 /nfs/dbraw/zinc/51/42/49/1056514249.db2.gz ABHADEPOLXNTDS-UHFFFAOYSA-N -1 1 372.473 2.755 20 30 FFEDMM C=CCn1c([C@H]2C[C@H]2C)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC001339580494 1056605975 /nfs/dbraw/zinc/60/59/75/1056605975.db2.gz HHNHOETUZIRXKS-FVCCEPFGSA-N -1 1 371.407 2.623 20 30 FFEDMM COc1cc([C@H](C#N)NC(=O)c2ccc([O-])cc2F)cc(OC)c1OC ZINC001544487013 1071649786 /nfs/dbraw/zinc/64/97/86/1071649786.db2.gz QDGHQMKXHGSJKL-AWEZNQCLSA-N -1 1 360.341 2.552 20 30 FFEDMM C#C[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000848291612 1059615347 /nfs/dbraw/zinc/61/53/47/1059615347.db2.gz WPOPSTIHTIIMDS-MRXNPFEDSA-N -1 1 368.458 2.973 20 30 FFEDMM CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001455022552 1059671887 /nfs/dbraw/zinc/67/18/87/1059671887.db2.gz MTDFLIXKVLMDFZ-WFASDCNBSA-N -1 1 365.396 2.627 20 30 FFEDMM C=C(C)C[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)OCC ZINC001455242697 1059737909 /nfs/dbraw/zinc/73/79/09/1059737909.db2.gz LMHNGOURSWPLQN-LBPRGKRZSA-N -1 1 356.216 2.782 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC3(CCOCC3)Oc3ccccc32)o1 ZINC001475618378 1061167597 /nfs/dbraw/zinc/16/75/97/1061167597.db2.gz SZOPEJZIPBTVOD-HNNXBMFYSA-N -1 1 374.418 2.503 20 30 FFEDMM CN(C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nn[n-]n1 ZINC001528748898 1062032662 /nfs/dbraw/zinc/03/26/62/1062032662.db2.gz GBEGHDJMWAFDHR-UHFFFAOYSA-N -1 1 354.757 2.794 20 30 FFEDMM C#CC1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCC1 ZINC001464354856 1062565922 /nfs/dbraw/zinc/56/59/22/1062565922.db2.gz IYYPLGXVCQXQDX-UHFFFAOYSA-N -1 1 351.321 2.949 20 30 FFEDMM COc1ccc(-c2nc(CCNC(=O)c3ccc(C#N)c([O-])c3)co2)cc1 ZINC001464668747 1062751873 /nfs/dbraw/zinc/75/18/73/1062751873.db2.gz MGQWFMUQURGVJN-UHFFFAOYSA-N -1 1 363.373 2.900 20 30 FFEDMM Cn1cc(CNC(=O)c2c([O-])cccc2F)c(-c2ccc(C#N)cc2)n1 ZINC001466802928 1063563033 /nfs/dbraw/zinc/56/30/33/1063563033.db2.gz XRGXHWYIQVAKBZ-UHFFFAOYSA-N -1 1 350.353 2.733 20 30 FFEDMM Cc1cc(C(F)(F)F)nc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)n1 ZINC001472635134 1065118167 /nfs/dbraw/zinc/11/81/67/1065118167.db2.gz FIRXXHQNGXCWOO-UHFFFAOYSA-N -1 1 373.298 2.713 20 30 FFEDMM Cc1cc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c(C)n1-c1ccccc1 ZINC001580928445 1078893375 /nfs/dbraw/zinc/89/33/75/1078893375.db2.gz JJLNGIGLAUJVDQ-UHFFFAOYSA-N -1 1 371.408 2.548 20 30 FFEDMM Cc1cc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c(C)n1-c1ccccc1 ZINC001580928445 1078893380 /nfs/dbraw/zinc/89/33/80/1078893380.db2.gz JJLNGIGLAUJVDQ-UHFFFAOYSA-N -1 1 371.408 2.548 20 30 FFEDMM N#CCCN(C(=O)CCC(=O)[N-]Oc1ccccc1F)c1ccccc1 ZINC001558226652 1075963750 /nfs/dbraw/zinc/96/37/50/1075963750.db2.gz QEDGDOPWFANAAZ-UHFFFAOYSA-N -1 1 355.369 2.963 20 30 FFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H](CO)c1cc(F)ccc1F ZINC001558802143 1076079423 /nfs/dbraw/zinc/07/94/23/1076079423.db2.gz YTPJSFORVYLNBJ-OAHLLOKOSA-N -1 1 352.287 2.778 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)c2cccc(Cl)c2Cl)o1 ZINC001561826893 1076429402 /nfs/dbraw/zinc/42/94/02/1076429402.db2.gz OVSJPGGYIOFHON-UHFFFAOYSA-N -1 1 359.190 2.619 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)NCCc2c(F)cc([O-])cc2F)cc1Cl ZINC001561958632 1076454252 /nfs/dbraw/zinc/45/42/52/1076454252.db2.gz SDAXTSQGTFCCLU-UHFFFAOYSA-N -1 1 372.780 2.716 20 30 FFEDMM CC(C)(NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1cccc(C#N)c1 ZINC001573920461 1077847643 /nfs/dbraw/zinc/84/76/43/1077847643.db2.gz REBWYYSFUVNHHI-UHFFFAOYSA-N -1 1 367.438 2.534 20 30 FFEDMM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1F ZINC001588329309 1079985637 /nfs/dbraw/zinc/98/56/37/1079985637.db2.gz CVBPRQZZZDNEPS-LLVKDONJSA-N -1 1 361.789 2.825 20 30 FFEDMM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1F ZINC001588329309 1079985645 /nfs/dbraw/zinc/98/56/45/1079985645.db2.gz CVBPRQZZZDNEPS-LLVKDONJSA-N -1 1 361.789 2.825 20 30 FFEDMM C#CCCOc1ccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001588347220 1079990360 /nfs/dbraw/zinc/99/03/60/1079990360.db2.gz KGPIMIKIUAMGPF-UHFFFAOYSA-N -1 1 374.813 2.631 20 30 FFEDMM C#CCCC[C@@H](C)OC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588342419 1079990413 /nfs/dbraw/zinc/99/04/13/1079990413.db2.gz YTKOPDZKBHWNJM-SECBINFHSA-N -1 1 353.304 2.629 20 30 FFEDMM C=CCC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001588579807 1080107424 /nfs/dbraw/zinc/10/74/24/1080107424.db2.gz SWVOHGXQKZKQKX-OAHLLOKOSA-N -1 1 364.409 2.713 20 30 FFEDMM C=CCNc1nnc(Sc2nc(Cl)c(-c3nn[n-]n3)s2)s1 ZINC001588665846 1080146874 /nfs/dbraw/zinc/14/68/74/1080146874.db2.gz RRKXTCPTOZZISV-UHFFFAOYSA-N -1 1 358.865 2.577 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001588703364 1080162373 /nfs/dbraw/zinc/16/23/73/1080162373.db2.gz ANHFIHSPNZAEGU-AWEZNQCLSA-N -1 1 366.429 2.673 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001588703364 1080162376 /nfs/dbraw/zinc/16/23/76/1080162376.db2.gz ANHFIHSPNZAEGU-AWEZNQCLSA-N -1 1 366.429 2.673 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@](C)(CCF)C(=O)[O-] ZINC001589332041 1080486008 /nfs/dbraw/zinc/48/60/08/1080486008.db2.gz WGZDDTCBGCSOJH-SJCJKPOMSA-N -1 1 367.446 2.669 20 30 FFEDMM C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589444239 1080537166 /nfs/dbraw/zinc/53/71/66/1080537166.db2.gz GZIICKIZAFCSIP-VFNWGFHPSA-N -1 1 363.417 2.614 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2COc3cccc(Cl)c32)o1 ZINC001589774331 1080731498 /nfs/dbraw/zinc/73/14/98/1080731498.db2.gz ZHNLTBNJKIRHBG-UHFFFAOYSA-N -1 1 359.777 2.840 20 30 FFEDMM N#Cc1csc(CN[C@H](Cc2ccccc2Br)C(=O)[O-])n1 ZINC001601132167 1126222341 /nfs/dbraw/zinc/22/23/41/1126222341.db2.gz JNAGRCHZCZWWNY-GFCCVEGCSA-N -1 1 366.240 2.563 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C2CC2)no1 ZINC000103160488 250137850 /nfs/dbraw/zinc/13/78/50/250137850.db2.gz WQCMIVVJQPTMHY-AWEZNQCLSA-N -1 1 364.402 2.633 20 30 FFEDMM N#Cc1ccc(OC2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)c(F)c1 ZINC000286746416 257052916 /nfs/dbraw/zinc/05/29/16/257052916.db2.gz RGIYQXHIEOYXMD-UHFFFAOYSA-N -1 1 368.364 2.656 20 30 FFEDMM Cc1nsc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)c1C#N ZINC000291033633 257375816 /nfs/dbraw/zinc/37/58/16/257375816.db2.gz FNNFCOLVMLPFJX-UHFFFAOYSA-N -1 1 362.842 2.645 20 30 FFEDMM N#Cc1cccnc1-n1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000302139560 258090336 /nfs/dbraw/zinc/09/03/36/258090336.db2.gz GHIUPDAHOHBSIY-UHFFFAOYSA-N -1 1 351.282 2.699 20 30 FFEDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccco1 ZINC000373037561 512143668 /nfs/dbraw/zinc/14/36/68/512143668.db2.gz QBNCSMVUOTVLLF-GOSISDBHSA-N -1 1 369.402 2.623 20 30 FFEDMM N#CCC1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000397107734 512944196 /nfs/dbraw/zinc/94/41/96/512944196.db2.gz COMJGVXROOSEOZ-UHFFFAOYSA-N -1 1 370.190 2.763 20 30 FFEDMM CC1(C#N)CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000230909484 509442704 /nfs/dbraw/zinc/44/27/04/509442704.db2.gz DLDQSBZJSMCFKD-UHFFFAOYSA-N -1 1 370.190 2.763 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000055631622 506806977 /nfs/dbraw/zinc/80/69/77/506806977.db2.gz PAXRWKFXJJITID-QGZVFWFLSA-N -1 1 358.419 2.917 20 30 FFEDMM N#CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000067686804 506976096 /nfs/dbraw/zinc/97/60/96/506976096.db2.gz FHBMWACGBYBWGA-UHFFFAOYSA-N -1 1 355.419 2.616 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000071092026 507694264 /nfs/dbraw/zinc/69/42/64/507694264.db2.gz SNOLDCAMOUUTSQ-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM C=CCNC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000030016270 507800353 /nfs/dbraw/zinc/80/03/53/507800353.db2.gz WKNBLANPSQUXGC-UHFFFAOYSA-N -1 1 356.378 2.578 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC000078982728 507922054 /nfs/dbraw/zinc/92/20/54/507922054.db2.gz DLAZWDWPCSUDJE-UHFFFAOYSA-N -1 1 361.810 2.897 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC#N)C3CC3)c2)cc1 ZINC000109345569 507956570 /nfs/dbraw/zinc/95/65/70/507956570.db2.gz QFKOHNRSFRNKTN-UHFFFAOYSA-N -1 1 369.446 2.924 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000158676386 508738399 /nfs/dbraw/zinc/73/83/99/508738399.db2.gz JAXZIDYXBLYJCB-UHFFFAOYSA-N -1 1 358.423 2.642 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)c1C#N ZINC000137253105 508747083 /nfs/dbraw/zinc/74/70/83/508747083.db2.gz MXNWATJUIWCNIB-UHFFFAOYSA-N -1 1 371.462 2.813 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)C#N)cc2)cc1C ZINC000125782219 509029112 /nfs/dbraw/zinc/02/91/12/509029112.db2.gz QFVYSYHQPAAYLC-AWEZNQCLSA-N -1 1 357.435 2.746 20 30 FFEDMM C=C(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000160971860 509055229 /nfs/dbraw/zinc/05/52/29/509055229.db2.gz NHNNFWWIQWFDAX-UHFFFAOYSA-N -1 1 360.435 2.802 20 30 FFEDMM Cc1ccc(C(=O)NCC#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000126869829 509140547 /nfs/dbraw/zinc/14/05/47/509140547.db2.gz LZVZMADWCZDIKT-UHFFFAOYSA-N -1 1 363.826 2.703 20 30 FFEDMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000179331707 509380306 /nfs/dbraw/zinc/38/03/06/509380306.db2.gz BZPWMLARXIMNAC-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)s1 ZINC000176714220 509654203 /nfs/dbraw/zinc/65/42/03/509654203.db2.gz NJUZUZDBQUMRQW-UHFFFAOYSA-N -1 1 367.452 2.586 20 30 FFEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000186433122 509706040 /nfs/dbraw/zinc/70/60/40/509706040.db2.gz KUQVMRRZFYXJSM-SSDOTTSWSA-N -1 1 353.188 2.698 20 30 FFEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000190284002 510043151 /nfs/dbraw/zinc/04/31/51/510043151.db2.gz AKXGNPUDZUARIP-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1[O-] ZINC000190476090 510152686 /nfs/dbraw/zinc/15/26/86/510152686.db2.gz IVDFJCCUOHDOKU-UHFFFAOYSA-N -1 1 364.430 2.836 20 30 FFEDMM CN(CCC#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184150384 510161904 /nfs/dbraw/zinc/16/19/04/510161904.db2.gz OPSXNBDQGAUIST-UHFFFAOYSA-N -1 1 358.423 2.865 20 30 FFEDMM C=CCC[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccccc1 ZINC000187494068 510299294 /nfs/dbraw/zinc/29/92/94/510299294.db2.gz JNWCMQAXJBVVKR-HNNXBMFYSA-N -1 1 360.435 2.728 20 30 FFEDMM N#Cc1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1[O-] ZINC000188344383 510720145 /nfs/dbraw/zinc/72/01/45/510720145.db2.gz UMITUZCXPLABFC-UHFFFAOYSA-N -1 1 350.403 2.755 20 30 FFEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc21 ZINC000172503937 510760187 /nfs/dbraw/zinc/76/01/87/510760187.db2.gz AXZANOYFCJUUSF-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM COc1cccc(N2CCC[C@H](NC(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000188426405 510762111 /nfs/dbraw/zinc/76/21/11/510762111.db2.gz CWHHUUAVTREDST-INIZCTEOSA-N -1 1 351.406 2.671 20 30 FFEDMM CCc1ccc(CN2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)s1 ZINC000188468514 510781951 /nfs/dbraw/zinc/78/19/51/510781951.db2.gz MGPGJRDGCMXIEP-UHFFFAOYSA-N -1 1 355.463 2.846 20 30 FFEDMM CCN(C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1)CC(F)(F)F ZINC000188611632 510843223 /nfs/dbraw/zinc/84/32/23/510843223.db2.gz ODGTWJDEUBNGQZ-GFCCVEGCSA-N -1 1 355.360 2.610 20 30 FFEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000288569973 511080525 /nfs/dbraw/zinc/08/05/25/511080525.db2.gz KQEVLUYJZWEWRD-NSHDSACASA-N -1 1 367.265 2.512 20 30 FFEDMM N#CCCCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271259669 511140379 /nfs/dbraw/zinc/14/03/79/511140379.db2.gz KNJATESQKNAUEM-UHFFFAOYSA-N -1 1 359.304 2.927 20 30 FFEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc2)CC1 ZINC000271914801 511369242 /nfs/dbraw/zinc/36/92/42/511369242.db2.gz SPEZXPBUYFFUQJ-UHFFFAOYSA-N -1 1 370.430 2.758 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1ccc(C#N)cc1 ZINC000363377709 511512764 /nfs/dbraw/zinc/51/27/64/511512764.db2.gz IDLMGKGBDOCSPB-UHFFFAOYSA-N -1 1 373.416 2.673 20 30 FFEDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000274643490 511897763 /nfs/dbraw/zinc/89/77/63/511897763.db2.gz BGWYQELHTKVMPG-UHFFFAOYSA-N -1 1 370.887 2.839 20 30 FFEDMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2C1 ZINC000370272865 512853327 /nfs/dbraw/zinc/85/33/27/512853327.db2.gz NAEOIOHQHPPPNF-UHFFFAOYSA-N -1 1 355.419 2.530 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2ccc(C)o2)n[nH]1 ZINC000446645262 513304282 /nfs/dbraw/zinc/30/42/82/513304282.db2.gz RZZNDHFKGLVXPD-UHFFFAOYSA-N -1 1 358.379 2.659 20 30 FFEDMM COc1cc([C@H](C#N)NC(=O)c2cc(F)ccc2[O-])cc(OC)c1OC ZINC000436547302 513893016 /nfs/dbraw/zinc/89/30/16/513893016.db2.gz WSWULFHXTMXRQD-ZDUSSCGKSA-N -1 1 360.341 2.552 20 30 FFEDMM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443289214 513922336 /nfs/dbraw/zinc/92/23/36/513922336.db2.gz YQQFAPIYKNTYQC-IRXDYDNUSA-N -1 1 356.422 2.848 20 30 FFEDMM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)ccc2NC1=O ZINC000443296629 513924335 /nfs/dbraw/zinc/92/43/35/513924335.db2.gz QBXLWDJJFOMYTR-GTNSWQLSSA-N -1 1 365.389 2.864 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1[O-] ZINC000443298412 513924496 /nfs/dbraw/zinc/92/44/96/513924496.db2.gz HKMKPWJLOUBYDP-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000436746801 513965232 /nfs/dbraw/zinc/96/52/32/513965232.db2.gz IDTTUKMPAVNBEU-UHFFFAOYSA-N -1 1 356.744 2.916 20 30 FFEDMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427212301 514150657 /nfs/dbraw/zinc/15/06/57/514150657.db2.gz KQAMYQMHHFRXSW-HSZRJFAPSA-N -1 1 366.439 2.685 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1F ZINC000427264729 514166092 /nfs/dbraw/zinc/16/60/92/514166092.db2.gz IHAACHOEILFNRO-OAHLLOKOSA-N -1 1 362.382 2.666 20 30 FFEDMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427749232 514301773 /nfs/dbraw/zinc/30/17/73/514301773.db2.gz OGEYJCYYYSEUKZ-UHFFFAOYSA-N -1 1 356.382 2.899 20 30 FFEDMM C[C@@H]1C[C@]1(C#N)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000449819943 514371000 /nfs/dbraw/zinc/37/10/00/514371000.db2.gz KDQGBLPAKYJQJG-FUXBKTLASA-N -1 1 351.229 2.811 20 30 FFEDMM C=CC[C@H](CC)NC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000466366280 514623553 /nfs/dbraw/zinc/62/35/53/514623553.db2.gz FPMLRKYPHKYUPU-HNNXBMFYSA-N -1 1 371.441 2.802 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1C ZINC000507985067 514631378 /nfs/dbraw/zinc/63/13/78/514631378.db2.gz JDDWNSOTIPVQSU-UHFFFAOYSA-N -1 1 373.434 2.804 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)CC3(C#N)CCCC3)CCCCC2)no1 ZINC000498881932 515099227 /nfs/dbraw/zinc/09/92/27/515099227.db2.gz VIMARRZCYQKQIH-UHFFFAOYSA-N -1 1 352.460 2.541 20 30 FFEDMM CC(=O)Nc1cc(S(=O)(=O)N(CCC#N)c2cccc(C)c2)ccc1[O-] ZINC000481568982 515385302 /nfs/dbraw/zinc/38/53/02/515385302.db2.gz LYQHLRXLFKRGOI-UHFFFAOYSA-N -1 1 373.434 2.768 20 30 FFEDMM N#CCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000477613084 515525803 /nfs/dbraw/zinc/52/58/03/515525803.db2.gz VFROWUAXDCPYOU-UHFFFAOYSA-N -1 1 365.798 2.699 20 30 FFEDMM CC[C@]([N-]S(=O)(=O)c1cc(C#N)ccc1C)(C(=O)OC)c1ccccc1 ZINC000510531989 515572958 /nfs/dbraw/zinc/57/29/58/515572958.db2.gz DOLOZONMUXQQOV-LJQANCHMSA-N -1 1 372.446 2.624 20 30 FFEDMM Cc1cc(C(C#N)=C([O-])c2ccc(=O)n(-c3cccc(F)c3)c2)nc(C)n1 ZINC000531200305 516344753 /nfs/dbraw/zinc/34/47/53/516344753.db2.gz PHTUNQYMVSQGIF-KRWDZBQOSA-N -1 1 362.364 2.874 20 30 FFEDMM N#C[C@H]([N-]S(=O)(=O)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000539949181 516368630 /nfs/dbraw/zinc/36/86/30/516368630.db2.gz KYWYIFWRRPHFFR-ZDUSSCGKSA-N -1 1 359.304 2.783 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Br)o1 ZINC000557853834 516472607 /nfs/dbraw/zinc/47/26/07/516472607.db2.gz NRPGCPURGKCHNV-WCQYABFASA-N -1 1 367.224 2.748 20 30 FFEDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)s1 ZINC000547801813 516572502 /nfs/dbraw/zinc/57/25/02/516572502.db2.gz IPRYUXZWAWGBEY-UHFFFAOYSA-N -1 1 356.517 2.729 20 30 FFEDMM N#CC1(CS(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000547911516 516630302 /nfs/dbraw/zinc/63/03/02/516630302.db2.gz OWRVEMMOASJQED-UHFFFAOYSA-N -1 1 367.383 2.509 20 30 FFEDMM COc1cc(C)c(NS(=O)(=O)c2ccc(F)cc2C#N)c(C(=O)[O-])c1 ZINC000547940000 516644929 /nfs/dbraw/zinc/64/49/29/516644929.db2.gz BHYHVEZJLAPAJG-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cc(CC#N)ccn1 ZINC000531925339 516718459 /nfs/dbraw/zinc/71/84/59/516718459.db2.gz XVUOAFRMYSTLBB-UHFFFAOYSA-N -1 1 374.404 2.585 20 30 FFEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(CC#N)ccn1 ZINC000532180532 516845230 /nfs/dbraw/zinc/84/52/30/516845230.db2.gz YYZBNHMOJAHQFF-UHFFFAOYSA-N -1 1 358.423 2.552 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000516482644 517705728 /nfs/dbraw/zinc/70/57/28/517705728.db2.gz ONKIDXUEQQEMSJ-UHFFFAOYSA-N -1 1 365.374 2.890 20 30 FFEDMM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccccc1Cl ZINC000553423262 517706968 /nfs/dbraw/zinc/70/69/68/517706968.db2.gz CRHWFBKBPXRYAP-LLVKDONJSA-N -1 1 354.815 2.941 20 30 FFEDMM N#CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000521601619 517792806 /nfs/dbraw/zinc/79/28/06/517792806.db2.gz FIFUDDCBSPLIKT-UHFFFAOYSA-N -1 1 355.419 2.616 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000521716479 517838231 /nfs/dbraw/zinc/83/82/31/517838231.db2.gz KCMMBOLZWQTZIC-JTQLQIEISA-N -1 1 365.436 2.765 20 30 FFEDMM CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(C#N)o2)c2ccccc2)CC1 ZINC000553799472 517912943 /nfs/dbraw/zinc/91/29/43/517912943.db2.gz XQLBSVGRZBGNIB-GOSISDBHSA-N -1 1 373.478 2.903 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000553831451 517925769 /nfs/dbraw/zinc/92/57/69/517925769.db2.gz ZCTLNWVPDNEDJV-UHFFFAOYSA-N -1 1 366.826 2.789 20 30 FFEDMM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553861770 517937981 /nfs/dbraw/zinc/93/79/81/517937981.db2.gz UTCIWVIMXVKJLX-BONVTDFDSA-N -1 1 354.815 2.859 20 30 FFEDMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000579418861 518667472 /nfs/dbraw/zinc/66/74/72/518667472.db2.gz RKKVXIULHJWJEG-UHFFFAOYSA-N -1 1 370.356 2.839 20 30 FFEDMM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000565242102 518858222 /nfs/dbraw/zinc/85/82/22/518858222.db2.gz ZWGDZCSWGAQRDH-CYBMUJFWSA-N -1 1 372.450 2.927 20 30 FFEDMM COc1cccc([C@H](NC(=O)c2cc([O-])cc(C#N)c2)c2nccn2C)c1 ZINC000589166649 518937074 /nfs/dbraw/zinc/93/70/74/518937074.db2.gz XRWYASGGZXHZFC-SFHVURJKSA-N -1 1 362.389 2.525 20 30 FFEDMM C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589528270 519025457 /nfs/dbraw/zinc/02/54/57/519025457.db2.gz TWXNZEIQSIXKGT-LBPRGKRZSA-N -1 1 351.410 2.730 20 30 FFEDMM N#Cc1cccc(CN2CCC(NC(=O)[C@H](C(=O)[O-])C3CCCC3)CC2)c1 ZINC000594747495 520129450 /nfs/dbraw/zinc/12/94/50/520129450.db2.gz JCWHFSJGPOQCHL-LJQANCHMSA-N -1 1 369.465 2.530 20 30 FFEDMM CCOc1cc(C#N)cc(-c2cc(C(F)(F)F)[nH]n2)c1OCC(=O)[O-] ZINC000594874101 520203050 /nfs/dbraw/zinc/20/30/50/520203050.db2.gz QIMIOARUYDJAJX-UHFFFAOYSA-N -1 1 355.272 2.829 20 30 FFEDMM CCc1cc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)n[nH]1 ZINC000617265320 520404775 /nfs/dbraw/zinc/40/47/75/520404775.db2.gz XHVLJXGLNBKCCD-UHFFFAOYSA-N -1 1 352.423 2.957 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000613526414 520545230 /nfs/dbraw/zinc/54/52/30/520545230.db2.gz MBXVUFYDGWSUAT-UHFFFAOYSA-N -1 1 356.744 2.916 20 30 FFEDMM C=CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000617787352 520717381 /nfs/dbraw/zinc/71/73/81/520717381.db2.gz MPELHVMCNBJRNL-CYBMUJFWSA-N -1 1 354.472 2.785 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)cn1 ZINC000610663089 520784905 /nfs/dbraw/zinc/78/49/05/520784905.db2.gz ATZMLGSJLPBFCN-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1NC(C)=O ZINC000610897177 520897682 /nfs/dbraw/zinc/89/76/82/520897682.db2.gz QSOFOVFFQUHNTJ-UHFFFAOYSA-N -1 1 359.407 2.635 20 30 FFEDMM CN(C(=O)c1ccc(I)c([O-])c1)[C@H]1CCC[C@@H]1C#N ZINC000601806329 520962558 /nfs/dbraw/zinc/96/25/58/520962558.db2.gz CUOFJKJHGQJOBF-PWSUYJOCSA-N -1 1 370.190 2.761 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(CC(=O)OC)c2)n1 ZINC000614612821 521049838 /nfs/dbraw/zinc/04/98/38/521049838.db2.gz KUURVQAIECKJGS-ZDUSSCGKSA-N -1 1 372.402 2.525 20 30 FFEDMM COc1ccc(Cl)c(N2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000593754923 521194245 /nfs/dbraw/zinc/19/42/45/521194245.db2.gz TYMGYPCNWKIIHI-UHFFFAOYSA-N -1 1 371.824 2.888 20 30 FFEDMM COc1cc2[n-]cc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)c(=O)c2c(OC)c1 ZINC000599527895 521279284 /nfs/dbraw/zinc/27/92/84/521279284.db2.gz WLNIZAAZHPMRDK-ODXCJYRJSA-N -1 1 369.421 2.748 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1[O-] ZINC000615469952 521414381 /nfs/dbraw/zinc/41/43/81/521414381.db2.gz WHMQHRKELOVSLH-GFCCVEGCSA-N -1 1 357.360 2.798 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000619461665 521579947 /nfs/dbraw/zinc/57/99/47/521579947.db2.gz MAABTRYIORAHPE-UHFFFAOYSA-N -1 1 364.810 2.993 20 30 FFEDMM C=CCCCCCN(C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000735408427 598891361 /nfs/dbraw/zinc/89/13/61/598891361.db2.gz LHHVDELMEFEDDJ-UHFFFAOYSA-N -1 1 362.459 2.508 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(C(F)(F)F)ccc2F)o1 ZINC000737466729 598821013 /nfs/dbraw/zinc/82/10/13/598821013.db2.gz BMAIHURCYGMXOF-UHFFFAOYSA-N -1 1 355.255 2.767 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)[O-])c2)n1 ZINC000737154572 600056543 /nfs/dbraw/zinc/05/65/43/600056543.db2.gz DMSACENNVUKWDL-LLVKDONJSA-N -1 1 359.363 2.900 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000737154572 600056545 /nfs/dbraw/zinc/05/65/45/600056545.db2.gz DMSACENNVUKWDL-LLVKDONJSA-N -1 1 359.363 2.900 20 30 FFEDMM C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661766 600521409 /nfs/dbraw/zinc/52/14/09/600521409.db2.gz IKLKXRSLUQCTKW-ZIAGYGMSSA-N -1 1 351.406 2.612 20 30 FFEDMM CCCNC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737030411 600594610 /nfs/dbraw/zinc/59/46/10/600594610.db2.gz WCHHNMLMEYEQIN-GOSISDBHSA-N -1 1 351.406 2.614 20 30 FFEDMM Cc1cc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C(=O)[O-])[nH]1 ZINC000832899005 601332651 /nfs/dbraw/zinc/33/26/51/601332651.db2.gz AMFDMNATTIUZRJ-UHFFFAOYSA-N -1 1 373.312 2.713 20 30 FFEDMM C[C@H](NC(=O)[O-])C1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000739016880 602425591 /nfs/dbraw/zinc/42/55/91/602425591.db2.gz WOPASRNWLLPKKZ-AWEZNQCLSA-N -1 1 353.426 2.747 20 30 FFEDMM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCCC1 ZINC000740303237 602669950 /nfs/dbraw/zinc/66/99/50/602669950.db2.gz HTVNXTKFUYPTKW-IAGOWNOFSA-N -1 1 371.437 2.933 20 30 FFEDMM O=C([O-])N1CCc2cccc(C=Nn3c(=O)c4ccccc4[nH]c3=S)c21 ZINC000832078989 603821139 /nfs/dbraw/zinc/82/11/39/603821139.db2.gz AOMNYHMJIDCBBF-UHFFFAOYSA-N -1 1 366.402 2.608 20 30 FFEDMM C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])cc1Cl ZINC000833377977 605727667 /nfs/dbraw/zinc/72/76/67/605727667.db2.gz UBWDEQRTZQJLJE-UKRRQHHQSA-N -1 1 367.829 2.743 20 30 FFEDMM C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC000820696748 606368718 /nfs/dbraw/zinc/36/87/18/606368718.db2.gz BUKLSBJATJNTJN-CKYFFXLPSA-N -1 1 363.516 2.551 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000822922923 606391768 /nfs/dbraw/zinc/39/17/68/606391768.db2.gz KXMGOEINOHEOCV-FNORWQNLSA-N -1 1 367.390 2.781 20 30 FFEDMM CCCn1nc(C)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1C ZINC000825362513 607887955 /nfs/dbraw/zinc/88/79/55/607887955.db2.gz NFFNIFRXWJBDJD-UHFFFAOYSA-N -1 1 371.449 2.822 20 30 FFEDMM CC(=NNC(=S)Nc1ccccc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823953798 608091598 /nfs/dbraw/zinc/09/15/98/608091598.db2.gz QLPXSIJZFZNUHW-UHFFFAOYSA-N -1 1 357.468 2.947 20 30 FFEDMM Cc1cc(C)n(N=C[C@@H](C)c2cccc(Cl)c2)c(=O)c1-c1nn[n-]n1 ZINC000826265062 608110515 /nfs/dbraw/zinc/11/05/15/608110515.db2.gz KXENMROQAARKEC-LLVKDONJSA-N -1 1 356.817 2.936 20 30 FFEDMM O=C(N=c1[n-]nc(Cc2ccccc2)s1)N1CCN(CC2CC2)CC1 ZINC000047349022 728032264 /nfs/dbraw/zinc/03/22/64/728032264.db2.gz DJUYTKHXUYVHQE-UHFFFAOYSA-N -1 1 357.483 2.702 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=S)Nc2ccccc2C#N)[n-]c1=O ZINC000899667159 735541171 /nfs/dbraw/zinc/54/11/71/735541171.db2.gz NXNXBLQHRALQKQ-CYBMUJFWSA-N -1 1 355.423 2.596 20 30 FFEDMM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000126477410 728703564 /nfs/dbraw/zinc/70/35/64/728703564.db2.gz UFJBCJDDFASRDA-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM N#Cc1cnn(-c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2)c1N ZINC000129537496 728711940 /nfs/dbraw/zinc/71/19/40/728711940.db2.gz FXVWUFSMMINTHO-UHFFFAOYSA-N -1 1 353.769 2.937 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c1 ZINC000134461063 728730339 /nfs/dbraw/zinc/73/03/39/728730339.db2.gz AQLPQEKVCCZDRS-UHFFFAOYSA-N -1 1 358.419 2.766 20 30 FFEDMM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000778829559 738415339 /nfs/dbraw/zinc/41/53/39/738415339.db2.gz XCADZJIPLMEITP-NSHDSACASA-N -1 1 368.227 2.901 20 30 FFEDMM CCO[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000253610540 729626350 /nfs/dbraw/zinc/62/63/50/729626350.db2.gz IJTPERTVXYQPEI-SDDRHHMPSA-N -1 1 357.435 2.877 20 30 FFEDMM CN1N=C(CC[N-]C(=O)C(F)(F)F)CS/C1=N\Cc1ccccc1 ZINC000864344120 730840556 /nfs/dbraw/zinc/84/05/56/730840556.db2.gz HNPKDVIXQRLBIL-ZHZULCJRSA-N -1 1 358.389 2.646 20 30 FFEDMM C#C[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000770377433 737620351 /nfs/dbraw/zinc/62/03/51/737620351.db2.gz VZZKUGFJGZWZHV-QMMMGPOBSA-N -1 1 354.628 2.932 20 30 FFEDMM N#CC1(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)CC2(CC2)C1 ZINC000870163378 731477653 /nfs/dbraw/zinc/47/76/53/731477653.db2.gz BPRBRAVBDWJSRE-UHFFFAOYSA-N -1 1 359.857 2.774 20 30 FFEDMM C=CCCn1cc(CN2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)nn1 ZINC000659797941 731998958 /nfs/dbraw/zinc/99/89/58/731998958.db2.gz XQYKZYFVLNMWNF-DLBZAZTESA-N -1 1 360.845 2.808 20 30 FFEDMM CO[C@@H](C(C)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000782241902 738701228 /nfs/dbraw/zinc/70/12/28/738701228.db2.gz CPPUZOPIUHCARY-INIZCTEOSA-N -1 1 363.395 2.637 20 30 FFEDMM O=C([O-])c1ccc(C=Nn2c(=O)c3ccccc3[nH]c2=S)c(Cl)c1 ZINC000783821816 738839672 /nfs/dbraw/zinc/83/96/72/738839672.db2.gz PFHJPQKHMPAKES-UHFFFAOYSA-N -1 1 359.794 2.919 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1sccc1C ZINC000733746796 734846533 /nfs/dbraw/zinc/84/65/33/734846533.db2.gz CCPUVGJUJQMBBK-UHFFFAOYSA-N -1 1 353.425 2.808 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccncc1 ZINC000734503558 734900718 /nfs/dbraw/zinc/90/07/18/734900718.db2.gz KIKGCMHSTTWZBE-CYBMUJFWSA-N -1 1 351.359 2.725 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-n2cc[nH]c2=O)c1 ZINC000740810886 735088883 /nfs/dbraw/zinc/08/88/83/735088883.db2.gz DWGKUFSFBSKGIM-UHFFFAOYSA-N -1 1 354.391 2.559 20 30 FFEDMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000747613133 735574182 /nfs/dbraw/zinc/57/41/82/735574182.db2.gz BRXANFOEBQFYIY-WTKPLQERSA-N -1 1 360.366 2.684 20 30 FFEDMM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907005224 736571325 /nfs/dbraw/zinc/57/13/25/736571325.db2.gz MJGAUBBTCJYFFA-UHFFFAOYSA-N -1 1 360.464 2.602 20 30 FFEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480164 736634364 /nfs/dbraw/zinc/63/43/64/736634364.db2.gz LTUNJJWRTKQNFY-GFCCVEGCSA-N -1 1 370.463 2.525 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000908753749 736827222 /nfs/dbraw/zinc/82/72/22/736827222.db2.gz PFIIFNLAFXIXLZ-CVEARBPZSA-N -1 1 351.422 2.537 20 30 FFEDMM C=C(Cl)C[C@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908927089 736859186 /nfs/dbraw/zinc/85/91/86/736859186.db2.gz ZWZLEXJVNWEIPC-UONOGXRCSA-N -1 1 369.849 2.620 20 30 FFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(N2CCOCC2)cc1Cl ZINC000764639125 737037618 /nfs/dbraw/zinc/03/76/18/737037618.db2.gz DLOLDKVIEQURDA-UHFFFAOYSA-N -1 1 361.833 2.817 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1sc(Oc2ccccc2)nc1Cl ZINC000766483191 737233676 /nfs/dbraw/zinc/23/36/76/737233676.db2.gz USRBKIVOJYARDK-UHFFFAOYSA-N -1 1 365.827 2.711 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1cc(Cl)ccc1OC1CCCC1 ZINC000766482252 737233682 /nfs/dbraw/zinc/23/36/82/737233682.db2.gz HORWMJDTYZQYGO-UHFFFAOYSA-N -1 1 350.831 2.784 20 30 FFEDMM COCCn1c(=O)cc([O-])nc1SCc1ccccc1C(C)(C)C#N ZINC000767824101 737372383 /nfs/dbraw/zinc/37/23/83/737372383.db2.gz HVQMWVPVXXEBKA-UHFFFAOYSA-N -1 1 359.451 2.689 20 30 FFEDMM N#CCCCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914062705 737497629 /nfs/dbraw/zinc/49/76/29/737497629.db2.gz IZXSRLYODYMSNX-QFIPXVFZSA-N -1 1 369.390 2.562 20 30 FFEDMM O=C1c2ccccc2CCN1N=Cc1cc(O)cc(Br)c1[O-] ZINC000769592176 737543879 /nfs/dbraw/zinc/54/38/79/737543879.db2.gz GHKOIGYIPAHQTQ-UHFFFAOYSA-N -1 1 361.195 2.893 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000769645026 737549447 /nfs/dbraw/zinc/54/94/47/737549447.db2.gz QJWCGNFANTYGMK-CYBMUJFWSA-N -1 1 360.410 2.720 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000769644469 737549531 /nfs/dbraw/zinc/54/95/31/737549531.db2.gz AKPHNFCQLLBCNU-CYBMUJFWSA-N -1 1 360.410 2.720 20 30 FFEDMM CCC[C@H](C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000769740126 737559856 /nfs/dbraw/zinc/55/98/56/737559856.db2.gz CLQQYUKBRYWQSD-SNVBAGLBSA-N -1 1 359.304 2.925 20 30 FFEDMM O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)c([O-])c1 ZINC000922238621 738110618 /nfs/dbraw/zinc/11/06/18/738110618.db2.gz HBFQQBSZNDKZGK-QMMMGPOBSA-N -1 1 367.192 2.699 20 30 FFEDMM [O-]c1c(O)cc(C=NN[C@@H](CO)c2ccccc2)cc1Br ZINC000788468471 739247452 /nfs/dbraw/zinc/24/74/52/739247452.db2.gz LIKKAWOUDSFDQU-ZDUSSCGKSA-N -1 1 351.200 2.517 20 30 FFEDMM COC(=O)c1ccc(C(=O)OCc2ccc(Br)cc2C#N)[n-]1 ZINC000796346526 740134454 /nfs/dbraw/zinc/13/44/54/740134454.db2.gz SSOPCPGTIQUREH-UHFFFAOYSA-N -1 1 363.167 2.792 20 30 FFEDMM C#Cc1cccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810153565 741393314 /nfs/dbraw/zinc/39/33/14/741393314.db2.gz FRBIZTOGOSLMDV-ZDUSSCGKSA-N -1 1 353.344 2.590 20 30 FFEDMM C#C[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(F)cc1 ZINC000812753158 741650001 /nfs/dbraw/zinc/65/00/01/741650001.db2.gz ZXQFFYOAWAXGIM-HNNXBMFYSA-N -1 1 359.426 2.775 20 30 FFEDMM O=C([O-])c1cc(CN=Nc2ccc([N+](=O)[O-])cc2Br)c[nH]1 ZINC000814906575 741873868 /nfs/dbraw/zinc/87/38/68/741873868.db2.gz AJXPXUUTRRXSOZ-UHFFFAOYSA-N -1 1 353.132 2.830 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832245216 745663383 /nfs/dbraw/zinc/66/33/83/745663383.db2.gz NTYOITOYPFAREU-KOLCDFICSA-N -1 1 367.210 2.523 20 30 FFEDMM CCn1nnc(C)c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000834936188 745925566 /nfs/dbraw/zinc/92/55/66/745925566.db2.gz UUMCCQOYLCSGGN-UHFFFAOYSA-N -1 1 359.484 2.661 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836953978 746337142 /nfs/dbraw/zinc/33/71/42/746337142.db2.gz UHSSHGGADZMTSD-KGLIPLIRSA-N -1 1 356.344 2.703 20 30 FFEDMM O=C([N-][C@@H]1CCCN(O)C1=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000848131342 748850222 /nfs/dbraw/zinc/85/02/22/748850222.db2.gz CUCSQXLAZKUIEI-SNVBAGLBSA-N -1 1 353.152 2.582 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCOCC1 ZINC000849450708 749158203 /nfs/dbraw/zinc/15/82/03/749158203.db2.gz NZIFBDRPGJQOLF-UHFFFAOYSA-N -1 1 351.255 2.792 20 30 FFEDMM C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573299707 947099838 /nfs/dbraw/zinc/09/98/38/947099838.db2.gz GSNHAXYHJYNOFF-UWVGGRQHSA-N -1 1 363.491 2.539 20 30 FFEDMM C=CCCc1ccccc1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573342160 947538670 /nfs/dbraw/zinc/53/86/70/947538670.db2.gz VFVXFSURXWFSSY-UHFFFAOYSA-N -1 1 355.427 2.764 20 30 FFEDMM C=CCCc1ccccc1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573342160 947538680 /nfs/dbraw/zinc/53/86/80/947538680.db2.gz VFVXFSURXWFSSY-UHFFFAOYSA-N -1 1 355.427 2.764 20 30 FFEDMM C#CCN1CC[C@@]2(CCCN(C(=O)c3cc(Cl)ccc3[O-])CC2)C1=O ZINC001271439625 973234855 /nfs/dbraw/zinc/23/48/55/973234855.db2.gz NUOCKIMXIUHPCD-IBGZPJMESA-N -1 1 360.841 2.524 20 30 FFEDMM C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908665548 981494172 /nfs/dbraw/zinc/49/41/72/981494172.db2.gz TUGVQEQEQOBKQJ-QWHCGFSZSA-N -1 1 358.446 2.823 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000909136275 981637150 /nfs/dbraw/zinc/63/71/50/981637150.db2.gz FYLBJGJAEYABRC-YJBOKZPZSA-N -1 1 374.485 2.716 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)cc1OC ZINC000916935422 990036293 /nfs/dbraw/zinc/03/62/93/990036293.db2.gz PIAASIRHHSLDMJ-ZDUSSCGKSA-N -1 1 369.377 2.532 20 30 FFEDMM N#CCOc1ccccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000920632972 990893379 /nfs/dbraw/zinc/89/33/79/990893379.db2.gz BSQTUEBZQPXDLD-UHFFFAOYSA-N -1 1 351.314 2.758 20 30 FFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000809629169 994561180 /nfs/dbraw/zinc/56/11/80/994561180.db2.gz GRKNLQDZECAWDL-LBPRGKRZSA-N -1 1 351.362 2.711 20 30 FFEDMM C#Cc1ccccc1CC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000810878277 994956514 /nfs/dbraw/zinc/95/65/14/994956514.db2.gz GXDRJSCRTCKKBS-UHFFFAOYSA-N -1 1 373.412 2.862 20 30 FFEDMM C#C[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(F)cc1 ZINC000812750115 995525231 /nfs/dbraw/zinc/52/52/31/995525231.db2.gz LDKXRNWEAXQJDB-QGZVFWFLSA-N -1 1 366.396 2.614 20 30 FFEDMM C#C[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(F)cc1 ZINC000812750114 995525491 /nfs/dbraw/zinc/52/54/91/995525491.db2.gz LDKXRNWEAXQJDB-KRWDZBQOSA-N -1 1 366.396 2.614 20 30 FFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000727252397 995729035 /nfs/dbraw/zinc/72/90/35/995729035.db2.gz XNTQRUPXCVLVEF-UHFFFAOYSA-N -1 1 360.330 2.760 20 30 FFEDMM COC(=O)c1cc(C=NNc2cccc(C(=O)[O-])c2F)n2c1CCCC2 ZINC001598927771 997682877 /nfs/dbraw/zinc/68/28/77/997682877.db2.gz DUJVTOKSPZHQKZ-UHFFFAOYSA-N -1 1 359.357 2.894 20 30 FFEDMM COc1cc(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)ccc1F ZINC001599427142 997695302 /nfs/dbraw/zinc/69/53/02/997695302.db2.gz CPFDKSSGIRKYIF-LJQANCHMSA-N -1 1 369.396 2.654 20 30 FFEDMM O=c1nc(N=NC(Cc2ccccc2)Cc2ccccc2)nc2[nH][n-]cc1-2 ZINC000731157876 997719759 /nfs/dbraw/zinc/71/97/59/997719759.db2.gz SXENRDIQPZFDOX-UHFFFAOYSA-N -1 1 358.405 2.685 20 30 FFEDMM N#Cc1cc(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)ccc1C1CC1 ZINC000881120186 1016151784 /nfs/dbraw/zinc/15/17/84/1016151784.db2.gz VLYMXGXFYRWLGC-UHFFFAOYSA-N -1 1 366.343 2.578 20 30 FFEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731546078 998017473 /nfs/dbraw/zinc/01/74/73/998017473.db2.gz IVINHHUQYYIMLP-ZDUSSCGKSA-N -1 1 357.297 2.704 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(N2CCOC2=O)c1C ZINC000743267710 999810112 /nfs/dbraw/zinc/81/01/12/999810112.db2.gz HWPGZTNOGCLGLW-UHFFFAOYSA-N -1 1 371.418 2.933 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001169539359 1000057569 /nfs/dbraw/zinc/05/75/69/1000057569.db2.gz IJTDBNLBFVGKPY-RDTXWAMCSA-N -1 1 364.449 2.608 20 30 FFEDMM Cn1ccc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)c1 ZINC001147002671 1000802471 /nfs/dbraw/zinc/80/24/71/1000802471.db2.gz VQYGFVYSIWDWTB-GIJQJNRQSA-N -1 1 353.407 2.812 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1nc(-c2ccccc2)oc1C ZINC001147322642 1000871181 /nfs/dbraw/zinc/87/11/81/1000871181.db2.gz PBJDURJNTUBHFY-UHFFFAOYSA-N -1 1 351.322 2.585 20 30 FFEDMM Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001148043761 1001030015 /nfs/dbraw/zinc/03/00/15/1001030015.db2.gz XTYFMKIJPOVJNM-UHFFFAOYSA-N -1 1 357.370 2.597 20 30 FFEDMM N#Cc1ccc(CNC(=O)c2cc([O-])c(Br)c(O)c2)cc1F ZINC001148996442 1001241713 /nfs/dbraw/zinc/24/17/13/1001241713.db2.gz NHKMSPVWOANKCK-UHFFFAOYSA-N -1 1 365.158 2.801 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1[O-] ZINC000785606543 1001457750 /nfs/dbraw/zinc/45/77/50/1001457750.db2.gz LHRGMPXUERXDIB-OAHLLOKOSA-N -1 1 366.295 2.626 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3)c2Cl)c(=O)o1 ZINC000789128879 1001975313 /nfs/dbraw/zinc/97/53/13/1001975313.db2.gz UWNXEFMVYLUGBQ-OZSKJFCKSA-N -1 1 370.792 2.813 20 30 FFEDMM C#CCn1ccc(CN(CCOC)C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000790105594 1002285736 /nfs/dbraw/zinc/28/57/36/1002285736.db2.gz RICCKZCNHTXHGY-UHFFFAOYSA-N -1 1 363.417 2.664 20 30 FFEDMM O=c1nc(NN=C2CCCc3[nH]c4ccc(Cl)cc4c32)nc2[nH][n-]cc1-2 ZINC000790295365 1002320504 /nfs/dbraw/zinc/32/05/04/1002320504.db2.gz HYTIVGTZLCPDEJ-UHFFFAOYSA-N -1 1 367.800 2.719 20 30 FFEDMM CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(C#N)cc2[O-])COC1(C)C ZINC001184025835 1002466597 /nfs/dbraw/zinc/46/65/97/1002466597.db2.gz XYWGPRCKSBVMBH-ZDUSSCGKSA-N -1 1 361.398 2.574 20 30 FFEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cncc(OC)n1 ZINC000791771478 1002796381 /nfs/dbraw/zinc/79/63/81/1002796381.db2.gz NFCQZEZIHBBRDY-AWEZNQCLSA-N -1 1 352.394 2.571 20 30 FFEDMM COc1cc(C#N)c(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185914029 1003128829 /nfs/dbraw/zinc/12/88/29/1003128829.db2.gz KNHURTPSZHPJLA-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM Cn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000793125059 1003278617 /nfs/dbraw/zinc/27/86/17/1003278617.db2.gz OALVHQHUQDCRJG-CQSZACIVSA-N -1 1 361.361 2.569 20 30 FFEDMM CCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc(CC)c1C#N ZINC001186937885 1003480034 /nfs/dbraw/zinc/48/00/34/1003480034.db2.gz DJKKYZGGUBBOKQ-UHFFFAOYSA-N -1 1 369.446 2.978 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N[C@H]3CCc4n[nH]cc4C3)c2)c1 ZINC001196330353 1003744254 /nfs/dbraw/zinc/74/42/54/1003744254.db2.gz QDYAXCHFXBJGDX-SFHVURJKSA-N -1 1 358.401 2.941 20 30 FFEDMM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1F ZINC001192085493 1004043019 /nfs/dbraw/zinc/04/30/19/1004043019.db2.gz PPUZBGFARQYMRJ-MGPLVRAMSA-N -1 1 368.817 2.751 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001193096846 1004384771 /nfs/dbraw/zinc/38/47/71/1004384771.db2.gz AUTARGURKPWCQA-LLVKDONJSA-N -1 1 351.428 2.638 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(I)c1 ZINC001193148612 1004390493 /nfs/dbraw/zinc/39/04/93/1004390493.db2.gz BFDLOSUAJBOZIK-LURJTMIESA-N -1 1 370.599 2.598 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cn(-c2ccccc2C)nn1 ZINC000807981090 1004730898 /nfs/dbraw/zinc/73/08/98/1004730898.db2.gz CEQSOXZAUYLUNT-UHFFFAOYSA-N -1 1 351.366 2.729 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(=O)N(C)C)c2)cc1C#N ZINC001201322934 1005200000 /nfs/dbraw/zinc/20/00/00/1005200000.db2.gz UPVVUUVNMLFVJK-UHFFFAOYSA-N -1 1 359.407 2.728 20 30 FFEDMM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)c1sc(Cl)nc1C)[C@@H](C)CC ZINC001201766788 1005263664 /nfs/dbraw/zinc/26/36/64/1005263664.db2.gz IQTKRQCEISVAFU-WPRPVWTQSA-N -1 1 366.892 2.527 20 30 FFEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000814216198 1006206790 /nfs/dbraw/zinc/20/67/90/1006206790.db2.gz BLIGUWOAZOZUQQ-UHFFFAOYSA-N -1 1 351.362 2.874 20 30 FFEDMM N#Cc1cc(NC(=O)c2n[n-]nc2C(F)(F)F)ccc1N1CCCCC1 ZINC001187766298 1006240724 /nfs/dbraw/zinc/24/07/24/1006240724.db2.gz OVJUEOFQWKEQEH-UHFFFAOYSA-N -1 1 364.331 2.938 20 30 FFEDMM CCCCCCCCS(=O)(=O)[N-][C@@H](C(=O)OCC)c1ccccn1 ZINC001188029550 1006387479 /nfs/dbraw/zinc/38/74/79/1006387479.db2.gz UJRUUCKTMWNUAB-MRXNPFEDSA-N -1 1 356.488 2.966 20 30 FFEDMM Cc1ccc(C(C)C)c2c1C(=NN=C1[N-]S(=O)(=O)c3ccccc31)CO2 ZINC000814798832 1006433145 /nfs/dbraw/zinc/43/31/45/1006433145.db2.gz NTECHGKVLDYEHL-UHFFFAOYSA-N -1 1 369.446 2.954 20 30 FFEDMM N#CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1ccccc1 ZINC001188416820 1006552423 /nfs/dbraw/zinc/55/24/23/1006552423.db2.gz GPPBYNGVMNZZKD-INIZCTEOSA-N -1 1 370.390 2.790 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC001116153461 1032157877 /nfs/dbraw/zinc/15/78/77/1032157877.db2.gz IVQCKGZYGBEWNY-OXJNMPFZSA-N -1 1 366.442 2.546 20 30 FFEDMM CC(C)(C)OC(=O)NC1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCC1 ZINC000855631730 1007470278 /nfs/dbraw/zinc/47/02/78/1007470278.db2.gz CNERWVLDHLCLBG-UHFFFAOYSA-N -1 1 359.426 2.831 20 30 FFEDMM C=CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC001191148159 1007902323 /nfs/dbraw/zinc/90/23/23/1007902323.db2.gz XNEXMMPPCUAMGW-LBPRGKRZSA-N -1 1 368.817 2.571 20 30 FFEDMM Cc1cc(C#N)ccc1COC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000777054871 1008428264 /nfs/dbraw/zinc/42/82/64/1008428264.db2.gz VQOUIRPRUNNHJY-UHFFFAOYSA-N -1 1 364.405 2.908 20 30 FFEDMM N#Cc1ccc(NC(=O)COc2c(F)c(F)c(F)c(F)c2F)c([O-])c1 ZINC001180158965 1009582591 /nfs/dbraw/zinc/58/25/91/1009582591.db2.gz FISHUTVDRALCDT-UHFFFAOYSA-N -1 1 358.222 2.977 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)c([O-])c1 ZINC001180337441 1009638836 /nfs/dbraw/zinc/63/88/36/1009638836.db2.gz SPWKQKRTSFSIMI-MRXNPFEDSA-N -1 1 351.362 2.866 20 30 FFEDMM CC(=O)C[C@@H](C)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001181250424 1010024290 /nfs/dbraw/zinc/02/42/90/1010024290.db2.gz FLWWSEXSOXPCLJ-SVXRXWARSA-N -1 1 358.423 2.775 20 30 FFEDMM CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N([O-])C(=N)c1ccccc1N ZINC001181237181 1010040687 /nfs/dbraw/zinc/04/06/87/1010040687.db2.gz RPJQMJRIDKCLFO-ZDUSSCGKSA-N -1 1 364.446 2.609 20 30 FFEDMM CCOC(=O)c1[nH]c(C)c(CN=Nc2ccc(C(=O)[O-])cc2OC)c1C ZINC000863106378 1010107865 /nfs/dbraw/zinc/10/78/65/1010107865.db2.gz XZCRFUIJYSMARH-UHFFFAOYSA-N -1 1 359.382 2.961 20 30 FFEDMM COC(=O)C[C@H]1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)[C@@H]1C ZINC000794510833 1010174269 /nfs/dbraw/zinc/17/42/69/1010174269.db2.gz XHHUILBBSHUCDJ-GHMZBOCLSA-N -1 1 374.445 2.664 20 30 FFEDMM N#Cc1cnc(N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cn1 ZINC000866143631 1010938142 /nfs/dbraw/zinc/93/81/42/1010938142.db2.gz XYZVQSVKRDTAEV-LLVKDONJSA-N -1 1 361.327 2.652 20 30 FFEDMM C=CCC[C@@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000868424776 1011291002 /nfs/dbraw/zinc/29/10/02/1011291002.db2.gz DYYJYEOAVOUFTH-MRXNPFEDSA-N -1 1 368.437 2.762 20 30 FFEDMM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1ccc([O-])cc1F)CC2 ZINC001274809784 1011674059 /nfs/dbraw/zinc/67/40/59/1011674059.db2.gz CZXXBSLGOXARHN-UHFFFAOYSA-N -1 1 360.429 2.952 20 30 FFEDMM Cc1ccc([N-]S(C)(=O)=O)c(-c2nc(-c3cccc(C#N)c3)no2)c1 ZINC001217012525 1032587729 /nfs/dbraw/zinc/58/77/29/1032587729.db2.gz CZTPNVUOVRQYOE-UHFFFAOYSA-N -1 1 354.391 2.955 20 30 FFEDMM C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871093815 1012730009 /nfs/dbraw/zinc/73/00/09/1012730009.db2.gz LGOAKJRUYLWUSI-MRXNPFEDSA-N -1 1 371.407 2.769 20 30 FFEDMM COCCOc1cc2c(cc1/C=C1\Cc3cc([O-])ccc3C1=O)OCO2 ZINC000780189320 1017271301 /nfs/dbraw/zinc/27/13/01/1017271301.db2.gz ZQBBUFKCYBKRDZ-VGOFMYFVSA-N -1 1 354.358 2.969 20 30 FFEDMM N#Cc1cccc(C(=O)COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000801325432 1018845949 /nfs/dbraw/zinc/84/59/49/1018845949.db2.gz RNPIOGXUERNAIB-UHFFFAOYSA-N -1 1 365.320 2.628 20 30 FFEDMM COc1ccc(-n2cc([O-])c(C(=O)OCc3ccc(C#N)cc3F)n2)cc1 ZINC000801361908 1018884433 /nfs/dbraw/zinc/88/44/33/1018884433.db2.gz KSFJUGCVRWLTFM-UHFFFAOYSA-N -1 1 367.336 2.954 20 30 FFEDMM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)o1 ZINC000796742776 1019129700 /nfs/dbraw/zinc/12/97/00/1019129700.db2.gz CUQJMKWLRIAQLN-CYBMUJFWSA-N -1 1 371.393 2.914 20 30 FFEDMM COc1ccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])cc1CC(=O)[O-] ZINC000751205520 1022770189 /nfs/dbraw/zinc/77/01/89/1022770189.db2.gz NHKCVGVIJMBZQK-KXFIGUGUSA-N -1 1 357.318 2.832 20 30 FFEDMM COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(OC)c2)c(O)c1 ZINC000757471645 1023822792 /nfs/dbraw/zinc/82/27/92/1023822792.db2.gz IENANWDEZRWXHJ-XVNBXDOJSA-N -1 1 358.346 2.769 20 30 FFEDMM CCCCOC(=O)[C@H]1CCN(c2nc(SC)nc(Cl)c2/C=N/[O-])C1 ZINC001158537298 1027055647 /nfs/dbraw/zinc/05/56/47/1027055647.db2.gz CFMDXYQCSPRLQQ-JVDJPWEPSA-N -1 1 372.878 2.830 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N[C@H](c3ccccc3)C3(O)CCC3)cc(=O)c2c1 ZINC001154560899 1028357034 /nfs/dbraw/zinc/35/70/34/1028357034.db2.gz RZTLXYAFQMJDAT-HXUWFJFHSA-N -1 1 373.412 2.786 20 30 FFEDMM N#Cc1c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)sc2c1CCC2 ZINC001155221708 1028629603 /nfs/dbraw/zinc/62/96/03/1028629603.db2.gz GPFNBSJWRVNSID-UHFFFAOYSA-N -1 1 368.370 2.878 20 30 FFEDMM N#CC1(CNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CCC1 ZINC000841466675 1030310345 /nfs/dbraw/zinc/31/03/45/1030310345.db2.gz DWJPNTJNWHRACP-UHFFFAOYSA-N -1 1 371.315 2.927 20 30 FFEDMM C=C1CN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001166322033 1030361763 /nfs/dbraw/zinc/36/17/63/1030361763.db2.gz STYOYJIPMJZLFU-UHFFFAOYSA-N -1 1 360.410 2.567 20 30 FFEDMM Cc1nc([C@H]2CCCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000796761770 1030909684 /nfs/dbraw/zinc/90/96/84/1030909684.db2.gz LWVAUKZKPAFPMC-STQMWFEESA-N -1 1 370.434 2.702 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)C1CCOCC1 ZINC001143012666 1031154168 /nfs/dbraw/zinc/15/41/68/1031154168.db2.gz GGBOFIOGUNLZPL-VCHYOVAHSA-N -1 1 358.423 2.587 20 30 FFEDMM O=c1[n-]c(=S)[nH]c(Nc2cnn(C3COC3)c2)c1N=Cc1ccccc1 ZINC001205549994 1031827913 /nfs/dbraw/zinc/82/79/13/1031827913.db2.gz XKPLVMFHOWGTOW-NGYBGAFCSA-N -1 1 368.422 2.733 20 30 FFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2coc3c2C(=O)CCC3)c1 ZINC000835061793 1035497561 /nfs/dbraw/zinc/49/75/61/1035497561.db2.gz OONUOMPDRQVRIF-CYBMUJFWSA-N -1 1 352.346 2.768 20 30 FFEDMM COC(=O)C1=C[C@H](Oc2cc(C#N)ccc2O)C[N@@H+](Cc2ccccc2)C1 ZINC001227349577 1035514699 /nfs/dbraw/zinc/51/46/99/1035514699.db2.gz HRINPDLUEADDPG-SFHVURJKSA-N -1 1 364.401 2.626 20 30 FFEDMM C=C1O[C@@H](C)C(=O)C1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580289 1035616874 /nfs/dbraw/zinc/61/68/74/1035616874.db2.gz LHXOXFYLXSJRAL-VIFPVBQESA-N -1 1 350.326 2.766 20 30 FFEDMM C[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227619791 1035642711 /nfs/dbraw/zinc/64/27/11/1035642711.db2.gz WBGYQXVLFIZCRS-SECBINFHSA-N -1 1 353.290 2.912 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([O-])ccc2C#N)[C@H]2OCC[C@@H]21 ZINC001228005860 1035868531 /nfs/dbraw/zinc/86/85/31/1035868531.db2.gz TYSVWRGWUUXESU-UXLLHSPISA-N -1 1 360.410 2.810 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2Cl)[C@@H](C#N)C1 ZINC001232784823 1036027203 /nfs/dbraw/zinc/02/72/03/1036027203.db2.gz UWXIEDGDGRXSEJ-ZDUSSCGKSA-N -1 1 351.834 2.990 20 30 FFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)c(OC[C@H]2COCCO2)c1 ZINC001229209882 1036554169 /nfs/dbraw/zinc/55/41/69/1036554169.db2.gz YFHWJXBSVCKNEP-HFTHVURISA-N -1 1 370.357 2.508 20 30 FFEDMM O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])cc1O[C@H]1CCS(=O)(=O)C1 ZINC001229271235 1036592096 /nfs/dbraw/zinc/59/20/96/1036592096.db2.gz WGUWTEKJFNRSHE-ICFOYXHFSA-N -1 1 374.414 2.560 20 30 FFEDMM O=C(/C=C/c1ccc(O)c(O)c1)c1ccc([O-])cc1O[C@@H]1COC[C@H]1F ZINC001229587165 1036763560 /nfs/dbraw/zinc/76/35/60/1036763560.db2.gz RSNBMDQOMLFCEB-QKIBYVRUSA-N -1 1 360.337 2.815 20 30 FFEDMM C=CCC[C@H](CO)NC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836745318 1036801779 /nfs/dbraw/zinc/80/17/79/1036801779.db2.gz MMJFWNNJXFNWLA-CYBMUJFWSA-N -1 1 373.375 2.622 20 30 FFEDMM C[C@@H](CON)Oc1c(Br)cc(Br)cc1C=N[O-] ZINC001231325066 1037534852 /nfs/dbraw/zinc/53/48/52/1037534852.db2.gz WDJOGLJIOLKGDN-LURJTMIESA-N -1 1 368.025 2.677 20 30 FFEDMM COc1ncc(-c2ccnc3ccc(C#N)cc32)cc1[N-]S(C)(=O)=O ZINC001244793806 1038782117 /nfs/dbraw/zinc/78/21/17/1038782117.db2.gz JSFAXRKCFZGZRQ-UHFFFAOYSA-N -1 1 354.391 2.549 20 30 FFEDMM COc1ncc(-c2ccc3c(C#N)nccc3c2)cc1[N-]S(C)(=O)=O ZINC001244795709 1038783070 /nfs/dbraw/zinc/78/30/70/1038783070.db2.gz JJCLJXZOGPBAFJ-UHFFFAOYSA-N -1 1 354.391 2.549 20 30 FFEDMM Cc1c(Br)nccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258045586 1039142373 /nfs/dbraw/zinc/14/23/73/1039142373.db2.gz OROMIUCGOGCUCP-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM Cc1cn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2F)cn1 ZINC001258132995 1039210778 /nfs/dbraw/zinc/21/07/78/1039210778.db2.gz UVTBNHBRXLAZPT-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM CCOC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258135538 1039212817 /nfs/dbraw/zinc/21/28/17/1039212817.db2.gz BBJNDWPQUYXLRL-UHFFFAOYSA-N -1 1 358.419 2.855 20 30 FFEDMM COc1cc(C#N)cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC001258973912 1039630020 /nfs/dbraw/zinc/63/00/20/1039630020.db2.gz FZNYEVSXHJBLLW-UGSOOPFHSA-N -1 1 362.451 2.704 20 30 FFEDMM COC(=O)c1cnc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2c1 ZINC001259125578 1039731174 /nfs/dbraw/zinc/73/11/74/1039731174.db2.gz JWXVTORTUOJFKG-UHFFFAOYSA-N -1 1 367.386 2.694 20 30 FFEDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC001259324876 1039913872 /nfs/dbraw/zinc/91/38/72/1039913872.db2.gz ZBVJECUZQVQUNG-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM O=C(/C=C/[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1)C(F)(F)F ZINC001260538209 1040643538 /nfs/dbraw/zinc/64/35/38/1040643538.db2.gz PWOLGABGZOTCOO-SOFGYWHQSA-N -1 1 362.354 2.734 20 30 FFEDMM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC001260672891 1040711626 /nfs/dbraw/zinc/71/16/26/1040711626.db2.gz HGHPPHISCFGTIX-UHFFFAOYSA-N -1 1 371.418 2.619 20 30 FFEDMM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC001260696168 1040728321 /nfs/dbraw/zinc/72/83/21/1040728321.db2.gz DRBOJUPDBNCEJK-HNNXBMFYSA-N -1 1 359.875 2.903 20 30 FFEDMM CC(C)c1ccc(S(=O)(=O)[N-]c2nc(C#N)c(C#N)nc2Cl)cc1 ZINC001255281502 1041248982 /nfs/dbraw/zinc/24/89/82/1041248982.db2.gz XSDKHCXPEOBRBA-UHFFFAOYSA-N -1 1 361.814 2.798 20 30 FFEDMM C#Cc1cccc(NC(=O)N[C@H](CC(C)C)c2n[n-]c(C(=O)OCC)n2)c1 ZINC001214232081 1041319822 /nfs/dbraw/zinc/31/98/22/1041319822.db2.gz HHDUXYBOFZGLGA-OAHLLOKOSA-N -1 1 369.425 2.872 20 30 FFEDMM C#Cc1cccc(NC(=O)N[C@H](CC(C)C)c2nnc(C(=O)OCC)[n-]2)c1 ZINC001214232081 1041319835 /nfs/dbraw/zinc/31/98/35/1041319835.db2.gz HHDUXYBOFZGLGA-OAHLLOKOSA-N -1 1 369.425 2.872 20 30 FFEDMM C#Cc1cccc(NC(=O)N[C@H](CC(C)C)c2nc(C(=O)OCC)n[n-]2)c1 ZINC001214232081 1041319844 /nfs/dbraw/zinc/31/98/44/1041319844.db2.gz HHDUXYBOFZGLGA-OAHLLOKOSA-N -1 1 369.425 2.872 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001263288447 1042223633 /nfs/dbraw/zinc/22/36/33/1042223633.db2.gz SKMDMTBXHKMZCY-UWVGGRQHSA-N -1 1 353.883 2.623 20 30 FFEDMM COc1ccc2ccccc2c1CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001309838258 1043549610 /nfs/dbraw/zinc/54/96/10/1043549610.db2.gz FDWJPRNGTVXEOZ-UHFFFAOYSA-N -1 1 356.403 2.834 20 30 FFEDMM Cc1c2cc(F)ccc2oc1C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001318058333 1045203618 /nfs/dbraw/zinc/20/36/18/1045203618.db2.gz RPWAGWRUHQNATB-UHFFFAOYSA-N -1 1 358.350 2.759 20 30 FFEDMM C[C@@H](C(=O)N=C1[N-]S(=O)(=O)c2ccccc21)c1cn(C)c2ccccc12 ZINC001320392810 1045401078 /nfs/dbraw/zinc/40/10/78/1045401078.db2.gz AOJGQEUMCDRLEE-GFCCVEGCSA-N -1 1 367.430 2.547 20 30 FFEDMM N#Cc1cc(F)cc(C2(C(=O)OCC(=O)c3ccc([O-])cc3O)CC2)c1 ZINC001323698090 1045687538 /nfs/dbraw/zinc/68/75/38/1045687538.db2.gz ZGFLSDNTZIYCDJ-UHFFFAOYSA-N -1 1 355.321 2.566 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc(-n2cccn2)c1 ZINC001321539716 1045700571 /nfs/dbraw/zinc/70/05/71/1045700571.db2.gz ALEZYERTSWTUEW-UHFFFAOYSA-N -1 1 368.418 2.748 20 30 FFEDMM C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001282535103 1045799434 /nfs/dbraw/zinc/79/94/34/1045799434.db2.gz GYZDEUPVNOHZGY-BZUAXINKSA-N -1 1 359.470 2.604 20 30 FFEDMM C=CCC1(C(=O)N2C[C@@H]3CCN(C(=O)c4ncccc4[O-])[C@@H]3C2)CCCC1 ZINC001288937707 1047531675 /nfs/dbraw/zinc/53/16/75/1047531675.db2.gz TWPZZRTWIOVCQA-JKSUJKDBSA-N -1 1 369.465 2.597 20 30 FFEDMM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001295808681 1049988308 /nfs/dbraw/zinc/98/83/08/1049988308.db2.gz JMOZHSGAABZAGF-UHFFFAOYSA-N -1 1 364.373 2.519 20 30 FFEDMM N#Cc1ccc(F)c(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c1 ZINC001296141976 1050028633 /nfs/dbraw/zinc/02/86/33/1050028633.db2.gz OHNGQFHRNIRTFC-AWEZNQCLSA-N -1 1 374.738 2.522 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001339868855 1050286358 /nfs/dbraw/zinc/28/63/58/1050286358.db2.gz ZXWSGYGHLSCYHD-UHFFFAOYSA-N -1 1 361.759 2.681 20 30 FFEDMM CC1(CC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)COC1 ZINC001341837809 1050449810 /nfs/dbraw/zinc/44/98/10/1050449810.db2.gz KUSNOHSNRRFJQA-NSHDSACASA-N -1 1 357.435 2.879 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCO[C@@H](CCC)C1 ZINC001342278602 1050870138 /nfs/dbraw/zinc/87/01/38/1050870138.db2.gz IAOXOQMQMHJTMI-LBPRGKRZSA-N -1 1 363.849 2.890 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)Cc1cnn(CC)c1 ZINC001340599102 1050984135 /nfs/dbraw/zinc/98/41/35/1050984135.db2.gz KEMFZSUODUKXKE-UHFFFAOYSA-N -1 1 373.848 2.738 20 30 FFEDMM O=C(C#Cc1ccccc1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001301965127 1051021588 /nfs/dbraw/zinc/02/15/88/1051021588.db2.gz ZKVZQXYPKGHZJR-UHFFFAOYSA-N -1 1 354.837 2.742 20 30 FFEDMM C=C(C)CN(C)c1nnc(-c2cc(Cl)ncc2[O-])n1C[C@@H]1CCCO1 ZINC001343305973 1052150588 /nfs/dbraw/zinc/15/05/88/1052150588.db2.gz FTVPKKPDSLUBRL-LBPRGKRZSA-N -1 1 363.849 2.890 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001343314814 1052156309 /nfs/dbraw/zinc/15/63/09/1052156309.db2.gz HQQLFCOPTWPXAG-GFCCVEGCSA-N -1 1 365.869 2.687 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001343760045 1052405495 /nfs/dbraw/zinc/40/54/95/1052405495.db2.gz LTURWRJKWZRCSL-GOEBONIOSA-N -1 1 372.473 2.735 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)C[C@H]1CCOC1 ZINC001343873417 1052464338 /nfs/dbraw/zinc/46/43/38/1052464338.db2.gz XLHGWHIFVYFDCM-GFCCVEGCSA-N -1 1 363.849 2.748 20 30 FFEDMM N#Cc1cccc2c1CN(c1nnc(-c3nc(Cl)n[n-]3)n1CC1CC1)C2 ZINC001347788748 1054321075 /nfs/dbraw/zinc/32/10/75/1054321075.db2.gz NBCKFGCTYAXLSH-UHFFFAOYSA-N -1 1 366.816 2.518 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001351563390 1054902071 /nfs/dbraw/zinc/90/20/71/1054902071.db2.gz YBFYDSOGBIUVQB-RWMBFGLXSA-N -1 1 354.458 2.985 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC001356027941 1055227417 /nfs/dbraw/zinc/22/74/17/1055227417.db2.gz LKGVJHYYHVWIBU-HNNXBMFYSA-N -1 1 350.426 2.771 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCCc2ccccc2CC1 ZINC001356027562 1055228510 /nfs/dbraw/zinc/22/85/10/1055228510.db2.gz ITXUAIPXYVBVAT-UHFFFAOYSA-N -1 1 350.426 2.555 20 30 FFEDMM C#C[C@H]1CCCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2cccs2)C1 ZINC001518606076 1058437302 /nfs/dbraw/zinc/43/73/02/1058437302.db2.gz FYXIRFPRELSAKC-NSHDSACASA-N -1 1 373.873 2.676 20 30 FFEDMM Cn1cc(CNC(=O)c2ccc(F)c([O-])c2)c(-c2ccc(C#N)cc2)n1 ZINC001447595214 1058675343 /nfs/dbraw/zinc/67/53/43/1058675343.db2.gz LKINRTTVXWRLKE-UHFFFAOYSA-N -1 1 350.353 2.733 20 30 FFEDMM C#Cc1cccc(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC001451435959 1059114245 /nfs/dbraw/zinc/11/42/45/1059114245.db2.gz DXKXZPRVCWYGPO-UHFFFAOYSA-N -1 1 372.428 2.783 20 30 FFEDMM C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001515467446 1059671641 /nfs/dbraw/zinc/67/16/41/1059671641.db2.gz MRVNKSRHZPFCID-BFHYXJOUSA-N -1 1 370.457 2.823 20 30 FFEDMM N#C[C@@H](NC(=O)c1ccc(I)cc1[O-])C1CCCC1 ZINC001455208094 1059728450 /nfs/dbraw/zinc/72/84/50/1059728450.db2.gz IKLJKGCTBZZHNK-GFCCVEGCSA-N -1 1 370.190 2.809 20 30 FFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC001475317601 1061045637 /nfs/dbraw/zinc/04/56/37/1061045637.db2.gz GRTQWPUCQCOROX-OAHLLOKOSA-N -1 1 361.822 2.736 20 30 FFEDMM C=C(C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)c1ccccc1 ZINC001475364554 1061063490 /nfs/dbraw/zinc/06/34/90/1061063490.db2.gz PWCQGQUELYYEGZ-UHFFFAOYSA-N -1 1 367.373 2.743 20 30 FFEDMM COc1c([O-])c(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)ccc1[N+](=O)[O-] ZINC001462627858 1061699106 /nfs/dbraw/zinc/69/91/06/1061699106.db2.gz LWKFMIWLAZMDRA-QGZVFWFLSA-N -1 1 369.377 2.754 20 30 FFEDMM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1c[n-]nc1C(F)(F)F ZINC001463327752 1062053251 /nfs/dbraw/zinc/05/32/51/1062053251.db2.gz YTHWGWGYBSGUSB-UHFFFAOYSA-N -1 1 351.693 2.721 20 30 FFEDMM C=C1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(OCC)cc3)c2)C1 ZINC001584282803 1079333291 /nfs/dbraw/zinc/33/32/91/1079333291.db2.gz FZBPTWQUXHKYDO-UHFFFAOYSA-N -1 1 372.446 2.898 20 30 FFEDMM C=C[C@@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC001588700782 1079584116 /nfs/dbraw/zinc/58/41/16/1079584116.db2.gz LFKVJZMAIJFSQW-SNVBAGLBSA-N -1 1 351.571 2.673 20 30 FFEDMM C=C(C)CCC(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588409431 1080012444 /nfs/dbraw/zinc/01/24/44/1080012444.db2.gz CTZLFRAGLZPKOY-VIFPVBQESA-N -1 1 369.882 2.592 20 30 FFEDMM C=C(C)CCC(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588409431 1080012454 /nfs/dbraw/zinc/01/24/54/1080012454.db2.gz CTZLFRAGLZPKOY-VIFPVBQESA-N -1 1 369.882 2.592 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]1CC ZINC001588438461 1080029286 /nfs/dbraw/zinc/02/92/86/1080029286.db2.gz RAAJBOKGUJGKMN-ZDUSSCGKSA-N -1 1 354.418 2.673 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]1CC ZINC001588438461 1080029296 /nfs/dbraw/zinc/02/92/96/1080029296.db2.gz RAAJBOKGUJGKMN-ZDUSSCGKSA-N -1 1 354.418 2.673 20 30 FFEDMM C=CCCC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001588595097 1080117435 /nfs/dbraw/zinc/11/74/35/1080117435.db2.gz YGABKUAPMNXSOY-HNNXBMFYSA-N -1 1 366.425 2.919 20 30 FFEDMM C=CCCC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001588595097 1080117439 /nfs/dbraw/zinc/11/74/39/1080117439.db2.gz YGABKUAPMNXSOY-HNNXBMFYSA-N -1 1 366.425 2.919 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC001588623193 1080125253 /nfs/dbraw/zinc/12/52/53/1080125253.db2.gz LKJIUIOZSYDHNF-KRWDZBQOSA-N -1 1 360.454 2.759 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cn3ccccc3n2)o1 ZINC001588781628 1080193035 /nfs/dbraw/zinc/19/30/35/1080193035.db2.gz HAZQCSFWYLQGSQ-UHFFFAOYSA-N -1 1 365.401 2.537 20 30 FFEDMM CC(C)(CNc1cnc(C#N)c(-c2nn[n-]n2)n1)Cc1cccc(Cl)c1 ZINC001589292387 1080467623 /nfs/dbraw/zinc/46/76/23/1080467623.db2.gz LRYGMEBPVSDXJX-UHFFFAOYSA-N -1 1 368.832 2.863 20 30 FFEDMM CC(C)(Cc1ccc(C#N)cc1)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589307385 1080475006 /nfs/dbraw/zinc/47/50/06/1080475006.db2.gz WBFRRVDYWQIPJY-UHFFFAOYSA-N -1 1 360.425 2.839 20 30 FFEDMM CC(C)(Cc1ccc(C#N)cc1)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589307385 1080475009 /nfs/dbraw/zinc/47/50/09/1080475009.db2.gz WBFRRVDYWQIPJY-UHFFFAOYSA-N -1 1 360.425 2.839 20 30 FFEDMM CC(C)CCn1ncc(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)c1C(C)C ZINC001589614541 1080635522 /nfs/dbraw/zinc/63/55/22/1080635522.db2.gz VWVBCOCUUFWXQR-UHFFFAOYSA-N -1 1 366.433 2.638 20 30 FFEDMM CC(C)CCn1ncc(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)c1C(C)C ZINC001589614541 1080635524 /nfs/dbraw/zinc/63/55/24/1080635524.db2.gz VWVBCOCUUFWXQR-UHFFFAOYSA-N -1 1 366.433 2.638 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3cc(N)ccc32)o1 ZINC001589773743 1080728995 /nfs/dbraw/zinc/72/89/95/1080728995.db2.gz KWUMZMYEWMGOIL-UHFFFAOYSA-N -1 1 352.402 2.713 20 30 FFEDMM C[C@@H](Cc1ccccc1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589899561 1080847349 /nfs/dbraw/zinc/84/73/49/1080847349.db2.gz KZFLLTNIPPPGNH-VIFPVBQESA-N -1 1 374.330 2.590 20 30 FFEDMM C[C@@H](Cc1ccccc1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589899561 1080847354 /nfs/dbraw/zinc/84/73/54/1080847354.db2.gz KZFLLTNIPPPGNH-VIFPVBQESA-N -1 1 374.330 2.590 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(=O)[n-]1 ZINC000012832404 249317789 /nfs/dbraw/zinc/31/77/89/249317789.db2.gz ASZGZAOYNBCWAT-UHFFFAOYSA-N -1 1 362.842 2.897 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1Cl ZINC000117739693 250358612 /nfs/dbraw/zinc/35/86/12/250358612.db2.gz MWPFXILBRSDUOU-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM Cc1cccc(CC2(O)CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000332192667 258218252 /nfs/dbraw/zinc/21/82/52/258218252.db2.gz PSQPLVFVJKPEDL-UHFFFAOYSA-N -1 1 350.418 2.782 20 30 FFEDMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055580850 506786551 /nfs/dbraw/zinc/78/65/51/506786551.db2.gz IXOXTZOYQUDIDR-UHFFFAOYSA-N -1 1 364.814 2.764 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2C[C@@H]1C ZINC000028678907 507736903 /nfs/dbraw/zinc/73/69/03/507736903.db2.gz ILXLMZVSERUDPT-LBPRGKRZSA-N -1 1 355.419 2.657 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)C#N)cc2)cc1 ZINC000078598157 507887094 /nfs/dbraw/zinc/88/70/94/507887094.db2.gz DQNOREICSUVBBE-CQSZACIVSA-N -1 1 357.435 2.685 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)CCC#N)cc1 ZINC000078914541 507916465 /nfs/dbraw/zinc/91/64/65/507916465.db2.gz PJYLPMWIGGCVHF-UHFFFAOYSA-N -1 1 357.435 2.782 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000112850775 508226428 /nfs/dbraw/zinc/22/64/28/508226428.db2.gz XBHHIKDCTSCBGY-UHFFFAOYSA-N -1 1 355.419 2.885 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1F ZINC000076839272 508257568 /nfs/dbraw/zinc/25/75/68/508257568.db2.gz OHUREFXIUREYOZ-UHFFFAOYSA-N -1 1 359.382 2.625 20 30 FFEDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000076936104 508263877 /nfs/dbraw/zinc/26/38/77/508263877.db2.gz NTCOIWROARIWQC-UHFFFAOYSA-N -1 1 357.435 2.726 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000076937350 508264508 /nfs/dbraw/zinc/26/45/08/508264508.db2.gz ZHOITVZAVSQRPC-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1 ZINC000114673337 508335501 /nfs/dbraw/zinc/33/55/01/508335501.db2.gz PWSIUOIVMGUJQL-UHFFFAOYSA-N -1 1 369.446 2.904 20 30 FFEDMM COc1cc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1F ZINC000122027015 508469683 /nfs/dbraw/zinc/46/96/83/508469683.db2.gz DOKZNDMQFKQJHV-UHFFFAOYSA-N -1 1 369.305 2.554 20 30 FFEDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1OC ZINC000158155487 508665172 /nfs/dbraw/zinc/66/51/72/508665172.db2.gz SFWFZACFBXIZJF-UHFFFAOYSA-N -1 1 354.334 2.654 20 30 FFEDMM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000158196912 508670168 /nfs/dbraw/zinc/67/01/68/508670168.db2.gz RBKAVQUSOGNNMQ-UHFFFAOYSA-N -1 1 358.419 2.855 20 30 FFEDMM N#CC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000147259160 508856971 /nfs/dbraw/zinc/85/69/71/508856971.db2.gz URTQCYFASQTPRY-UHFFFAOYSA-N -1 1 369.446 2.863 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)C#N)c2)c1 ZINC000125705753 509019701 /nfs/dbraw/zinc/01/97/01/509019701.db2.gz GZOIDDKUEQCRFK-AWEZNQCLSA-N -1 1 357.435 2.746 20 30 FFEDMM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000155586963 509031917 /nfs/dbraw/zinc/03/19/17/509031917.db2.gz LUPVXAMFEXDLOV-AWEZNQCLSA-N -1 1 373.416 2.558 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1noc(-c2ccccc2)n1 ZINC000126589910 509099842 /nfs/dbraw/zinc/09/98/42/509099842.db2.gz DTZVSMILSUDUCE-GFCCVEGCSA-N -1 1 354.391 2.648 20 30 FFEDMM COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188913326 509321813 /nfs/dbraw/zinc/32/18/13/509321813.db2.gz LURZVHWOVSBDHV-UHFFFAOYSA-N -1 1 352.390 2.859 20 30 FFEDMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000176205568 509377200 /nfs/dbraw/zinc/37/72/00/509377200.db2.gz HNKPGOLLAYDTJZ-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1[O-] ZINC000189877439 509804194 /nfs/dbraw/zinc/80/41/94/509804194.db2.gz AVNOOMQTHPFFHK-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000174740934 510285449 /nfs/dbraw/zinc/28/54/49/510285449.db2.gz HHIQCLQYLFFGSQ-OAQYLSRUSA-N -1 1 354.840 2.750 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000177990530 510363552 /nfs/dbraw/zinc/36/35/52/510363552.db2.gz AOKXSCOLFXZKMZ-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cccc1N1CCNC1=O ZINC000190949061 510428135 /nfs/dbraw/zinc/42/81/35/510428135.db2.gz JGLSTFNPAWCTOS-HNNXBMFYSA-N -1 1 371.400 2.958 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1[O-] ZINC000187775118 510429040 /nfs/dbraw/zinc/42/90/40/510429040.db2.gz VFBGIOQEILGUIB-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM COc1ccc(CCNC(=O)c2ccc(C#N)c([O-])c2)cc1OC(F)F ZINC000187907452 510497337 /nfs/dbraw/zinc/49/73/37/510497337.db2.gz YGFNTFOBZGNJDO-UHFFFAOYSA-N -1 1 362.332 2.846 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccncc3)cc2)cc1[O-] ZINC000191156569 510527660 /nfs/dbraw/zinc/52/76/60/510527660.db2.gz VSHHXVIVCAPKJO-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1F ZINC000184867316 510556157 /nfs/dbraw/zinc/55/61/57/510556157.db2.gz PPBNJKVMHQBTLS-UHFFFAOYSA-N -1 1 354.334 2.654 20 30 FFEDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000195066876 510656809 /nfs/dbraw/zinc/65/68/09/510656809.db2.gz OVHAHXDMLASVGP-XYEKJYRLSA-N -1 1 362.499 2.744 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C(=O)OC(C)(C)C)c2)c(=O)o1 ZINC000272064593 511418339 /nfs/dbraw/zinc/41/83/39/511418339.db2.gz AMQNOGGYNSHLGZ-KBOKABMXSA-N -1 1 356.374 2.870 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(C#N)C2)cc1 ZINC000280414456 511457555 /nfs/dbraw/zinc/45/75/55/511457555.db2.gz IFQZPQAHBAUZHX-UHFFFAOYSA-N -1 1 369.446 2.782 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000280754971 511589749 /nfs/dbraw/zinc/58/97/49/511589749.db2.gz MTMDSSTWJBSCPM-KOLCDFICSA-N -1 1 366.302 2.770 20 30 FFEDMM C#CCN(Cc1ccc(F)cc1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000299409080 511625073 /nfs/dbraw/zinc/62/50/73/511625073.db2.gz QBLJVDORAKJQAG-UHFFFAOYSA-N -1 1 373.453 2.946 20 30 FFEDMM COC(=O)c1c[n-]c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000274869822 511970462 /nfs/dbraw/zinc/97/04/62/511970462.db2.gz ALPVEPOZGZGDFI-UHFFFAOYSA-N -1 1 372.450 2.852 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(F)cc1Br ZINC000385563882 512886559 /nfs/dbraw/zinc/88/65/59/512886559.db2.gz QOLQMKAFQAEGDT-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM C=C(C)C[C@H](C)C(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000447682938 513541910 /nfs/dbraw/zinc/54/19/10/513541910.db2.gz LLNAYOSBUGSWIZ-ZDUSSCGKSA-N -1 1 356.426 2.867 20 30 FFEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccco1 ZINC000451266043 513638035 /nfs/dbraw/zinc/63/80/35/513638035.db2.gz DPBBLCPVSXPIQJ-ZDUSSCGKSA-N -1 1 354.815 2.665 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc1[O-] ZINC000430463751 513659390 /nfs/dbraw/zinc/65/93/90/513659390.db2.gz BOINMOWLHNRCPS-TZIWHRDSSA-N -1 1 368.408 2.907 20 30 FFEDMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435719987 513666737 /nfs/dbraw/zinc/66/67/37/513666737.db2.gz SOZABEVDCZKTAY-ZDUSSCGKSA-N -1 1 373.434 2.641 20 30 FFEDMM COc1cc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc(OC)c1OC ZINC000442858262 513798226 /nfs/dbraw/zinc/79/82/26/513798226.db2.gz OWJOPDBGBCTQHD-LLVKDONJSA-N -1 1 356.378 2.781 20 30 FFEDMM Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F ZINC000443275553 513917951 /nfs/dbraw/zinc/91/79/51/513917951.db2.gz PQTDHWHGJAGWBW-AWEZNQCLSA-N -1 1 352.316 2.648 20 30 FFEDMM N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(O)cc3[O-])ccc21 ZINC000436837769 514001601 /nfs/dbraw/zinc/00/16/01/514001601.db2.gz HQYCQIBWCHYSTA-UHFFFAOYSA-N -1 1 365.389 2.933 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000424217129 514420902 /nfs/dbraw/zinc/42/09/02/514420902.db2.gz XOVWNBIIAGHRSF-ZCFIWIBFSA-N -1 1 357.151 2.550 20 30 FFEDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000476273437 514977423 /nfs/dbraw/zinc/97/74/23/514977423.db2.gz HDDGOJUVRQALIU-UHFFFAOYSA-N -1 1 358.419 2.957 20 30 FFEDMM CC#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000498610781 514994987 /nfs/dbraw/zinc/99/49/87/514994987.db2.gz TZLBJQGMSWUCLZ-UHFFFAOYSA-N -1 1 360.410 2.770 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000509611803 515257318 /nfs/dbraw/zinc/25/73/18/515257318.db2.gz UKZHWMSQQNGDLU-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cc1[O-] ZINC000462926350 515303386 /nfs/dbraw/zinc/30/33/86/515303386.db2.gz OYAJWNCMTDTKGC-NRFANRHFSA-N -1 1 350.418 2.721 20 30 FFEDMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000477458529 515465186 /nfs/dbraw/zinc/46/51/86/515465186.db2.gz SWTSUOWLTUFOMU-HNNXBMFYSA-N -1 1 364.467 2.683 20 30 FFEDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1OC ZINC000463529593 515534729 /nfs/dbraw/zinc/53/47/29/515534729.db2.gz XAVGOLQQSPOMSV-UHFFFAOYSA-N -1 1 366.370 2.524 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)c(F)c2)o1 ZINC000464641014 515905812 /nfs/dbraw/zinc/90/58/12/515905812.db2.gz BHZKAGBQVUOTIR-UHFFFAOYSA-N -1 1 365.386 2.619 20 30 FFEDMM CCc1[n-][nH]c(=NC(=O)c2ccc(Cl)c(C#N)c2)c1Br ZINC000543646732 516346035 /nfs/dbraw/zinc/34/60/35/516346035.db2.gz OBRGKXRUWCUQJX-UHFFFAOYSA-N -1 1 353.607 2.934 20 30 FFEDMM C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000551384858 516685144 /nfs/dbraw/zinc/68/51/44/516685144.db2.gz CLMZRSTYICTIJG-YFKPBYRVSA-N -1 1 358.044 2.946 20 30 FFEDMM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)o1 ZINC000532761813 517133626 /nfs/dbraw/zinc/13/36/26/517133626.db2.gz PRCCHHJTIRKGEP-JQWIXIFHSA-N -1 1 361.379 2.661 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1Cl ZINC000559840864 517449828 /nfs/dbraw/zinc/44/98/28/517449828.db2.gz RANCZJHSYRXQJE-UHFFFAOYSA-N -1 1 350.709 2.754 20 30 FFEDMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1F ZINC000527028503 517461664 /nfs/dbraw/zinc/46/16/64/517461664.db2.gz XUSZKDWXMUYREI-UHFFFAOYSA-N -1 1 370.308 2.563 20 30 FFEDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000581510075 518320953 /nfs/dbraw/zinc/32/09/53/518320953.db2.gz DXJZQJXQMKQTQS-UHFFFAOYSA-N -1 1 357.435 2.645 20 30 FFEDMM C[C@H](NC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C1CC1 ZINC000581642139 518383867 /nfs/dbraw/zinc/38/38/67/518383867.db2.gz IDAHWOWFLCEKSD-JOYOIKCWSA-N -1 1 356.451 2.798 20 30 FFEDMM N#Cc1cc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ncn1 ZINC000579667886 518790526 /nfs/dbraw/zinc/79/05/26/518790526.db2.gz GUTWSOIJHKVJTJ-UHFFFAOYSA-N -1 1 352.375 2.941 20 30 FFEDMM COc1cccc([C@@H](NC(=O)c2cc([O-])cc(C#N)c2)c2nccn2C)c1 ZINC000589166641 518937190 /nfs/dbraw/zinc/93/71/90/518937190.db2.gz XRWYASGGZXHZFC-GOSISDBHSA-N -1 1 362.389 2.525 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)c1 ZINC000589179923 518941983 /nfs/dbraw/zinc/94/19/83/518941983.db2.gz ITFFUZOQVXAHSM-OAHLLOKOSA-N -1 1 371.387 2.936 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000589198225 518947574 /nfs/dbraw/zinc/94/75/74/518947574.db2.gz UONVZDBQVDSQDO-HNNXBMFYSA-N -1 1 350.296 2.746 20 30 FFEDMM COC(=O)CCSc1ncccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589844966 519092532 /nfs/dbraw/zinc/09/25/32/519092532.db2.gz HLDRXHGXOOCPTO-UHFFFAOYSA-N -1 1 357.391 2.566 20 30 FFEDMM C[C@@]1(C#N)CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000612397377 519937704 /nfs/dbraw/zinc/93/77/04/519937704.db2.gz KCXOSIRRRLTPBM-AWEZNQCLSA-N -1 1 370.190 2.763 20 30 FFEDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)C1CCCCCC1 ZINC000594481952 519990624 /nfs/dbraw/zinc/99/06/24/519990624.db2.gz KVFKXBGZXVDGNT-HNNXBMFYSA-N -1 1 356.488 2.502 20 30 FFEDMM C[C@@H](C#N)N(C(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000598131748 520444315 /nfs/dbraw/zinc/44/43/15/520444315.db2.gz CCHQMCBJRJJOSF-QMMMGPOBSA-N -1 1 356.163 2.513 20 30 FFEDMM C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000610083330 520533928 /nfs/dbraw/zinc/53/39/28/520533928.db2.gz WVBTXGSHDBJDLK-RHSMWYFYSA-N -1 1 373.453 2.811 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)cc1[O-] ZINC000598508368 520666410 /nfs/dbraw/zinc/66/64/10/520666410.db2.gz HEDORHPRESPOLE-IBGZPJMESA-N -1 1 366.417 2.889 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000614293759 520895417 /nfs/dbraw/zinc/89/54/17/520895417.db2.gz ZQMKUXXABILYFV-UHFFFAOYSA-N -1 1 358.781 2.661 20 30 FFEDMM CSCC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nnc2ccccn21 ZINC000614357836 520925016 /nfs/dbraw/zinc/92/50/16/520925016.db2.gz INNYUFLZRDEKND-HNNXBMFYSA-N -1 1 367.434 2.531 20 30 FFEDMM Cc1cccc(NC(=O)N2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000614368418 520930033 /nfs/dbraw/zinc/93/00/33/520930033.db2.gz OFSPNWKWQRAQHY-UHFFFAOYSA-N -1 1 364.405 2.562 20 30 FFEDMM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000618716356 521195808 /nfs/dbraw/zinc/19/58/08/521195808.db2.gz KKWGSQOMGXAIOL-HNNXBMFYSA-N -1 1 352.337 2.941 20 30 FFEDMM COC(=O)c1cc(C(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)on1 ZINC000611584774 521238228 /nfs/dbraw/zinc/23/82/28/521238228.db2.gz BMQUHLXQYFOYKY-UHFFFAOYSA-N -1 1 368.374 2.632 20 30 FFEDMM COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000615481096 521419894 /nfs/dbraw/zinc/41/98/94/521419894.db2.gz INNHBYBPYNGQAP-KRWDZBQOSA-N -1 1 352.390 2.934 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cc1[O-] ZINC000628734463 521755442 /nfs/dbraw/zinc/75/54/42/521755442.db2.gz KPRDCPNLACATAD-NRFANRHFSA-N -1 1 362.385 2.904 20 30 FFEDMM N#CC(=C([O-])c1cn2c(n1)COCC2)c1nc2ccccc2n1C(F)F ZINC000626300010 522090209 /nfs/dbraw/zinc/09/02/09/522090209.db2.gz JGVGIRHTSGFZIE-JTQLQIEISA-N -1 1 357.320 2.648 20 30 FFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1ccn(CCc2ccncc2)[nH]1 ZINC000470878307 560992636 /nfs/dbraw/zinc/99/26/36/560992636.db2.gz WOBGCZBGAAUWSE-LJQANCHMSA-N -1 1 370.416 2.713 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000541140657 562604185 /nfs/dbraw/zinc/60/41/85/562604185.db2.gz MICOLCXDCZNRBW-UHFFFAOYSA-N -1 1 356.729 2.886 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822016402 607255063 /nfs/dbraw/zinc/25/50/63/607255063.db2.gz ZZWZWZYQOSMFAB-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817733674 597071500 /nfs/dbraw/zinc/07/15/00/597071500.db2.gz QOOXRNLGHSNJIM-LSDHHAIUSA-N -1 1 361.417 2.648 20 30 FFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000819811650 597662849 /nfs/dbraw/zinc/66/28/49/597662849.db2.gz TUWGXAKBLPKOOD-IFXJQAMLSA-N -1 1 373.457 2.563 20 30 FFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000819811626 598230022 /nfs/dbraw/zinc/23/00/22/598230022.db2.gz SKEASCSVXCWUIT-GUYCJALGSA-N -1 1 360.801 2.884 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(N(C)C)c(F)c2)o1 ZINC000735850775 598494869 /nfs/dbraw/zinc/49/48/69/598494869.db2.gz HOGIIDJFMCOQKL-UHFFFAOYSA-N -1 1 372.408 2.704 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCOc3ccc(F)cc32)o1 ZINC000735939770 598584669 /nfs/dbraw/zinc/58/46/69/598584669.db2.gz SISDRTPQSLNJBO-UHFFFAOYSA-N -1 1 357.349 2.716 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc3ccc(Cl)cn23)o1 ZINC000735939453 599533922 /nfs/dbraw/zinc/53/39/22/599533922.db2.gz QCUUYEZPFFQBGP-UHFFFAOYSA-N -1 1 371.792 2.725 20 30 FFEDMM N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000739105331 600564229 /nfs/dbraw/zinc/56/42/29/600564229.db2.gz KJUHOTQHXKEBOT-IBGZPJMESA-N -1 1 364.401 2.984 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738619087 601850727 /nfs/dbraw/zinc/85/07/27/601850727.db2.gz XEUAOOWCIXCCJH-DLBZAZTESA-N -1 1 372.469 2.644 20 30 FFEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(O[C@@H]2CCOC2)c1 ZINC000832933397 602149707 /nfs/dbraw/zinc/14/97/07/602149707.db2.gz ADNIWIIJDKJIEJ-UYAOXDASSA-N -1 1 366.417 2.950 20 30 FFEDMM C=CCc1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000823937247 607575964 /nfs/dbraw/zinc/57/59/64/607575964.db2.gz OAMKKHHAWFCPST-UHFFFAOYSA-N -1 1 360.370 2.502 20 30 FFEDMM C=CCc1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000823937247 607575965 /nfs/dbraw/zinc/57/59/65/607575965.db2.gz OAMKKHHAWFCPST-UHFFFAOYSA-N -1 1 360.370 2.502 20 30 FFEDMM Cc1cc(C(C#N)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)nc(C)n1 ZINC000829981519 604219434 /nfs/dbraw/zinc/21/94/34/604219434.db2.gz XYFMTGUAGQXGKU-YLQAJVPDSA-N -1 1 352.394 2.915 20 30 FFEDMM C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823473572 604226913 /nfs/dbraw/zinc/22/69/13/604226913.db2.gz GLBBQKAECOACFB-HNNXBMFYSA-N -1 1 351.491 2.654 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(C=NNc2ccc(C(=O)[O-])cn2)cn1 ZINC000763372355 604669049 /nfs/dbraw/zinc/66/90/49/604669049.db2.gz WRSCGGYFZKLJKZ-UHFFFAOYSA-N -1 1 357.370 2.968 20 30 FFEDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000779843630 605597151 /nfs/dbraw/zinc/59/71/51/605597151.db2.gz BDINKFLQMSITQU-LBPRGKRZSA-N -1 1 360.391 2.785 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833402499 605598076 /nfs/dbraw/zinc/59/80/76/605598076.db2.gz ODRUJUMNTMWTOF-SNVBAGLBSA-N -1 1 364.354 2.616 20 30 FFEDMM C#CCOc1cccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819709883 606178052 /nfs/dbraw/zinc/17/80/52/606178052.db2.gz SMMURLWXLBPHNY-NSHDSACASA-N -1 1 354.391 2.858 20 30 FFEDMM C#CCOc1cccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819709883 606178053 /nfs/dbraw/zinc/17/80/53/606178053.db2.gz SMMURLWXLBPHNY-NSHDSACASA-N -1 1 354.391 2.858 20 30 FFEDMM C#CCOc1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819709977 606178438 /nfs/dbraw/zinc/17/84/38/606178438.db2.gz VFKFEQNTIDVDSN-NSHDSACASA-N -1 1 354.391 2.858 20 30 FFEDMM C#CCOc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819709977 606178440 /nfs/dbraw/zinc/17/84/40/606178440.db2.gz VFKFEQNTIDVDSN-NSHDSACASA-N -1 1 354.391 2.858 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2nc3cc(Cl)ccc3n2C)o1 ZINC000819783450 606433488 /nfs/dbraw/zinc/43/34/88/606433488.db2.gz XQDSVSYKGGFCDC-UHFFFAOYSA-N -1 1 371.792 2.539 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2nc(-c3ccccc3)cs2)o1 ZINC000826323215 607887001 /nfs/dbraw/zinc/88/70/01/607887001.db2.gz VHRSWHSRQBKLTI-UHFFFAOYSA-N -1 1 352.383 2.733 20 30 FFEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(-c2ccncc2)n1 ZINC000826359271 608092981 /nfs/dbraw/zinc/09/29/81/608092981.db2.gz BFUVMYCPEFYNAM-IHWYPQMZSA-N -1 1 363.406 2.620 20 30 FFEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(-c2ccncc2)n1 ZINC000826359271 608092982 /nfs/dbraw/zinc/09/29/82/608092982.db2.gz BFUVMYCPEFYNAM-IHWYPQMZSA-N -1 1 363.406 2.620 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(C(=O)OC(C)(C)C)c2)o1 ZINC000826323202 609304745 /nfs/dbraw/zinc/30/47/45/609304745.db2.gz UWHVVNKSFXHGIE-UHFFFAOYSA-N -1 1 369.385 2.564 20 30 FFEDMM Cc1cccnc1CC(=N[N-]S(=O)(=O)Cc1ccccc1)C(F)(F)F ZINC000746370815 735479304 /nfs/dbraw/zinc/47/93/04/735479304.db2.gz QEUTXQJVIKVRRB-UHFFFAOYSA-N -1 1 371.384 2.970 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2c(F)cccc2Cl)cc1 ZINC000746492038 735487820 /nfs/dbraw/zinc/48/78/20/735487820.db2.gz QEFXRAMBNDMSIU-UHFFFAOYSA-N -1 1 371.777 2.841 20 30 FFEDMM N#C[C@H](C(=O)Cc1ccoc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000122854511 728652429 /nfs/dbraw/zinc/65/24/29/728652429.db2.gz JSWIWMGPPIOUJL-GFCCVEGCSA-N -1 1 353.403 2.875 20 30 FFEDMM CC#CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000126474118 728703384 /nfs/dbraw/zinc/70/33/84/728703384.db2.gz JGMVJPQBAPVSNS-UHFFFAOYSA-N -1 1 364.373 2.519 20 30 FFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Br)cs1 ZINC000138828722 728740838 /nfs/dbraw/zinc/74/08/38/728740838.db2.gz HNJYNZMYHVWXGH-SECBINFHSA-N -1 1 350.197 2.867 20 30 FFEDMM C#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000170710540 728986664 /nfs/dbraw/zinc/98/66/64/728986664.db2.gz KIXPVDRQRBROFW-UHFFFAOYSA-N -1 1 351.330 2.556 20 30 FFEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCC#N)c1 ZINC000507963872 729927155 /nfs/dbraw/zinc/92/71/55/729927155.db2.gz FTOWANTZYVVCKU-UHFFFAOYSA-N -1 1 361.398 2.578 20 30 FFEDMM C#C[C@H](CC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000770377432 737619989 /nfs/dbraw/zinc/61/99/89/737619989.db2.gz VZZKUGFJGZWZHV-MRVPVSSYSA-N -1 1 354.628 2.932 20 30 FFEDMM C=C(C)[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)c1ccc(F)c(F)c1 ZINC000867122865 731146678 /nfs/dbraw/zinc/14/66/78/731146678.db2.gz RXUOFRWUPNFMKX-ZSEKCTLFSA-N -1 1 352.428 2.534 20 30 FFEDMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC000867303900 731167898 /nfs/dbraw/zinc/16/78/98/731167898.db2.gz GLWOHPRYIKHIJJ-HNNXBMFYSA-N -1 1 357.501 2.764 20 30 FFEDMM CC[C@@H](C#N)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315352 731618560 /nfs/dbraw/zinc/61/85/60/731618560.db2.gz BPJZEBKQKXCHCL-NWDGAFQWSA-N -1 1 353.344 2.735 20 30 FFEDMM O=C(c1ccc(Br)cc1[O-])N1CCC2(CC1)CC(=O)C=CO2 ZINC000887774943 733974619 /nfs/dbraw/zinc/97/46/19/733974619.db2.gz CPJDVVMJFIWQJY-UHFFFAOYSA-N -1 1 366.211 2.633 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(F)c(F)c(F)c1 ZINC000730433939 734636793 /nfs/dbraw/zinc/63/67/93/734636793.db2.gz WHKWVGWLMDRVBG-UHFFFAOYSA-N -1 1 353.325 2.567 20 30 FFEDMM C=CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccncc1 ZINC000734503559 734900672 /nfs/dbraw/zinc/90/06/72/734900672.db2.gz KIKGCMHSTTWZBE-ZDUSSCGKSA-N -1 1 351.359 2.725 20 30 FFEDMM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895166481 734970302 /nfs/dbraw/zinc/97/03/02/734970302.db2.gz RGAFSXBVCDHRIY-QGZVFWFLSA-N -1 1 362.861 2.671 20 30 FFEDMM CC(C)(C)c1ncc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000748248594 735630217 /nfs/dbraw/zinc/63/02/17/735630217.db2.gz SFEFWVASLXJXIV-UHFFFAOYSA-N -1 1 368.440 2.661 20 30 FFEDMM Cn1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000749861328 735755972 /nfs/dbraw/zinc/75/59/72/735755972.db2.gz OCZPIPDJDCSHTR-UHFFFAOYSA-N -1 1 361.452 2.728 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000757597804 736412134 /nfs/dbraw/zinc/41/21/34/736412134.db2.gz UEBADZGZVBLJHZ-GXFFZTMASA-N -1 1 365.817 2.534 20 30 FFEDMM CCCCCCCS(=O)(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908017727 736702961 /nfs/dbraw/zinc/70/29/61/736702961.db2.gz XEGDGDNBUUSDDQ-CYBMUJFWSA-N -1 1 357.476 2.628 20 30 FFEDMM C=C(Cl)C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909121658 736886737 /nfs/dbraw/zinc/88/67/37/736886737.db2.gz CAVMRTCQAHGVLJ-KBPBESRZSA-N -1 1 374.268 2.838 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000763279048 736922260 /nfs/dbraw/zinc/92/22/60/736922260.db2.gz HNLUDTDBZZAGRY-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM C#CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000764449248 737018662 /nfs/dbraw/zinc/01/86/62/737018662.db2.gz IZAPOMWOWZMSBS-UHFFFAOYSA-N -1 1 354.431 2.725 20 30 FFEDMM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1F ZINC000766546394 737240216 /nfs/dbraw/zinc/24/02/16/737240216.db2.gz FAHCJOJSTFGQNO-UHFFFAOYSA-N -1 1 363.370 2.985 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000769655626 737550912 /nfs/dbraw/zinc/55/09/12/737550912.db2.gz AVSCYHXVGXHCSK-OAHLLOKOSA-N -1 1 356.447 2.890 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2c([O-])cccc2Cl)[C@H](C#N)C1 ZINC000769958858 737586764 /nfs/dbraw/zinc/58/67/64/737586764.db2.gz VSOOXVRNFPXEDG-LLVKDONJSA-N -1 1 365.817 2.631 20 30 FFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000915041129 737603420 /nfs/dbraw/zinc/60/34/20/737603420.db2.gz MGQJIVQYDMBGFK-XFNZEKPQSA-N -1 1 368.402 2.670 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)C(C)C ZINC000915205227 737614061 /nfs/dbraw/zinc/61/40/61/737614061.db2.gz NNJDJQBMSXYSSK-YTEVENLXSA-N -1 1 368.402 2.526 20 30 FFEDMM CC[C@@]([N-]S(=O)(=O)CC(C)(C)C#N)(C(=O)OC)c1ccc(Cl)cc1 ZINC000915574810 737639815 /nfs/dbraw/zinc/63/98/15/737639815.db2.gz PDFUAKWCVUCELV-INIZCTEOSA-N -1 1 372.874 2.587 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000773049906 737865828 /nfs/dbraw/zinc/86/58/28/737865828.db2.gz ASJRJMHRXXNLDP-RYUDHWBXSA-N -1 1 367.776 2.818 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(N(C)C)cc1 ZINC000773084545 737869802 /nfs/dbraw/zinc/86/98/02/737869802.db2.gz QWGFGTIALROUGS-LLVKDONJSA-N -1 1 365.405 2.942 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000775298477 738081565 /nfs/dbraw/zinc/08/15/65/738081565.db2.gz USHAJKWQQMFWHX-UHFFFAOYSA-N -1 1 359.403 2.814 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCSC[C@@H]2C#N)c([O-])c1 ZINC000775572391 738102572 /nfs/dbraw/zinc/10/25/72/738102572.db2.gz STRZCXCEAQXFII-LBPRGKRZSA-N -1 1 363.439 2.820 20 30 FFEDMM Cc1ccc(C)c2c1NC(=O)C2=NN=c1[n-]nc(-c2ccccn2)s1 ZINC000788029605 739199307 /nfs/dbraw/zinc/19/93/07/739199307.db2.gz YVKMJOMOPKKYLL-UHFFFAOYSA-N -1 1 350.407 2.985 20 30 FFEDMM COc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnc1Br ZINC000788352899 739236368 /nfs/dbraw/zinc/23/63/68/739236368.db2.gz WCDWVQRQJJHBSL-LLVKDONJSA-N -1 1 361.199 2.750 20 30 FFEDMM C=CCCCCCN(C)C(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000933108029 739570711 /nfs/dbraw/zinc/57/07/11/739570711.db2.gz RXJWIXLOXMEXQZ-UHFFFAOYSA-N -1 1 354.397 2.534 20 30 FFEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCSCC#N ZINC000805420859 740969215 /nfs/dbraw/zinc/96/92/15/740969215.db2.gz PFTZAVDBYWSRPD-UHFFFAOYSA-N -1 1 356.469 2.642 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)cc1 ZINC000812527592 741629907 /nfs/dbraw/zinc/62/99/07/741629907.db2.gz WWYRFBJNOLHZFS-HNNXBMFYSA-N -1 1 350.321 2.628 20 30 FFEDMM C=CCOCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000849459340 749164331 /nfs/dbraw/zinc/16/43/31/749164331.db2.gz QSYLIWZURTWXSZ-UHFFFAOYSA-N -1 1 369.226 2.773 20 30 FFEDMM C[C@@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000021735990 845039243 /nfs/dbraw/zinc/03/92/43/845039243.db2.gz RMNBBLWHIVSSND-JTQLQIEISA-N -1 1 366.345 2.834 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC#Cc2ccccc2)o1 ZINC000056232390 845354389 /nfs/dbraw/zinc/35/43/89/845354389.db2.gz QHPNMCPNQXMXFN-UHFFFAOYSA-N -1 1 361.419 2.565 20 30 FFEDMM Cc1cc(C)n(N=Cc2cnc(C3CCCC3)s2)c(=O)c1-c1nn[n-]n1 ZINC000822198664 945981829 /nfs/dbraw/zinc/98/18/29/945981829.db2.gz FFOURCYUMDEQJD-UHFFFAOYSA-N -1 1 369.454 2.642 20 30 FFEDMM C=CCCC(=O)N[C@@H](CNc1snc(C)c1-c1nn[n-]n1)C(C)(C)C ZINC001573327466 947390751 /nfs/dbraw/zinc/39/07/51/947390751.db2.gz GDBPOOYMIYJGBE-NSHDSACASA-N -1 1 363.491 2.541 20 30 FFEDMM CSCC[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1nn[n-]n1 ZINC001167444978 963451044 /nfs/dbraw/zinc/45/10/44/963451044.db2.gz QLEFPLCJZZVFAP-JTQLQIEISA-N -1 1 371.253 2.602 20 30 FFEDMM C=C1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC000984046973 967744326 /nfs/dbraw/zinc/74/43/26/967744326.db2.gz ICEGDBJCDGGVIE-WBVHZDCISA-N -1 1 371.481 2.891 20 30 FFEDMM N#C[C@@H](Oc1[n-]c(=O)ncc1I)c1ccccc1F ZINC001226773787 968051708 /nfs/dbraw/zinc/05/17/08/968051708.db2.gz JXQBDBJRDBZQJW-SNVBAGLBSA-N -1 1 371.109 2.570 20 30 FFEDMM N#Cc1ccc2c(c1)ncnc2NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167933928 978173132 /nfs/dbraw/zinc/17/31/32/978173132.db2.gz OLCWLRODZZWXEN-UHFFFAOYSA-N -1 1 366.317 2.586 20 30 FFEDMM C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001087464508 978265827 /nfs/dbraw/zinc/26/58/27/978265827.db2.gz MPXOBNLNQFJXKO-IAGOWNOFSA-N -1 1 355.413 2.700 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3Cl)c2)c(=O)o1 ZINC000138786233 984176450 /nfs/dbraw/zinc/17/64/50/984176450.db2.gz PXTVHKAUPOINFG-IPLHWJFFSA-N -1 1 370.792 2.813 20 30 FFEDMM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000674952675 989987293 /nfs/dbraw/zinc/98/72/93/989987293.db2.gz PIQGBIGDYSSKIE-ZDUSSCGKSA-N -1 1 372.446 2.994 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)cc1OC ZINC000916935771 990035915 /nfs/dbraw/zinc/03/59/15/990035915.db2.gz VXBASSDVISXVEU-AWEZNQCLSA-N -1 1 364.361 2.541 20 30 FFEDMM COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cccc(C(=O)[O-])c1C#N ZINC001598705586 995282100 /nfs/dbraw/zinc/28/21/00/995282100.db2.gz VYVBYUQWGVUGNK-KDOFPFPSSA-N -1 1 366.417 2.766 20 30 FFEDMM C[C@@H](Oc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)cc1)C(=O)[O-] ZINC001593614621 995825693 /nfs/dbraw/zinc/82/56/93/995825693.db2.gz BYUAXNXXXHDFSC-MRXNPFEDSA-N -1 1 365.433 2.991 20 30 FFEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cnc(SC)[n-]c2=O)c1 ZINC001136814037 996779578 /nfs/dbraw/zinc/77/95/78/996779578.db2.gz RVCKBDROEKFTIN-GFCCVEGCSA-N -1 1 358.423 2.515 20 30 FFEDMM C=CCOCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000679478304 1016074940 /nfs/dbraw/zinc/07/49/40/1016074940.db2.gz ZHOIMFLISGVIDI-UHFFFAOYSA-N -1 1 360.682 2.645 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001143647695 997471393 /nfs/dbraw/zinc/47/13/93/997471393.db2.gz BYFXSVWMJKZOAG-CYBMUJFWSA-N -1 1 353.300 2.564 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)C[C@@H](CC(N)=O)c1ccc(Cl)cc1 ZINC001143786037 997668425 /nfs/dbraw/zinc/66/84/25/997668425.db2.gz IZQNWSKEURRTCC-GFCCVEGCSA-N -1 1 374.828 2.515 20 30 FFEDMM Cc1c([N-][NH+]=Cc2ccc(N3CCN(C)CC3)cc2)cccc1C(=O)[O-] ZINC000844623471 998033835 /nfs/dbraw/zinc/03/38/35/998033835.db2.gz KPKFIVZIOONTBO-UHFFFAOYSA-N -1 1 352.438 2.891 20 30 FFEDMM C[C@@](CO)(NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC001148041748 1001029440 /nfs/dbraw/zinc/02/94/40/1001029440.db2.gz QEDXHLBGBRTVIW-KRWDZBQOSA-N -1 1 364.323 2.920 20 30 FFEDMM CN(C[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1)C(=O)OC(C)(C)C ZINC000785538835 1001451062 /nfs/dbraw/zinc/45/10/62/1001451062.db2.gz KCNAHAJISKUUSR-CQSZACIVSA-N -1 1 373.453 2.983 20 30 FFEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000785600034 1001457061 /nfs/dbraw/zinc/45/70/61/1001457061.db2.gz XECOIDDAUNDDSV-WFASDCNBSA-N -1 1 359.426 2.639 20 30 FFEDMM CC(C)(C)OC(=O)NC1(C)CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000785637184 1001465573 /nfs/dbraw/zinc/46/55/73/1001465573.db2.gz FMLCAKPRCDECFZ-UHFFFAOYSA-N -1 1 359.426 2.783 20 30 FFEDMM O=C(COC(F)(F)F)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001183206109 1002208459 /nfs/dbraw/zinc/20/84/59/1002208459.db2.gz PDYUJYRHQABXAW-NGYBGAFCSA-N -1 1 372.328 2.696 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc1C#N ZINC001185221591 1002868292 /nfs/dbraw/zinc/86/82/92/1002868292.db2.gz MQTQUZJTOWVQLP-UHFFFAOYSA-N -1 1 350.359 2.886 20 30 FFEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774932408 1003073723 /nfs/dbraw/zinc/07/37/23/1003073723.db2.gz LBWOKMJOMAWJEW-CQSZACIVSA-N -1 1 372.343 2.573 20 30 FFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccn(C(F)F)c1=O ZINC001196701917 1003919519 /nfs/dbraw/zinc/91/95/19/1003919519.db2.gz NKHLHXRWLHBNFV-UHFFFAOYSA-N -1 1 359.741 2.569 20 30 FFEDMM N#Cc1ccccc1OCCC[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192055044 1004046874 /nfs/dbraw/zinc/04/68/74/1004046874.db2.gz KKJLIZVXGGEQDO-UHFFFAOYSA-N -1 1 357.646 2.574 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(C#N)c1)C(F)(F)F ZINC001197320658 1004160321 /nfs/dbraw/zinc/16/03/21/1004160321.db2.gz OEGHSMUVWRJWSB-ZCFIWIBFSA-N -1 1 357.151 2.550 20 30 FFEDMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)n1 ZINC001197287226 1004164582 /nfs/dbraw/zinc/16/45/82/1004164582.db2.gz ONXILMVGSZHYHJ-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM C=CCCO[C@@H](C)C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806017624 1004209054 /nfs/dbraw/zinc/20/90/54/1004209054.db2.gz ACVMNPJORVDJPZ-AWEZNQCLSA-N -1 1 357.410 2.620 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)C(=O)OC ZINC001197546517 1004266750 /nfs/dbraw/zinc/26/67/50/1004266750.db2.gz ITRALLVNTCRFCM-GFCCVEGCSA-N -1 1 352.239 2.531 20 30 FFEDMM CC(C)C[C@H]([N-]S(=O)(=O)CC#N)C(=O)Nc1cccc2ccccc21 ZINC001193005447 1004339778 /nfs/dbraw/zinc/33/97/78/1004339778.db2.gz WSSNHOZWDIRGFN-KRWDZBQOSA-N -1 1 359.451 2.636 20 30 FFEDMM Cc1cc2nc3ccc(N(C)C)cc3nc2cc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193149832 1004391356 /nfs/dbraw/zinc/39/13/56/1004391356.db2.gz AAUYGMROLBWCSI-GFCCVEGCSA-N -1 1 369.450 2.811 20 30 FFEDMM COc1cc([N-]S(=O)(=O)[C@@H](C)C#N)c(Cl)cc1Br ZINC001193159022 1004393316 /nfs/dbraw/zinc/39/33/16/1004393316.db2.gz YQFGMPDFVOKCQB-LURJTMIESA-N -1 1 353.625 2.765 20 30 FFEDMM N#Cc1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1[O-] ZINC001193659283 1004542703 /nfs/dbraw/zinc/54/27/03/1004542703.db2.gz KRNOONSJGGONJM-UHFFFAOYSA-N -1 1 360.417 2.552 20 30 FFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198869175 1004767571 /nfs/dbraw/zinc/76/75/71/1004767571.db2.gz TZNVWNLHLRSSHY-UHFFFAOYSA-N -1 1 356.359 2.892 20 30 FFEDMM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3cc([O-])cc(F)c3)CC2)C1=O ZINC001273885351 1005172385 /nfs/dbraw/zinc/17/23/85/1005172385.db2.gz YJGKJRZJUFSAMD-HXUWFJFHSA-N -1 1 360.429 2.952 20 30 FFEDMM C=C(C)CN1CC[C@@]2(CCCN(C(=O)c3cc([O-])cc(F)c3)CC2)C1=O ZINC001273885348 1005172435 /nfs/dbraw/zinc/17/24/35/1005172435.db2.gz YJGKJRZJUFSAMD-FQEVSTJZSA-N -1 1 360.429 2.952 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)NC3(C)C)cc1C#N ZINC001201323462 1005199847 /nfs/dbraw/zinc/19/98/47/1005199847.db2.gz FTJGEZSTLRYKHB-UHFFFAOYSA-N -1 1 369.446 2.575 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3(C)C)cc1C#N ZINC001201323857 1005200133 /nfs/dbraw/zinc/20/01/33/1005200133.db2.gz OJUGJGLGJRKVSX-UHFFFAOYSA-N -1 1 355.419 2.646 20 30 FFEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nnn(C(C)(C)C)n2)cc1 ZINC000850761172 1005837202 /nfs/dbraw/zinc/83/72/02/1005837202.db2.gz IIKFGOCJKPAJBM-IUODEOHRSA-N -1 1 368.441 2.903 20 30 FFEDMM Cc1oncc1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1Br ZINC001187376949 1006045905 /nfs/dbraw/zinc/04/59/05/1006045905.db2.gz SJYYKCMZRHOHPU-UHFFFAOYSA-N -1 1 360.164 2.557 20 30 FFEDMM N#Cc1ccc(O[C@@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)nc1 ZINC000814172034 1006186350 /nfs/dbraw/zinc/18/63/50/1006186350.db2.gz WREBELFXQBFXQJ-CQSZACIVSA-N -1 1 374.784 2.874 20 30 FFEDMM CC(C)(C)OC(=O)NCC1(NC(=O)c2cc([O-])cc(C#N)c2)CCCC1 ZINC000776651911 1006364513 /nfs/dbraw/zinc/36/45/13/1006364513.db2.gz LWJKLEZFPIIOPH-UHFFFAOYSA-N -1 1 359.426 2.831 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc3ccc(F)c(F)c3n2)c2ccccc21 ZINC000814799044 1006431326 /nfs/dbraw/zinc/43/13/26/1006431326.db2.gz SCGNQNLLVVXFAO-UHFFFAOYSA-N -1 1 372.356 2.586 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1(C)C ZINC000854972967 1007048586 /nfs/dbraw/zinc/04/85/86/1007048586.db2.gz DLLQPARPSMEIFJ-CABCVRRESA-N -1 1 359.426 2.685 20 30 FFEDMM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc(C(C)=O)n2)c(C)c1[O-] ZINC001190750584 1007770164 /nfs/dbraw/zinc/77/01/64/1007770164.db2.gz OWTGKXNODPQWKJ-UHFFFAOYSA-N -1 1 367.361 2.599 20 30 FFEDMM Cc1ccc(C2([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)COC2)cc1 ZINC001190988727 1007861182 /nfs/dbraw/zinc/86/11/82/1007861182.db2.gz GOCFKNFHVSXSCU-UHFFFAOYSA-N -1 1 362.838 2.724 20 30 FFEDMM C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC001191148158 1007902310 /nfs/dbraw/zinc/90/23/10/1007902310.db2.gz XNEXMMPPCUAMGW-GFCCVEGCSA-N -1 1 368.817 2.571 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)COc2cccc(C#N)c2)c1 ZINC000820067356 1008276436 /nfs/dbraw/zinc/27/64/36/1008276436.db2.gz BYGCEYOGBAXUNB-RMKBEBRYSA-N -1 1 373.430 2.685 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)O[C@H](C)COc2cccc(C#N)c2)c1 ZINC000820067354 1008276442 /nfs/dbraw/zinc/27/64/42/1008276442.db2.gz BYGCEYOGBAXUNB-IYJVBRSBSA-N -1 1 373.430 2.685 20 30 FFEDMM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266153 1008616919 /nfs/dbraw/zinc/61/69/19/1008616919.db2.gz AYQCBCJYOMTZSA-GOSISDBHSA-N -1 1 368.380 2.591 20 30 FFEDMM CC(C)(C(=O)Nc1ccc(C#N)cc1[O-])c1ncc(Br)cn1 ZINC001177811935 1008756506 /nfs/dbraw/zinc/75/65/06/1008756506.db2.gz HFGIUNDXYWXSQD-UHFFFAOYSA-N -1 1 361.199 2.733 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC1(C#N)CCCCC1 ZINC000822853096 1008775122 /nfs/dbraw/zinc/77/51/22/1008775122.db2.gz YOEFNQGLYKKCGP-CHWSQXEVSA-N -1 1 374.407 2.701 20 30 FFEDMM C#CCC1(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCCCC1 ZINC000886652359 1008794864 /nfs/dbraw/zinc/79/48/64/1008794864.db2.gz LBPYGHRSFWWHHO-UHFFFAOYSA-N -1 1 364.449 2.938 20 30 FFEDMM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1c([O-])cccc1Cl ZINC001274006376 1009241604 /nfs/dbraw/zinc/24/16/04/1009241604.db2.gz JKZGDOGIFSPRSI-ZIAGYGMSSA-N -1 1 361.829 2.555 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)Cc1ccc(F)cc1Br ZINC001179627762 1009392015 /nfs/dbraw/zinc/39/20/15/1009392015.db2.gz VSUCTRXPOULCKC-UHFFFAOYSA-N -1 1 366.190 2.956 20 30 FFEDMM C#CC[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000862556113 1009880927 /nfs/dbraw/zinc/88/09/27/1009880927.db2.gz NLQJNZQEOYKUKI-INIZCTEOSA-N -1 1 368.458 2.973 20 30 FFEDMM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1c(F)ccc([O-])c1F)CC2 ZINC001274850939 1011697297 /nfs/dbraw/zinc/69/72/97/1011697297.db2.gz XJILEVQWTGOJGM-LBPRGKRZSA-N -1 1 364.392 2.605 20 30 FFEDMM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC001274881054 1011723540 /nfs/dbraw/zinc/72/35/40/1011723540.db2.gz ABEZVMXZCBQOKJ-HNNXBMFYSA-N -1 1 362.857 2.980 20 30 FFEDMM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3nc(C)ccc3[O-])CC2)C1=O ZINC001275033625 1011839817 /nfs/dbraw/zinc/83/98/17/1011839817.db2.gz SQUPJVGNOVEDMU-HXUWFJFHSA-N -1 1 357.454 2.517 20 30 FFEDMM CCNC(=O)COc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1OC ZINC000780186023 1017219347 /nfs/dbraw/zinc/21/93/47/1017219347.db2.gz CKMVKRGXPRZMJC-OVCLIPMQSA-N -1 1 367.401 2.738 20 30 FFEDMM N#Cc1ccc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1[O-] ZINC000928109193 1018804533 /nfs/dbraw/zinc/80/45/33/1018804533.db2.gz UTNWNRGLYYELSJ-UHFFFAOYSA-N -1 1 364.401 2.848 20 30 FFEDMM COc1ccc(C2=NO[C@H](CNC(=O)c3ccc(C#N)c([O-])c3)C2)cc1C ZINC000801366666 1018894965 /nfs/dbraw/zinc/89/49/65/1018894965.db2.gz BSCHYOIFWJFAFE-INIZCTEOSA-N -1 1 365.389 2.504 20 30 FFEDMM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc21 ZINC000901978627 1019678664 /nfs/dbraw/zinc/67/86/64/1019678664.db2.gz WCHJHOMCBXFRFF-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM C=CCc1cc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc(OC)c1O ZINC000900070507 1020167668 /nfs/dbraw/zinc/16/76/68/1020167668.db2.gz LHTJNXQXMPMDGF-CQSZACIVSA-N -1 1 357.410 2.649 20 30 FFEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC#N)cc2)cc1 ZINC000490675922 1020466041 /nfs/dbraw/zinc/46/60/41/1020466041.db2.gz REOJONUWURJZBA-UHFFFAOYSA-N -1 1 373.434 2.530 20 30 FFEDMM C=CC[C@@H](C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000778415927 1021930546 /nfs/dbraw/zinc/93/05/46/1021930546.db2.gz COMVVBWTJVSGOA-GOSISDBHSA-N -1 1 367.401 2.855 20 30 FFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn(CCC(C)C)nn1 ZINC000158732932 1022560915 /nfs/dbraw/zinc/56/09/15/1022560915.db2.gz HZNWLEVKLFHIDN-CQSZACIVSA-N -1 1 369.425 2.684 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001122612305 1023369130 /nfs/dbraw/zinc/36/91/30/1023369130.db2.gz NIQRMKMAJNANOH-PHIMTYICSA-N -1 1 367.787 2.977 20 30 FFEDMM C#C[C@@H](CC)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000754388186 1023464307 /nfs/dbraw/zinc/46/43/07/1023464307.db2.gz HYGIVXKSEXRDNN-YJBOKZPZSA-N -1 1 350.418 2.678 20 30 FFEDMM COC(=O)c1ccc(N=NCc2cccc(OCCC(=O)[O-])c2)c(OC)c1 ZINC000756897907 1023766186 /nfs/dbraw/zinc/76/61/86/1023766186.db2.gz UHEPSGCMZOBYLE-UHFFFAOYSA-N -1 1 372.377 2.781 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N3CCc4cc(F)c(F)cc4C3)cc(=O)c2c1 ZINC001154555329 1028351721 /nfs/dbraw/zinc/35/17/21/1028351721.db2.gz CNNGMZCRFRRPOP-UHFFFAOYSA-N -1 1 365.339 2.876 20 30 FFEDMM CCOC(=O)c1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ncn1 ZINC001155909020 1028970278 /nfs/dbraw/zinc/97/02/78/1028970278.db2.gz FPPWRMLTQKYXOS-UHFFFAOYSA-N -1 1 370.287 2.800 20 30 FFEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783110793 1029899734 /nfs/dbraw/zinc/89/97/34/1029899734.db2.gz JQHMCLRPCSDDCK-IBGZPJMESA-N -1 1 369.373 2.799 20 30 FFEDMM C#Cc1cc(=NC(=O)c2cnc3ccc(C(F)(F)F)cc3c2[O-])cc[nH]1 ZINC001150465199 1031716917 /nfs/dbraw/zinc/71/69/17/1031716917.db2.gz KNUQPZBGSBKOAM-UHFFFAOYSA-N -1 1 357.291 2.597 20 30 FFEDMM CC(C)COc1cccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC001115866220 1031991575 /nfs/dbraw/zinc/99/15/75/1031991575.db2.gz XRGSCHJWKVXJNI-UHFFFAOYSA-N -1 1 358.419 2.600 20 30 FFEDMM C=CCC[C@@H](C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000830953726 1033877762 /nfs/dbraw/zinc/87/77/62/1033877762.db2.gz YHOGGBSJXKIYPI-OAHLLOKOSA-N -1 1 353.422 2.621 20 30 FFEDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C#N)c1cccc(F)c1 ZINC001226327964 1034631565 /nfs/dbraw/zinc/63/15/65/1034631565.db2.gz UWAKGTTXTXVVOE-LBPRGKRZSA-N -1 1 361.285 2.655 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc([O-])c(C#N)c2C#N)[C@H](F)C1 ZINC001227614402 1035637315 /nfs/dbraw/zinc/63/73/15/1035637315.db2.gz FNFFDWDZDIZGEP-CJNGLKHVSA-N -1 1 361.373 2.862 20 30 FFEDMM C[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227619798 1035642639 /nfs/dbraw/zinc/64/26/39/1035642639.db2.gz WBGYQXVLFIZCRS-VIFPVBQESA-N -1 1 353.290 2.912 20 30 FFEDMM N#Cc1ccc([O-])c(CN2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001232675794 1035931158 /nfs/dbraw/zinc/93/11/58/1035931158.db2.gz VKRIBJLMTUVKQG-NRFANRHFSA-N -1 1 364.449 2.530 20 30 FFEDMM C=C1O[C@H](C)C(=O)C1Oc1c(C(=O)c2ccc([O-])cc2)ccc(O)c1O ZINC001228112989 1035938737 /nfs/dbraw/zinc/93/87/37/1035938737.db2.gz BVFJKYDREYLMNK-SECBINFHSA-N -1 1 356.330 2.633 20 30 FFEDMM C=CCOCC(COCC=C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229217979 1036558154 /nfs/dbraw/zinc/55/81/54/1036558154.db2.gz HTSOAXGOSUTRNR-UHFFFAOYSA-N -1 1 362.378 2.660 20 30 FFEDMM C#C[C@H](Oc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)cc1)C(=O)OCC ZINC001229269938 1036589573 /nfs/dbraw/zinc/58/95/73/1036589573.db2.gz LFJFKOXRMSQCNT-UBIUBJKMSA-N -1 1 366.369 2.938 20 30 FFEDMM C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277388226 1036681092 /nfs/dbraw/zinc/68/10/92/1036681092.db2.gz UKPBLNZUFKLWOS-GOSISDBHSA-N -1 1 350.821 2.775 20 30 FFEDMM COc1cc([O-])cc(OC2CN(C(C)=O)C2)c1C(=O)/C=C/c1ccccc1 ZINC001229529058 1036724162 /nfs/dbraw/zinc/72/41/62/1036724162.db2.gz JQIRESBONOZIPA-CMDGGOBGSA-N -1 1 367.401 2.906 20 30 FFEDMM N#CCc1cccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000836763943 1036818331 /nfs/dbraw/zinc/81/83/31/1036818331.db2.gz WRQQQUYHXGQLJU-UHFFFAOYSA-N -1 1 368.359 2.675 20 30 FFEDMM C/C(=N\[O-])c1ccccc1O[C@H](CC(=O)OC(C)C)C(=O)OC(C)C ZINC001229737072 1036861682 /nfs/dbraw/zinc/86/16/82/1036861682.db2.gz PFGOEEZJFSIGTM-CXDFQFJYSA-N -1 1 351.399 2.926 20 30 FFEDMM CCC#C[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790921 1036900256 /nfs/dbraw/zinc/90/02/56/1036900256.db2.gz KVACYRBVVSHXAC-JTQLQIEISA-N -1 1 358.346 2.626 20 30 FFEDMM Cc1nc(C(N)=O)c(O[C@@H](C#C[Si](C)(C)C)c2ccccc2)c(=O)[n-]1 ZINC001234468688 1037048608 /nfs/dbraw/zinc/04/86/08/1037048608.db2.gz BBRVPPFNOVJWHG-AWEZNQCLSA-N -1 1 355.470 2.590 20 30 FFEDMM O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(O)c(OC[C@@H]2COCO2)c1 ZINC001234716379 1037152901 /nfs/dbraw/zinc/15/29/01/1037152901.db2.gz GQIOYRQULYMDPB-WQPBDQAGSA-N -1 1 370.357 2.508 20 30 FFEDMM C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277508505 1037544036 /nfs/dbraw/zinc/54/40/36/1037544036.db2.gz XHPWMSDFKQOETH-GOSISDBHSA-N -1 1 350.821 2.775 20 30 FFEDMM COCCOc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258133052 1039211418 /nfs/dbraw/zinc/21/14/18/1039211418.db2.gz WWRDWYKLLCELPU-UHFFFAOYSA-N -1 1 350.371 2.523 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C#N)c(Cl)s1 ZINC001258202188 1039265198 /nfs/dbraw/zinc/26/51/98/1039265198.db2.gz YLIDGQUURYRXPC-UHFFFAOYSA-N -1 1 356.812 2.861 20 30 FFEDMM C#Cc1ccc(NC(=O)NC(C)(C)c2ncc(OC)c(=O)[n-]2)c(Cl)c1 ZINC001209905891 1039286455 /nfs/dbraw/zinc/28/64/55/1039286455.db2.gz RQCUEZYFZNGLTQ-UHFFFAOYSA-N -1 1 360.801 2.882 20 30 FFEDMM CCCCC[C@@H](CCC)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001258667261 1039479369 /nfs/dbraw/zinc/47/93/69/1039479369.db2.gz LWVPFMXPYPYNIN-KGLIPLIRSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCC[C@@H](CCC)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001258667261 1039479375 /nfs/dbraw/zinc/47/93/75/1039479375.db2.gz LWVPFMXPYPYNIN-KGLIPLIRSA-N -1 1 356.469 2.751 20 30 FFEDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cccc(C#N)c1F)C(=O)C2 ZINC001258972843 1039630218 /nfs/dbraw/zinc/63/02/18/1039630218.db2.gz PXWKILDPTDVBSB-SJCJKPOMSA-N -1 1 350.415 2.834 20 30 FFEDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1)C(=O)C2 ZINC001258973583 1039630325 /nfs/dbraw/zinc/63/03/25/1039630325.db2.gz LIWAOCURUIUWEO-GTNSWQLSSA-N -1 1 368.405 2.974 20 30 FFEDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)cc1 ZINC001259316611 1039907958 /nfs/dbraw/zinc/90/79/58/1039907958.db2.gz GTEBSVOEKIBYJX-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc2)no1 ZINC001259418873 1039988079 /nfs/dbraw/zinc/98/80/79/1039988079.db2.gz VWZJHOQWKLRSDB-UHFFFAOYSA-N -1 1 358.354 2.857 20 30 FFEDMM CN1c2cc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)ccc2C(C)(C)C1=O ZINC001259419333 1039989531 /nfs/dbraw/zinc/98/95/31/1039989531.db2.gz UQYGLIVKQZVULI-UHFFFAOYSA-N -1 1 373.409 2.752 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)ccc1C#N ZINC001259431593 1039998473 /nfs/dbraw/zinc/99/84/73/1039998473.db2.gz SFRZTIPCQLNDHW-UHFFFAOYSA-N -1 1 354.334 2.969 20 30 FFEDMM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC001213218128 1040343301 /nfs/dbraw/zinc/34/33/01/1040343301.db2.gz JLPDFJMFMJHCFT-UHFFFAOYSA-N -1 1 351.241 2.864 20 30 FFEDMM C#CCN1CCC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC001213772896 1040893845 /nfs/dbraw/zinc/89/38/45/1040893845.db2.gz DYQMDHWDNLAMLZ-UHFFFAOYSA-N -1 1 365.257 2.508 20 30 FFEDMM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1cccc(C#N)c1F ZINC001261059114 1040966901 /nfs/dbraw/zinc/96/69/01/1040966901.db2.gz ZZMXPLCCDRKDGL-UHFFFAOYSA-N -1 1 374.802 3.000 20 30 FFEDMM CS(=O)(=O)[N-]c1ccsc1-c1nc(-c2cc(C#N)ccc2F)no1 ZINC001214002892 1041153731 /nfs/dbraw/zinc/15/37/31/1041153731.db2.gz CYQVKSIQPPYHQQ-UHFFFAOYSA-N -1 1 364.383 2.847 20 30 FFEDMM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccn(-c2ccncc2)n1)c1ccccc1 ZINC001263472440 1042332051 /nfs/dbraw/zinc/33/20/51/1042332051.db2.gz FEBNFUMZARCIAD-ROUUACIJSA-N -1 1 373.416 2.857 20 30 FFEDMM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CC1 ZINC001309820506 1043541029 /nfs/dbraw/zinc/54/10/29/1043541029.db2.gz JAYZKGPJQFNQBW-XYPYZODXSA-N -1 1 373.833 2.736 20 30 FFEDMM Cc1ccc(NC(=O)N2CC(C#N)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310799392 1043742502 /nfs/dbraw/zinc/74/25/02/1043742502.db2.gz CHTXHZJTWPWKBP-UHFFFAOYSA-N -1 1 370.434 2.783 20 30 FFEDMM C[C@H](CSc1ccccc1)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001318519508 1044727463 /nfs/dbraw/zinc/72/74/63/1044727463.db2.gz AUDFAWXYXVZFFH-GFCCVEGCSA-N -1 1 360.460 2.680 20 30 FFEDMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318965794 1044961808 /nfs/dbraw/zinc/96/18/08/1044961808.db2.gz KYGDDXWTELKEFX-QHCPKHFHSA-N -1 1 362.476 2.740 20 30 FFEDMM C=CCC1(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])CCC1 ZINC001282203785 1045418536 /nfs/dbraw/zinc/41/85/36/1045418536.db2.gz YEXLXZCVCIXWNZ-CVEARBPZSA-N -1 1 371.481 2.891 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC001321817619 1045817864 /nfs/dbraw/zinc/81/78/64/1045817864.db2.gz HGJAFLRYMYERPF-UHFFFAOYSA-N -1 1 357.410 2.978 20 30 FFEDMM Cc1c(C#N)cccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001325218618 1046421447 /nfs/dbraw/zinc/42/14/47/1046421447.db2.gz SPTPURSJCJGYCQ-OAHLLOKOSA-N -1 1 370.775 2.692 20 30 FFEDMM C#CCOc1cccc(NC(=O)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)c1 ZINC001332728913 1048533358 /nfs/dbraw/zinc/53/33/58/1048533358.db2.gz JODRMLHOIRCRCL-HNNXBMFYSA-N -1 1 368.393 2.572 20 30 FFEDMM CC1(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)COC1 ZINC001341837808 1050449626 /nfs/dbraw/zinc/44/96/26/1050449626.db2.gz KUSNOHSNRRFJQA-LLVKDONJSA-N -1 1 357.435 2.879 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001342279820 1050872506 /nfs/dbraw/zinc/87/25/06/1050872506.db2.gz ORQKGFRXBYFRAR-FZMZJTMJSA-N -1 1 363.849 2.746 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H]1c1ccccc1OC ZINC001340539212 1050928626 /nfs/dbraw/zinc/92/86/26/1050928626.db2.gz MCHVHCVWICSDAI-HNNXBMFYSA-N -1 1 366.425 2.910 20 30 FFEDMM C[C@H](C#N)CN(C)c1nnc(-c2nc(Cl)n[n-]2)n1CCc1ccccc1 ZINC001340752218 1051107649 /nfs/dbraw/zinc/10/76/49/1051107649.db2.gz UZVFEYDXXCBNTN-GFCCVEGCSA-N -1 1 370.848 2.555 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)cc1Br ZINC001309332391 1052600683 /nfs/dbraw/zinc/60/06/83/1052600683.db2.gz QNJALOWGJPAQNJ-UHFFFAOYSA-N -1 1 373.247 2.928 20 30 FFEDMM C=CCN(C)c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1CC1CC1 ZINC001346738700 1053272630 /nfs/dbraw/zinc/27/26/30/1053272630.db2.gz PHJBOBKKYWEFJS-UHFFFAOYSA-N -1 1 363.425 2.535 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)C1CC(c2ccc(F)cc2)C1 ZINC001348835248 1054953047 /nfs/dbraw/zinc/95/30/47/1054953047.db2.gz XCFBJMYYVWTSKV-UHFFFAOYSA-N -1 1 358.394 2.585 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](OC)CC[C@@H]1C ZINC001338708360 1055749560 /nfs/dbraw/zinc/74/95/60/1055749560.db2.gz IAKLRZOCHZPLJV-JSGCOSHPSA-N -1 1 370.457 2.508 20 30 FFEDMM C=C[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001338808283 1055835229 /nfs/dbraw/zinc/83/52/29/1055835229.db2.gz FDRKLXJBTLUCHG-ZETCQYMHSA-N -1 1 372.643 2.721 20 30 FFEDMM C=C(C)CONC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001300220109 1056157737 /nfs/dbraw/zinc/15/77/37/1056157737.db2.gz RTHITOSZUGXSGJ-UHFFFAOYSA-N -1 1 364.398 2.864 20 30 FFEDMM CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([O-])c(F)cc1F ZINC001358305764 1056238817 /nfs/dbraw/zinc/23/88/17/1056238817.db2.gz GQACSKGBZJRQFM-LBPRGKRZSA-N -1 1 354.353 2.916 20 30 FFEDMM CSc1ncc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC001443535469 1058215241 /nfs/dbraw/zinc/21/52/41/1058215241.db2.gz ROCZBMFLUSTAPV-LLVKDONJSA-N -1 1 368.340 2.918 20 30 FFEDMM Cn1ccnc1C(C#N)=C([O-])c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001515834626 1059827108 /nfs/dbraw/zinc/82/71/08/1059827108.db2.gz DDASIULMJULPFC-LBPRGKRZSA-N -1 1 367.359 2.863 20 30 FFEDMM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC001462950412 1061858549 /nfs/dbraw/zinc/85/85/49/1061858549.db2.gz SLLUPCISIXDRNP-UHFFFAOYSA-N -1 1 358.419 2.649 20 30 FFEDMM N#Cc1cccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)c1 ZINC001471420420 1064670676 /nfs/dbraw/zinc/67/06/76/1064670676.db2.gz CYBCVMXYOLBBCC-LBPRGKRZSA-N -1 1 366.255 2.600 20 30 FFEDMM O=C([N-]C1CC(NCC(F)(F)F)C1)C(F)(F)c1cc(F)cc(F)c1 ZINC001558650795 1076049323 /nfs/dbraw/zinc/04/93/23/1076049323.db2.gz FCSQVBLRLAVMJA-UHFFFAOYSA-N -1 1 358.257 2.856 20 30 FFEDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)cc1F ZINC001561914535 1076443900 /nfs/dbraw/zinc/44/39/00/1076443900.db2.gz LOVRAJHPXKVOGA-LLVKDONJSA-N -1 1 363.370 2.954 20 30 FFEDMM N#Cc1ccc(N2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC001586111339 1079549752 /nfs/dbraw/zinc/54/97/52/1079549752.db2.gz ZVNOYSXWNNYKFF-UHFFFAOYSA-N -1 1 355.825 2.809 20 30 FFEDMM CCOC(=O)[C@@]([N-]C(=O)CC(F)(F)C(F)(F)F)(C1CC1)C(F)(F)F ZINC001586256191 1079585439 /nfs/dbraw/zinc/58/54/39/1079585439.db2.gz RYYSJYOJRNQZCG-JTQLQIEISA-N -1 1 371.224 2.965 20 30 FFEDMM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccc(Cl)cc1 ZINC001588329674 1079985139 /nfs/dbraw/zinc/98/51/39/1079985139.db2.gz LFLHUYZBTJHZJI-LBPRGKRZSA-N -1 1 373.203 2.673 20 30 FFEDMM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccc(Cl)cc1F ZINC001588330314 1079986943 /nfs/dbraw/zinc/98/69/43/1079986943.db2.gz YZYBYNUXDDZPQL-ZDUSSCGKSA-N -1 1 359.748 2.665 20 30 FFEDMM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccc(Cl)cc1F ZINC001588330314 1079986952 /nfs/dbraw/zinc/98/69/52/1079986952.db2.gz YZYBYNUXDDZPQL-ZDUSSCGKSA-N -1 1 359.748 2.665 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588464490 1080037910 /nfs/dbraw/zinc/03/79/10/1080037910.db2.gz UYQUPJLFMQPWSI-MAUKXSAKSA-N -1 1 372.490 2.937 20 30 FFEDMM C=C[C@@H](C)ONC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001588519337 1080071795 /nfs/dbraw/zinc/07/17/95/1080071795.db2.gz XZRICYIODMEXML-LLVKDONJSA-N -1 1 370.438 2.901 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cc(O)cc(F)c1 ZINC001588781133 1080193542 /nfs/dbraw/zinc/19/35/42/1080193542.db2.gz GTVRDIGQGPZPHW-UHFFFAOYSA-N -1 1 359.365 2.833 20 30 FFEDMM CC(=NNc1ccc(C(=O)[O-])c(F)c1)c1ccc(OCC(=O)N(C)C)cc1 ZINC001589016299 1080306105 /nfs/dbraw/zinc/30/61/05/1080306105.db2.gz CEJWFXQESFYMIC-UHFFFAOYSA-N -1 1 373.384 2.827 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C(=O)OCC ZINC000451984250 514110352 /nfs/dbraw/zinc/11/03/52/514110352.db2.gz CWADSUSJGYLACY-QWHCGFSZSA-N -1 1 353.431 2.629 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)(C)C)nn2C)n1 ZINC000067894051 507044752 /nfs/dbraw/zinc/04/47/52/507044752.db2.gz VZRVKNIWWVCCOA-SNVBAGLBSA-N -1 1 360.439 2.841 20 30 FFEDMM CN(CCC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000060617416 507567577 /nfs/dbraw/zinc/56/75/77/507567577.db2.gz YGUXXIGPRMNMSQ-UHFFFAOYSA-N -1 1 361.398 2.612 20 30 FFEDMM N#CC1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000109901344 507996011 /nfs/dbraw/zinc/99/60/11/507996011.db2.gz ZREOCELSGQKCPR-UHFFFAOYSA-N -1 1 355.419 2.663 20 30 FFEDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C[C@H](C)C#N)cc1 ZINC000080027943 508028070 /nfs/dbraw/zinc/02/80/70/508028070.db2.gz XOLHJFCYCXBMII-GFCCVEGCSA-N -1 1 359.455 2.624 20 30 FFEDMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000115313433 508384161 /nfs/dbraw/zinc/38/41/61/508384161.db2.gz DQTJOSNNKHZUAD-QFIPXVFZSA-N -1 1 368.867 2.891 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)cc1 ZINC000127523366 508462533 /nfs/dbraw/zinc/46/25/33/508462533.db2.gz NMESBHZNMZZQNW-UHFFFAOYSA-N -1 1 365.418 2.564 20 30 FFEDMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000125295217 508961437 /nfs/dbraw/zinc/96/14/37/508961437.db2.gz LPXOMHNANWXQKF-GFCCVEGCSA-N -1 1 356.856 2.594 20 30 FFEDMM COc1cccc(NC(=O)[C@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000155447099 509003463 /nfs/dbraw/zinc/00/34/63/509003463.db2.gz BIMQPYGIOKPXMD-CYBMUJFWSA-N -1 1 368.418 2.856 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000151592005 509049063 /nfs/dbraw/zinc/04/90/63/509049063.db2.gz QILTWFODMYOVDD-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)c1 ZINC000121064257 509120446 /nfs/dbraw/zinc/12/04/46/509120446.db2.gz FUWKJPWLGPTXDC-UHFFFAOYSA-N -1 1 371.418 2.853 20 30 FFEDMM N#Cc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000127002676 509158049 /nfs/dbraw/zinc/15/80/49/509158049.db2.gz AFKPELQLGQUGEO-UHFFFAOYSA-N -1 1 354.313 2.803 20 30 FFEDMM COC(=O)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)c(F)c1 ZINC000189049466 509387012 /nfs/dbraw/zinc/38/70/12/509387012.db2.gz HQJYIYCYMFVQRO-HNNXBMFYSA-N -1 1 362.744 2.700 20 30 FFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(F)c1 ZINC000183051862 509568189 /nfs/dbraw/zinc/56/81/89/509568189.db2.gz VZRYYQZUANVXNL-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM COc1ncnc(OC)c1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000264696638 509651629 /nfs/dbraw/zinc/65/16/29/509651629.db2.gz PBPKZRNSTJPUMQ-NSHDSACASA-N -1 1 358.423 2.998 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)cn1 ZINC000179957888 509687422 /nfs/dbraw/zinc/68/74/22/509687422.db2.gz NRGXVXSIPHWDRJ-UHFFFAOYSA-N -1 1 367.312 2.649 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1[O-] ZINC000190842596 510368182 /nfs/dbraw/zinc/36/81/82/510368182.db2.gz URNLTSMXWQXIGX-UHFFFAOYSA-N -1 1 369.465 2.909 20 30 FFEDMM N#CC(=C([O-])c1ccnc(O[C@@H]2CCOC2)c1)c1cnc2ccccc2n1 ZINC000190883462 510392327 /nfs/dbraw/zinc/39/23/27/510392327.db2.gz YOPVHUMLZYZNSO-HUUCEWRRSA-N -1 1 360.373 2.683 20 30 FFEDMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000194601260 510440301 /nfs/dbraw/zinc/44/03/01/510440301.db2.gz WXZNFZSYVUWWEK-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(C)o1 ZINC000175350425 510603843 /nfs/dbraw/zinc/60/38/43/510603843.db2.gz TUBZIICYTJQEDV-AWEZNQCLSA-N -1 1 354.815 2.779 20 30 FFEDMM COc1ccc(NC(=O)N2CCC(C(C)C)CC2)cc1[N-]S(C)(=O)=O ZINC000331053546 511040292 /nfs/dbraw/zinc/04/02/92/511040292.db2.gz JOFWUSOORHKKCB-UHFFFAOYSA-N -1 1 369.487 2.980 20 30 FFEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000288673019 511082626 /nfs/dbraw/zinc/08/26/26/511082626.db2.gz WHDBQQUFDZEWHF-LLVKDONJSA-N -1 1 372.365 2.648 20 30 FFEDMM C#CCO[N-]C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000291219489 511162808 /nfs/dbraw/zinc/16/28/08/511162808.db2.gz JIQLGMGMHUALAG-TZIWHRDSSA-N -1 1 362.429 2.848 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000280754968 511589634 /nfs/dbraw/zinc/58/96/34/511589634.db2.gz MTMDSSTWJBSCPM-GXSJLCMTSA-N -1 1 366.302 2.770 20 30 FFEDMM N#Cc1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc(N)c1[N+](=O)[O-] ZINC000367833204 512680721 /nfs/dbraw/zinc/68/07/21/512680721.db2.gz BHZNOLWQPKCLBK-UHFFFAOYSA-N -1 1 366.377 2.854 20 30 FFEDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccco1 ZINC000367882633 512704768 /nfs/dbraw/zinc/70/47/68/512704768.db2.gz ZHFMQVRDUNCUAC-QGZVFWFLSA-N -1 1 358.375 2.821 20 30 FFEDMM Cc1cc(N=C([O-])Nc2nnc(-c3ccccc3)s2)nn1CCC#N ZINC000446034550 513168393 /nfs/dbraw/zinc/16/83/93/513168393.db2.gz DBYXGOOIIJLYTB-UHFFFAOYSA-N -1 1 353.411 2.690 20 30 FFEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)o1 ZINC000440046097 513234414 /nfs/dbraw/zinc/23/44/14/513234414.db2.gz RBZRSMGMCFZNLJ-INIZCTEOSA-N -1 1 366.414 2.660 20 30 FFEDMM C=C[C@](C)(CC)C(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000447678623 513539834 /nfs/dbraw/zinc/53/98/34/513539834.db2.gz LBSYINMBACJKMH-LJQANCHMSA-N -1 1 356.426 2.867 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N2CCc3cc(C#N)ccc32)c(=O)[n-]1 ZINC000416023444 513543926 /nfs/dbraw/zinc/54/39/26/513543926.db2.gz SAQWAGBXKALGCW-UHFFFAOYSA-N -1 1 354.435 2.606 20 30 FFEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000447758233 513563690 /nfs/dbraw/zinc/56/36/90/513563690.db2.gz LETPIYROENFRMI-MRXNPFEDSA-N -1 1 364.467 2.684 20 30 FFEDMM N#CCC1(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000435944987 513723080 /nfs/dbraw/zinc/72/30/80/513723080.db2.gz FJCKRVIOSSZVIC-UHFFFAOYSA-N -1 1 369.446 2.911 20 30 FFEDMM COc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc(Cl)c1[O-] ZINC000442942725 513822122 /nfs/dbraw/zinc/82/21/22/513822122.db2.gz QMELSQVLTGMODD-UHFFFAOYSA-N -1 1 371.824 2.888 20 30 FFEDMM C=CCN(C(=O)c1cc(F)ccc1[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000436556892 513896817 /nfs/dbraw/zinc/89/68/17/513896817.db2.gz RSSURGCLWJWBEA-CYBMUJFWSA-N -1 1 367.384 2.896 20 30 FFEDMM COCC1(C#N)CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436885469 514020346 /nfs/dbraw/zinc/02/03/46/514020346.db2.gz OJRXBBKAAJLMEB-UHFFFAOYSA-N -1 1 353.216 2.547 20 30 FFEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)c2C)o1 ZINC000427282189 514171222 /nfs/dbraw/zinc/17/12/22/514171222.db2.gz SBRZCYRDXURKJI-UHFFFAOYSA-N -1 1 357.395 2.662 20 30 FFEDMM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000438762998 514437432 /nfs/dbraw/zinc/43/74/32/514437432.db2.gz YPEYESMGVXUIRZ-UHFFFAOYSA-N -1 1 365.436 2.941 20 30 FFEDMM Cn1ncc2c1ncc(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)c2[O-] ZINC000452689713 514458803 /nfs/dbraw/zinc/45/88/03/514458803.db2.gz WKDKTHVHCOXUCQ-UHFFFAOYSA-N -1 1 365.393 2.975 20 30 FFEDMM CC(C)(NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1nn[n-]n1 ZINC000475002631 514518649 /nfs/dbraw/zinc/51/86/49/514518649.db2.gz SRFPDFYIIXGNMF-UHFFFAOYSA-N -1 1 362.393 2.723 20 30 FFEDMM COc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1[N-]S(C)(=O)=O ZINC000461905647 514778621 /nfs/dbraw/zinc/77/86/21/514778621.db2.gz UZSPIBDNHAYICK-GFCCVEGCSA-N -1 1 373.434 2.681 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cccc1NC(=O)N(C)C ZINC000475839806 514831554 /nfs/dbraw/zinc/83/15/54/514831554.db2.gz XTRHFKFHAGMAGZ-UHFFFAOYSA-N -1 1 372.450 2.955 20 30 FFEDMM Cc1ccc(F)cc1-c1nnc(NC([O-])=Nc2ccn(CCC#N)n2)s1 ZINC000471340532 514844443 /nfs/dbraw/zinc/84/44/43/514844443.db2.gz LYJXRDLDECPRBB-UHFFFAOYSA-N -1 1 371.401 2.829 20 30 FFEDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000471988630 515077896 /nfs/dbraw/zinc/07/78/96/515077896.db2.gz LTDIANIOGAJESS-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1nc(C2CCCCC2)no1 ZINC000477580227 515514360 /nfs/dbraw/zinc/51/43/60/515514360.db2.gz CEXUAGYNAFZHCO-GFCCVEGCSA-N -1 1 352.460 2.792 20 30 FFEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506731113 515965791 /nfs/dbraw/zinc/96/57/91/515965791.db2.gz PLLWGLRLQZIVGU-UHFFFAOYSA-N -1 1 360.391 2.764 20 30 FFEDMM C=C(C)[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccc(F)c(F)c1 ZINC000478917360 516008148 /nfs/dbraw/zinc/00/81/48/516008148.db2.gz KFCAOKBOZPKLNE-HNNXBMFYSA-N -1 1 358.348 2.999 20 30 FFEDMM Cc1ccc2[nH]c3c(c2c1)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)CC3 ZINC000561530527 516633831 /nfs/dbraw/zinc/63/38/31/516633831.db2.gz XNFBJSGMQFBBGG-LBPRGKRZSA-N -1 1 355.419 2.777 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)ccc1C#N ZINC000551475824 516725180 /nfs/dbraw/zinc/72/51/80/516725180.db2.gz ZUTQUPQSRZLWFU-UHFFFAOYSA-N -1 1 353.403 2.519 20 30 FFEDMM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cn1 ZINC000545370908 517205335 /nfs/dbraw/zinc/20/53/35/517205335.db2.gz ZZJOJZYDEBFLDF-UHFFFAOYSA-N -1 1 351.378 2.754 20 30 FFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000515975095 517524895 /nfs/dbraw/zinc/52/48/95/517524895.db2.gz MQVFSZAPXRCSDQ-UHFFFAOYSA-N -1 1 358.419 2.937 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1[O-] ZINC000527495814 517708580 /nfs/dbraw/zinc/70/85/80/517708580.db2.gz GEMWLJSCLWLKBK-KRWDZBQOSA-N -1 1 367.449 2.519 20 30 FFEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3nc(C)ccc3C#N)c2)n1 ZINC000553565490 517786049 /nfs/dbraw/zinc/78/60/49/517786049.db2.gz DRPTWGIAHLFANN-UHFFFAOYSA-N -1 1 362.393 2.836 20 30 FFEDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000576692927 518714791 /nfs/dbraw/zinc/71/47/91/518714791.db2.gz NGHLAORUVJQLKP-UHFFFAOYSA-N -1 1 364.810 2.728 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3)c2)o1 ZINC000588110760 518728579 /nfs/dbraw/zinc/72/85/79/518728579.db2.gz PDWKJPXEGNIYKF-UHFFFAOYSA-N -1 1 355.375 2.817 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(CCC#N)CC2)o1 ZINC000573728216 518807693 /nfs/dbraw/zinc/80/76/93/518807693.db2.gz JNGFMGOAOQBNCP-UHFFFAOYSA-N -1 1 367.471 2.512 20 30 FFEDMM CCc1ccc(CN2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)s1 ZINC000589183819 518944640 /nfs/dbraw/zinc/94/46/40/518944640.db2.gz SDTANXUUGMQGFJ-UHFFFAOYSA-N -1 1 355.463 2.846 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000589197141 518947099 /nfs/dbraw/zinc/94/70/99/518947099.db2.gz CKYCDSWBPJOCDE-SFHVURJKSA-N -1 1 367.449 2.519 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCNc2cccc(Br)c2)c1 ZINC000589197834 518947298 /nfs/dbraw/zinc/94/72/98/518947298.db2.gz DUNDXXCCCPVGAM-UHFFFAOYSA-N -1 1 360.211 2.868 20 30 FFEDMM N#C[C@@]1(F)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000589492495 519016570 /nfs/dbraw/zinc/01/65/70/519016570.db2.gz RHGZPTDJDXQYIQ-HNNXBMFYSA-N -1 1 364.174 2.781 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000572086720 519434559 /nfs/dbraw/zinc/43/45/59/519434559.db2.gz QMIWWWKFOCHACZ-UHFFFAOYSA-N -1 1 353.407 2.898 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)cc1F ZINC000581104678 519524062 /nfs/dbraw/zinc/52/40/62/519524062.db2.gz UJLDEOALGRELEX-UHFFFAOYSA-N -1 1 356.382 2.743 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612369279 519924568 /nfs/dbraw/zinc/92/45/68/519924568.db2.gz QZQRPTPRPZSOFQ-HXUWFJFHSA-N -1 1 365.437 2.638 20 30 FFEDMM COC(=O)c1cnc(C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)s1 ZINC000600276367 520174171 /nfs/dbraw/zinc/17/41/71/520174171.db2.gz PSZFLNYVCZHZPB-UHFFFAOYSA-N -1 1 371.418 2.527 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1[O-] ZINC000600311150 520197690 /nfs/dbraw/zinc/19/76/90/520197690.db2.gz OJAODZJLSMIJGO-QGZVFWFLSA-N -1 1 371.824 2.552 20 30 FFEDMM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000610339757 520641701 /nfs/dbraw/zinc/64/17/01/520641701.db2.gz KBVZTADVWRUACC-UHFFFAOYSA-N -1 1 362.382 2.861 20 30 FFEDMM COc1ccc(C2(NC(=O)c3cc([O-])cc(C#N)c3)CCOCC2)cc1 ZINC000598537804 520689328 /nfs/dbraw/zinc/68/93/28/520689328.db2.gz PTUBJFZSYFYHIL-UHFFFAOYSA-N -1 1 352.390 2.708 20 30 FFEDMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)cc12 ZINC000593197670 520820392 /nfs/dbraw/zinc/82/03/92/520820392.db2.gz IDYAEYNOIAPDPR-UHFFFAOYSA-N -1 1 369.450 2.879 20 30 FFEDMM C[C@@H]1CCc2sc([N-]C(=O)c3nc4ncccn4n3)c(C#N)c2[C@@H]1C ZINC000598842340 520871977 /nfs/dbraw/zinc/87/19/77/520871977.db2.gz BJDMFZIGPIYVAN-NXEZZACHSA-N -1 1 352.423 2.996 20 30 FFEDMM C[C@H]1c2c(C#N)c([N-]C(=O)c3nc4ncccn4n3)sc2CC[C@@H]1C ZINC000598842342 520872044 /nfs/dbraw/zinc/87/20/44/520872044.db2.gz BJDMFZIGPIYVAN-VHSXEESVSA-N -1 1 352.423 2.996 20 30 FFEDMM COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1N1CCCC1=O ZINC000614293943 520895534 /nfs/dbraw/zinc/89/55/34/520895534.db2.gz FZZRSMSLHWTWPH-UHFFFAOYSA-N -1 1 351.362 2.652 20 30 FFEDMM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(C4CC4)no3)sc2C1 ZINC000598891462 520905541 /nfs/dbraw/zinc/90/55/41/520905541.db2.gz QJNCWRSWGFUOKZ-UHFFFAOYSA-N -1 1 356.407 2.642 20 30 FFEDMM Cn1cnnc1Sc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614358683 520924983 /nfs/dbraw/zinc/92/49/83/520924983.db2.gz NKONUMQBJQHLCN-UHFFFAOYSA-N -1 1 351.391 2.796 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(COC3CCOCC3)c2)c1 ZINC000614367417 520927964 /nfs/dbraw/zinc/92/79/64/520927964.db2.gz PFHSFVNKWJBELV-UHFFFAOYSA-N -1 1 366.417 2.889 20 30 FFEDMM N#Cc1ccnc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000618609848 521143931 /nfs/dbraw/zinc/14/39/31/521143931.db2.gz KEIFFWVCVBHVPC-UHFFFAOYSA-N -1 1 357.313 2.794 20 30 FFEDMM N#Cc1ccccc1NC1CCN(C(=O)c2csc(=NC3CC3)[n-]2)CC1 ZINC000602188639 521198647 /nfs/dbraw/zinc/19/86/47/521198647.db2.gz CZZFFTSLJMHHHJ-UHFFFAOYSA-N -1 1 367.478 2.728 20 30 FFEDMM CC(C)(C#N)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000611688901 521281002 /nfs/dbraw/zinc/28/10/02/521281002.db2.gz QIKRLAIONVTGFM-UHFFFAOYSA-N -1 1 357.435 2.767 20 30 FFEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000615145888 521292734 /nfs/dbraw/zinc/29/27/34/521292734.db2.gz RKZOCSHSROVVHD-UHFFFAOYSA-N -1 1 355.369 2.918 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1[O-] ZINC000615469953 521414652 /nfs/dbraw/zinc/41/46/52/521414652.db2.gz WHMQHRKELOVSLH-LBPRGKRZSA-N -1 1 357.360 2.798 20 30 FFEDMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461868 521579101 /nfs/dbraw/zinc/57/91/01/521579101.db2.gz XNDBKMHVBNDINE-UHFFFAOYSA-N -1 1 357.435 2.693 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1 ZINC000619461640 521579345 /nfs/dbraw/zinc/57/93/45/521579345.db2.gz IYHNGERWYMXQTL-UHFFFAOYSA-N -1 1 355.419 2.902 20 30 FFEDMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461955 521580432 /nfs/dbraw/zinc/58/04/32/521580432.db2.gz JVJNQLFIFOJVDG-UHFFFAOYSA-N -1 1 371.462 2.939 20 30 FFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000628143043 523378187 /nfs/dbraw/zinc/37/81/87/523378187.db2.gz ZVIAKLSNSSPGPO-BETUJISGSA-N -1 1 354.406 2.869 20 30 FFEDMM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)nc1)CCCCC2 ZINC000737705276 598980786 /nfs/dbraw/zinc/98/07/86/598980786.db2.gz NNSFPRSWKHNUDT-UHFFFAOYSA-N -1 1 365.422 2.716 20 30 FFEDMM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)nc1)CCCCC2 ZINC000737705276 598980787 /nfs/dbraw/zinc/98/07/87/598980787.db2.gz NNSFPRSWKHNUDT-UHFFFAOYSA-N -1 1 365.422 2.716 20 30 FFEDMM C=CCc1cc(OCC)ccc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735443440 599148503 /nfs/dbraw/zinc/14/85/03/599148503.db2.gz VSAFWQPNNBXLRL-UHFFFAOYSA-N -1 1 351.366 2.608 20 30 FFEDMM C=CCc1cc(OCC)ccc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735443440 599148505 /nfs/dbraw/zinc/14/85/05/599148505.db2.gz VSAFWQPNNBXLRL-UHFFFAOYSA-N -1 1 351.366 2.608 20 30 FFEDMM CN=c1scc(-c2ccc(F)cc2)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000736865257 599324350 /nfs/dbraw/zinc/32/43/50/599324350.db2.gz BAKJJFPNZLKNEF-UHFFFAOYSA-N -1 1 369.385 2.542 20 30 FFEDMM CN=c1scc(-c2ccc(F)cc2)n1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000736865257 599324353 /nfs/dbraw/zinc/32/43/53/599324353.db2.gz BAKJJFPNZLKNEF-UHFFFAOYSA-N -1 1 369.385 2.542 20 30 FFEDMM O=C([O-])c1ccc2[nH]cc(C=Nn3c(=O)c4ccccc4[nH]c3=S)c2c1 ZINC000740190723 600182099 /nfs/dbraw/zinc/18/20/99/600182099.db2.gz PPUJYBHDEBXYIE-UHFFFAOYSA-N -1 1 364.386 2.747 20 30 FFEDMM N#CCCn1cc(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c2ccccc21 ZINC000739075677 600288346 /nfs/dbraw/zinc/28/83/46/600288346.db2.gz LMBSTOOYKGOOAD-KRWDZBQOSA-N -1 1 365.433 2.924 20 30 FFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])c1C#N ZINC000738254525 600369427 /nfs/dbraw/zinc/36/94/27/600369427.db2.gz YFDWGHFOPJUBTE-CYBMUJFWSA-N -1 1 368.437 2.557 20 30 FFEDMM CC(C)(C)OC(=O)N1CCCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736278349 600570862 /nfs/dbraw/zinc/57/08/62/600570862.db2.gz HBFGLACJFPFFLX-MRXNPFEDSA-N -1 1 359.426 2.627 20 30 FFEDMM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(C#N)c1 ZINC000827727041 600693885 /nfs/dbraw/zinc/69/38/85/600693885.db2.gz FJGUPEFOWKFJCT-XHDPSFHLSA-N -1 1 355.419 2.774 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000827217381 601173134 /nfs/dbraw/zinc/17/31/34/601173134.db2.gz CLQCIMQJJFTJCM-SGTLLEGYSA-N -1 1 361.467 2.862 20 30 FFEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(O[C@H]2CCOC2)c1 ZINC000832933392 602149804 /nfs/dbraw/zinc/14/98/04/602149804.db2.gz ADNIWIIJDKJIEJ-AZUAARDMSA-N -1 1 366.417 2.950 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738492523 602774610 /nfs/dbraw/zinc/77/46/10/602774610.db2.gz SVRAOJMDCVVOGU-DZKIICNBSA-N -1 1 365.499 2.629 20 30 FFEDMM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000825893658 603560210 /nfs/dbraw/zinc/56/02/10/603560210.db2.gz AKTWIVUUYHXIDY-BFUOFWGJSA-N -1 1 369.425 2.914 20 30 FFEDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000833421666 604954134 /nfs/dbraw/zinc/95/41/34/604954134.db2.gz XFUACYZSYHMXKP-CYBMUJFWSA-N -1 1 363.845 2.973 20 30 FFEDMM CC[C@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2cccnc2)ccc1OC ZINC000828585964 605001993 /nfs/dbraw/zinc/00/19/93/605001993.db2.gz BIAWMQCXVLXZNA-CRAIPNDOSA-N -1 1 355.394 2.687 20 30 FFEDMM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000833404989 605039803 /nfs/dbraw/zinc/03/98/03/605039803.db2.gz ALUOFKYTOHYPBZ-SNVBAGLBSA-N -1 1 371.365 2.576 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)cc2OC(F)F)o1 ZINC000819782521 606205088 /nfs/dbraw/zinc/20/50/88/606205088.db2.gz MRHVTQNJTJFZOF-UHFFFAOYSA-N -1 1 367.291 2.740 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(N2CCOC2=O)c1 ZINC000822924268 606391641 /nfs/dbraw/zinc/39/16/41/606391641.db2.gz ZRECKUAUBQXQFF-XQRVVYSFSA-N -1 1 367.390 2.781 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)Cc2nc3ccccc3s2)o1 ZINC000820307881 606433833 /nfs/dbraw/zinc/43/38/33/606433833.db2.gz QOPHWYVIXMODHE-UHFFFAOYSA-N -1 1 354.399 2.803 20 30 FFEDMM Cc1cc2cc(C=Nn3c(C)cc(C)c(-c4nn[n-]n4)c3=O)oc2cc1C ZINC000822212832 606618598 /nfs/dbraw/zinc/61/85/98/606618598.db2.gz IVIQNRURZGCCTN-UHFFFAOYSA-N -1 1 362.393 2.890 20 30 FFEDMM Cc1cccc2ncc(CN=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)n21 ZINC000826305491 607887735 /nfs/dbraw/zinc/88/77/35/607887735.db2.gz YMAZZMWJZJEHGA-UHFFFAOYSA-N -1 1 365.401 2.554 20 30 FFEDMM CCc1cnccc1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000825735351 608228680 /nfs/dbraw/zinc/22/86/80/608228680.db2.gz RCSTTZPBQVRTFR-UHFFFAOYSA-N -1 1 354.418 2.847 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCOc3cc(Cl)ccc32)o1 ZINC000826323274 608389189 /nfs/dbraw/zinc/38/91/89/608389189.db2.gz XWMWZXODPSAFCE-UHFFFAOYSA-N -1 1 359.777 2.805 20 30 FFEDMM COc1cc(C)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c(C)n1 ZINC000826178158 609374160 /nfs/dbraw/zinc/37/41/60/609374160.db2.gz MEIFKGLQNNBBDU-UHFFFAOYSA-N -1 1 370.417 2.619 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cc3ccccc3o2)cc1 ZINC000746491657 735487719 /nfs/dbraw/zinc/48/77/19/735487719.db2.gz HEOJNVSDOSUOFD-UHFFFAOYSA-N -1 1 359.363 2.795 20 30 FFEDMM C#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000170718356 728986940 /nfs/dbraw/zinc/98/69/40/728986940.db2.gz XXTSNMCETIAYFX-UHFFFAOYSA-N -1 1 365.357 2.946 20 30 FFEDMM CCC(Nc1ccc(C#N)cc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000192695707 729456292 /nfs/dbraw/zinc/45/62/92/729456292.db2.gz FHNUQLAETNIUNI-CCEZHUSRSA-N -1 1 356.451 2.534 20 30 FFEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000859424314 730454340 /nfs/dbraw/zinc/45/43/40/730454340.db2.gz PBVGYHXBFVAMTF-SECBINFHSA-N -1 1 354.230 2.839 20 30 FFEDMM CC(=NN(C)C[C@@H](C)O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863119261 730751036 /nfs/dbraw/zinc/75/10/36/730751036.db2.gz AYYSVXGYIDZBLU-CQSZACIVSA-N -1 1 361.467 2.524 20 30 FFEDMM CCc1nc(C#N)cc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)n1 ZINC000866125705 731032797 /nfs/dbraw/zinc/03/27/97/731032797.db2.gz ODXPMENTSMKNGJ-UHFFFAOYSA-N -1 1 357.845 2.592 20 30 FFEDMM C[C@@H](OC(=O)Cc1ccc([O-])c(Cl)c1)C(=O)NC1(C#N)CCCCC1 ZINC000869736525 731434156 /nfs/dbraw/zinc/43/41/56/731434156.db2.gz JNHMYILMAYJFCN-GFCCVEGCSA-N -1 1 364.829 2.862 20 30 FFEDMM Cc1nc(O[C@H](C)C(F)(F)F)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000870288773 731492302 /nfs/dbraw/zinc/49/23/02/731492302.db2.gz XSTMDJSFRXEVAY-ZYHUDNBSSA-N -1 1 350.300 3.000 20 30 FFEDMM Cc1cc(Br)c([O-])c(C=NNS(=O)(=O)c2ccccc2)c1 ZINC000781572258 738637915 /nfs/dbraw/zinc/63/79/15/738637915.db2.gz RGQFZAAFVRUYOG-UHFFFAOYSA-N -1 1 369.240 2.776 20 30 FFEDMM Cc1cc(Br)c([O-])c(CN2CCN(C3CC3)[C@H](C#N)C2)c1 ZINC000781914002 738672146 /nfs/dbraw/zinc/67/21/46/738672146.db2.gz VPVQXDOQMXBMCD-CQSZACIVSA-N -1 1 350.260 2.635 20 30 FFEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882239169 733195833 /nfs/dbraw/zinc/19/58/33/733195833.db2.gz YYFRNUSTXVPSLP-ZJUUUORDSA-N -1 1 370.780 2.766 20 30 FFEDMM C[S@](=O)(=NS(=O)(=O)[N-]c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000882692282 733272715 /nfs/dbraw/zinc/27/27/15/733272715.db2.gz DFVXXVHHUPXYDZ-JOCHJYFZSA-N -1 1 359.448 2.785 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(C)sc1C ZINC000748248549 735630122 /nfs/dbraw/zinc/63/01/22/735630122.db2.gz QRYLYLGTHOQPHP-UHFFFAOYSA-N -1 1 353.425 2.976 20 30 FFEDMM C[C@H]1CCc2c(F)cccc2C1=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000748251574 735630766 /nfs/dbraw/zinc/63/07/66/735630766.db2.gz XUKAXUCMDPMGNI-NSHDSACASA-N -1 1 357.410 2.851 20 30 FFEDMM CC1(C)COc2c(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)cnn2C1 ZINC000901907608 735865507 /nfs/dbraw/zinc/86/55/07/735865507.db2.gz PCJUKXFZFLYXAG-UHFFFAOYSA-N -1 1 366.830 2.628 20 30 FFEDMM C=CCOc1c(Cl)cc(CN2CC[C@H](OC)C[C@@H]2C(=O)[O-])cc1OC ZINC000902031919 735895561 /nfs/dbraw/zinc/89/55/61/735895561.db2.gz IKJUGBMDSWODPO-DZGCQCFKSA-N -1 1 369.845 2.977 20 30 FFEDMM CCc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000752164835 735962496 /nfs/dbraw/zinc/96/24/96/735962496.db2.gz MBYLPJFFJGHFDO-UHFFFAOYSA-N -1 1 351.384 2.594 20 30 FFEDMM Cc1nc2ccc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)cc2s1 ZINC000754931569 736216905 /nfs/dbraw/zinc/21/69/05/736216905.db2.gz BBRNQJIIIUARCL-UHFFFAOYSA-N -1 1 356.432 2.677 20 30 FFEDMM COc1cccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2nccs2)c1OC ZINC000756748825 736357976 /nfs/dbraw/zinc/35/79/76/736357976.db2.gz UQGTWZWXFGROQU-SNVBAGLBSA-N -1 1 353.350 2.633 20 30 FFEDMM CC(C)c1nn(-c2ccccc2)c(Cl)c1C=Nn1c(=O)cn[n-]c1=S ZINC000766475646 737232928 /nfs/dbraw/zinc/23/29/28/737232928.db2.gz VBOFTBWCIRZLNS-UHFFFAOYSA-N -1 1 374.857 2.772 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914245869 737537999 /nfs/dbraw/zinc/53/79/99/737537999.db2.gz PEAGAZVFCRXTDD-JOCHJYFZSA-N -1 1 368.402 2.671 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(F)c(Cl)c1 ZINC000915962953 737668000 /nfs/dbraw/zinc/66/80/00/737668000.db2.gz ZLAAZVRPWAJJBR-UHFFFAOYSA-N -1 1 351.790 2.942 20 30 FFEDMM C#CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000773288570 737888362 /nfs/dbraw/zinc/88/83/62/737888362.db2.gz DAYYSUOXFUYFJV-UHFFFAOYSA-N -1 1 354.628 2.932 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000776268139 738176212 /nfs/dbraw/zinc/17/62/12/738176212.db2.gz AYUGCZPTWVIEEF-CYBMUJFWSA-N -1 1 360.410 2.686 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000777934091 738332629 /nfs/dbraw/zinc/33/26/29/738332629.db2.gz UUBIUNFDDRTTNN-UHFFFAOYSA-N -1 1 364.354 2.855 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(CC#N)cc1 ZINC000785254466 738949374 /nfs/dbraw/zinc/94/93/74/738949374.db2.gz PLUPGVTVGKZCEJ-UHFFFAOYSA-N -1 1 358.419 2.871 20 30 FFEDMM C[C@H]1COC(=O)C1=NN=c1cc(C(F)(F)F)[n-]c(-c2ccccn2)n1 ZINC000794913464 739941740 /nfs/dbraw/zinc/94/17/40/739941740.db2.gz UUDVHKQGJMFJFT-QMMMGPOBSA-N -1 1 351.288 2.518 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1coc(C(C)C)n1 ZINC000799479660 740421694 /nfs/dbraw/zinc/42/16/94/740421694.db2.gz ZXVJGGPFHRZUFK-UHFFFAOYSA-N -1 1 366.399 2.550 20 30 FFEDMM N#Cc1cc(COC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])ccn1 ZINC000801375417 740614791 /nfs/dbraw/zinc/61/47/91/740614791.db2.gz LXXQOAHXMYDMKE-UHFFFAOYSA-N -1 1 354.753 2.855 20 30 FFEDMM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C#N)o1)NC(=O)OC(C)(C)C ZINC000805020468 740927131 /nfs/dbraw/zinc/92/71/31/740927131.db2.gz URWRNXZOXOIGKO-UHFFFAOYSA-N -1 1 371.459 2.513 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000807790506 741158965 /nfs/dbraw/zinc/15/89/65/741158965.db2.gz PLZRWILUOJVJRF-HNNXBMFYSA-N -1 1 350.296 2.746 20 30 FFEDMM N#Cc1ccccc1NC(=S)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811712229 741551715 /nfs/dbraw/zinc/55/17/15/741551715.db2.gz MHFBGLJTQHZQLD-NSHDSACASA-N -1 1 370.400 2.646 20 30 FFEDMM CC(=O)c1ccc(C#N)cc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811856463 741568097 /nfs/dbraw/zinc/56/80/97/741568097.db2.gz PJBFIVWEHCIWPU-CYBMUJFWSA-N -1 1 353.344 2.656 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc3ccccc3c2O)c2ccccc21 ZINC000814798973 741866193 /nfs/dbraw/zinc/86/61/93/741866193.db2.gz RGNSAECCVAAODI-UHFFFAOYSA-N -1 1 351.387 2.618 20 30 FFEDMM C=C(C)C(C)(C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000821444058 742628581 /nfs/dbraw/zinc/62/85/81/742628581.db2.gz AWCZRLFXWKKMOK-UHFFFAOYSA-N -1 1 355.337 2.690 20 30 FFEDMM C=CCCC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000823894608 742996913 /nfs/dbraw/zinc/99/69/13/742996913.db2.gz UVYSXRRTPRORCC-JTQLQIEISA-N -1 1 355.851 2.543 20 30 FFEDMM C=CCCC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000823894608 742996916 /nfs/dbraw/zinc/99/69/16/742996916.db2.gz UVYSXRRTPRORCC-JTQLQIEISA-N -1 1 355.851 2.543 20 30 FFEDMM CSc1nc(C)c(CCC(=O)NCc2ccc(C)c(C#N)c2)c(=O)[n-]1 ZINC000831803541 745586658 /nfs/dbraw/zinc/58/66/58/745586658.db2.gz AQTUCESRVYJPLM-UHFFFAOYSA-N -1 1 356.451 2.642 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)OCC ZINC000832550360 745718016 /nfs/dbraw/zinc/71/80/16/745718016.db2.gz PJSIJERKSDXWTI-SNVBAGLBSA-N -1 1 367.254 2.565 20 30 FFEDMM N#C[C@@H](C(=O)[C@H]1CCC(=O)C1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000842681728 747658717 /nfs/dbraw/zinc/65/87/17/747658717.db2.gz HPTPBWLHZVDRMQ-CABZTGNLSA-N -1 1 355.419 2.821 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CCOCC1 ZINC000851826893 749690871 /nfs/dbraw/zinc/69/08/71/749690871.db2.gz BAUQEDVYUFJFRO-LLVKDONJSA-N -1 1 366.241 2.839 20 30 FFEDMM C=C(C)COc1cccc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001573294240 946983022 /nfs/dbraw/zinc/98/30/22/946983022.db2.gz ZIIDZKDJLQJUGN-UHFFFAOYSA-N -1 1 371.426 2.600 20 30 FFEDMM C=C(C)COc1cccc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001573294240 946983026 /nfs/dbraw/zinc/98/30/26/946983026.db2.gz ZIIDZKDJLQJUGN-UHFFFAOYSA-N -1 1 371.426 2.600 20 30 FFEDMM CCc1ccc(-c2nc(Cn3cnc(C#N)c3-c3nn[n-]n3)cs2)cc1 ZINC000825700716 947291269 /nfs/dbraw/zinc/29/12/69/947291269.db2.gz QKBRBGWJJOHURH-UHFFFAOYSA-N -1 1 362.422 2.669 20 30 FFEDMM C=CCCCC(=O)NC[C@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573335314 947475120 /nfs/dbraw/zinc/47/51/20/947475120.db2.gz XHHCPRGWUVJUKM-LBPRGKRZSA-N -1 1 363.491 2.541 20 30 FFEDMM N#Cc1ncn(CC(=O)c2ccc(Oc3ccccc3)cc2)c1-c1nn[n-]n1 ZINC000826388198 948194046 /nfs/dbraw/zinc/19/40/46/948194046.db2.gz MPDSBMVRIIARRQ-UHFFFAOYSA-N -1 1 371.360 2.610 20 30 FFEDMM C#C[C@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C1CCOCC1 ZINC000825665401 1013426614 /nfs/dbraw/zinc/42/66/14/1013426614.db2.gz ABBTYGURPSIROO-KRWDZBQOSA-N -1 1 353.374 2.623 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(OC)ns1)c1ccc(Cl)cc1F ZINC001211818959 978004004 /nfs/dbraw/zinc/00/40/04/978004004.db2.gz ISELZBZTYFXGTM-LLVKDONJSA-N -1 1 360.819 2.597 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(F)cc2cccnc12 ZINC000760260606 981048237 /nfs/dbraw/zinc/04/82/37/981048237.db2.gz PDGRQYDWKRSFNX-UHFFFAOYSA-N -1 1 374.353 2.595 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccc(F)cc1 ZINC001211945905 981233425 /nfs/dbraw/zinc/23/34/25/981233425.db2.gz HUOWNTPQLSQUDG-HJPURHCSSA-N -1 1 372.487 2.765 20 30 FFEDMM CCCN(CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccc(C#N)cc1 ZINC001595843134 982763749 /nfs/dbraw/zinc/76/37/49/982763749.db2.gz INEPNFJWWGUZIK-UHFFFAOYSA-N -1 1 357.454 2.674 20 30 FFEDMM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595009164 982932788 /nfs/dbraw/zinc/93/27/88/982932788.db2.gz FYBGWUBDOXKUIP-GXFFZTMASA-N -1 1 355.350 2.847 20 30 FFEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595009164 982932795 /nfs/dbraw/zinc/93/27/95/982932795.db2.gz FYBGWUBDOXKUIP-GXFFZTMASA-N -1 1 355.350 2.847 20 30 FFEDMM COc1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1OCc1cccnc1 ZINC000915047297 988170121 /nfs/dbraw/zinc/17/01/21/988170121.db2.gz IKLFBIFWBJCHDL-UHFFFAOYSA-N -1 1 365.393 2.919 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N=C2C[C@H](C)ON2)cc1 ZINC000763257825 989322261 /nfs/dbraw/zinc/32/22/61/989322261.db2.gz FETIICOJOKEDFI-ZDUSSCGKSA-N -1 1 373.434 2.648 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OCc2cccnc2)c(=O)o1 ZINC000915981835 989720100 /nfs/dbraw/zinc/72/01/00/989720100.db2.gz ZFEGBCIAWXNCAY-NDDJGDGRSA-N -1 1 363.369 2.889 20 30 FFEDMM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809649081 994566382 /nfs/dbraw/zinc/56/63/82/994566382.db2.gz YCWBHTCINNDAAS-HNNXBMFYSA-N -1 1 359.426 2.735 20 30 FFEDMM Cn1cnc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000810530174 994811727 /nfs/dbraw/zinc/81/17/27/994811727.db2.gz XNSKCRMMVJCCQO-AWEZNQCLSA-N -1 1 361.361 2.569 20 30 FFEDMM C#C[C@H](CC)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000812024976 995324783 /nfs/dbraw/zinc/32/47/83/995324783.db2.gz YJVLZGITVPSDEJ-MRXNPFEDSA-N -1 1 371.462 2.698 20 30 FFEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000824366664 996916333 /nfs/dbraw/zinc/91/63/33/996916333.db2.gz JDEDHRXUNNVCSF-WCQYABFASA-N -1 1 368.359 2.987 20 30 FFEDMM O=c1nc(N=NC(=CCc2ccccc2)c2ccccc2)nc2[nH][n-]cc1-2 ZINC000731155886 997717583 /nfs/dbraw/zinc/71/75/83/997717583.db2.gz WFFKSKHZCONMGH-AIISASODSA-N -1 1 356.389 2.962 20 30 FFEDMM CCn1c(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)nc2ccccc2c1=O ZINC000844572476 997997056 /nfs/dbraw/zinc/99/70/56/997997056.db2.gz OCAPNYLEODYJAB-UHFFFAOYSA-N -1 1 374.404 2.541 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CN2CCOC2=O)cc1 ZINC000740811263 999684935 /nfs/dbraw/zinc/68/49/35/999684935.db2.gz YGXWMXHITVMNDJ-UHFFFAOYSA-N -1 1 371.418 2.620 20 30 FFEDMM N#Cc1cccc(-c2nnc(COC(=O)c3c([O-])cc(F)cc3F)o2)c1 ZINC000744879817 999882063 /nfs/dbraw/zinc/88/20/63/999882063.db2.gz HQPURZRSXDOGEE-UHFFFAOYSA-N -1 1 357.272 2.949 20 30 FFEDMM CCN(C)[C@@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000745101544 999892965 /nfs/dbraw/zinc/89/29/65/999892965.db2.gz VRYFAOLYCJCGBQ-DOTOQJQBSA-N -1 1 371.462 2.864 20 30 FFEDMM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000769819981 1000598912 /nfs/dbraw/zinc/59/89/12/1000598912.db2.gz ZTHONDDHYXJTKV-UHFFFAOYSA-N -1 1 366.303 2.804 20 30 FFEDMM CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccc(F)cc1[O-] ZINC000769811715 1000610162 /nfs/dbraw/zinc/61/01/62/1000610162.db2.gz COICHOCPDLZUQV-UHFFFAOYSA-N -1 1 358.377 2.968 20 30 FFEDMM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc(OC)c2[O-])c(C)c1O ZINC001148203113 1001084249 /nfs/dbraw/zinc/08/42/49/1001084249.db2.gz YINUKRLVUSFPST-UHFFFAOYSA-N -1 1 370.361 2.716 20 30 FFEDMM N#CC1(NC(=O)c2cc([O-])c(Br)c(O)c2)Cc2ccccc2C1 ZINC001148998888 1001242432 /nfs/dbraw/zinc/24/24/32/1001242432.db2.gz QDGJTCIYZZNDJC-UHFFFAOYSA-N -1 1 373.206 2.651 20 30 FFEDMM COc1c([O-])c(C=NN2C(=S)N=NC2c2ccccc2)ccc1[N+](=O)[O-] ZINC000773006151 1001922592 /nfs/dbraw/zinc/92/25/92/1001922592.db2.gz QWEQIFTVNAPOEE-UHFFFAOYSA-N -1 1 371.378 2.738 20 30 FFEDMM CSc1nc(NC(=O)c2cc(Cl)c(C#N)c(Cl)n2)cc(=O)[n-]1 ZINC001184795969 1002720703 /nfs/dbraw/zinc/72/07/03/1002720703.db2.gz GQWGYVSPYRTRFW-UHFFFAOYSA-N -1 1 356.194 2.730 20 30 FFEDMM COc1ccc(NN=Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c([N+](=O)[O-])c1 ZINC000773067426 1002727769 /nfs/dbraw/zinc/72/77/69/1002727769.db2.gz HRCLZUMSFKYCNS-UHFFFAOYSA-N -1 1 362.298 2.672 20 30 FFEDMM Cc1cc([O-])c(C(=O)N[C@H](C#N)CC(C)C)cc1I ZINC001196139029 1003676061 /nfs/dbraw/zinc/67/60/61/1003676061.db2.gz MJRUEKLTEQVPOL-JTQLQIEISA-N -1 1 372.206 2.973 20 30 FFEDMM CNC(=O)C1CCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)CC1 ZINC001196298421 1003739386 /nfs/dbraw/zinc/73/93/86/1003739386.db2.gz UUCCMMBCLDOKHG-UHFFFAOYSA-N -1 1 363.417 2.529 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCc4nccn4CC3)c2)c1 ZINC001196316451 1003752799 /nfs/dbraw/zinc/75/27/99/1003752799.db2.gz VUCZVYXKRGFMRL-UHFFFAOYSA-N -1 1 358.401 2.826 20 30 FFEDMM N#Cc1cnc([N-]C(=O)c2cc(Br)no2)c(Br)c1 ZINC001191328927 1003785314 /nfs/dbraw/zinc/78/53/14/1003785314.db2.gz JWLXCJDZMTZGCV-UHFFFAOYSA-N -1 1 371.976 2.719 20 30 FFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001196690484 1003935613 /nfs/dbraw/zinc/93/56/13/1003935613.db2.gz ONGFEYTYWJAFBK-UHFFFAOYSA-N -1 1 374.809 2.904 20 30 FFEDMM N#Cc1cccc(-c2cc(C(=O)[N-]c3n[nH]c(-c4ccncc4)n3)no2)c1 ZINC001196759293 1003936881 /nfs/dbraw/zinc/93/68/81/1003936881.db2.gz JHIQSUDQYWRBLA-UHFFFAOYSA-N -1 1 357.333 2.646 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccnc2F)ccc1Br ZINC001197278837 1004160232 /nfs/dbraw/zinc/16/02/32/1004160232.db2.gz BZPZWEYCKMEPIP-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(C#N)cc2[O-])cn1 ZINC001197413734 1004214324 /nfs/dbraw/zinc/21/43/24/1004214324.db2.gz DKLJPZZETRHWNX-UHFFFAOYSA-N -1 1 368.393 2.936 20 30 FFEDMM N#Cc1c([O-])csc1NC(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC001192646991 1004231697 /nfs/dbraw/zinc/23/16/97/1004231697.db2.gz RNQGTNGOYWOQNT-UHFFFAOYSA-N -1 1 362.386 2.945 20 30 FFEDMM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1cc([O-])cc(F)c1F)CCO2 ZINC001192663994 1004243457 /nfs/dbraw/zinc/24/34/57/1004243457.db2.gz IFXYOXDUSRPLES-BFUOFWGJSA-N -1 1 367.392 2.884 20 30 FFEDMM N#CC1(NC(=O)c2ccc([O-])c(F)c2F)CCN(Cc2ccccc2)CC1 ZINC001192842802 1004300866 /nfs/dbraw/zinc/30/08/66/1004300866.db2.gz MBYLKWUYVLOUGF-UHFFFAOYSA-N -1 1 371.387 2.959 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)ccc1O ZINC001193796306 1004584162 /nfs/dbraw/zinc/58/41/62/1004584162.db2.gz SQOAEDXBOZBFTJ-UHFFFAOYSA-N -1 1 371.187 2.966 20 30 FFEDMM C=C(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)OCC ZINC001194187717 1004675373 /nfs/dbraw/zinc/67/53/73/1004675373.db2.gz XBNWNVZWIIUXKH-JTQLQIEISA-N -1 1 367.254 2.565 20 30 FFEDMM Cc1c[nH]nc1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001195892288 1005060834 /nfs/dbraw/zinc/06/08/34/1005060834.db2.gz IMNDWAASFOKGQD-CAOOACKPSA-N -1 1 354.395 2.505 20 30 FFEDMM COC(=O)c1c(F)ccc(F)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201319531 1005199146 /nfs/dbraw/zinc/19/91/46/1005199146.db2.gz BFEASNVAFKYLAB-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCCC2=O)cc1C#N ZINC001201320450 1005199321 /nfs/dbraw/zinc/19/93/21/1005199321.db2.gz ZPOHJXGEUUURSB-UHFFFAOYSA-N -1 1 369.446 2.790 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2C)cc1C#N ZINC001201320421 1005199403 /nfs/dbraw/zinc/19/94/03/1005199403.db2.gz ZGUIAQIRIOZAHZ-UHFFFAOYSA-N -1 1 357.435 2.678 20 30 FFEDMM COc1ccc(N2CCCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000776339718 1005370777 /nfs/dbraw/zinc/37/07/77/1005370777.db2.gz UWHCXJKYHDKRLG-UHFFFAOYSA-N -1 1 351.406 2.625 20 30 FFEDMM COC(=O)c1cccc(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)c1C ZINC000853397354 1006383141 /nfs/dbraw/zinc/38/31/41/1006383141.db2.gz CGQNMUZOIWCWFA-UHFFFAOYSA-N -1 1 350.378 2.906 20 30 FFEDMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C4CC4)c(C#N)c3)cc2CC1=O ZINC000882792721 1006508132 /nfs/dbraw/zinc/50/81/32/1006508132.db2.gz FFFPNGCHKQNZJG-UHFFFAOYSA-N -1 1 367.430 2.755 20 30 FFEDMM COc1cc(OC)nc(C(=O)[N-]c2c(C#N)cccc2C(F)(F)F)n1 ZINC001189226871 1006960204 /nfs/dbraw/zinc/96/02/04/1006960204.db2.gz YXBSQYFZGQKDKI-UHFFFAOYSA-N -1 1 352.272 2.637 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2ccc(CC#N)cc2)cccc1N1CCOC1=O ZINC001116196356 1032185568 /nfs/dbraw/zinc/18/55/68/1032185568.db2.gz ZCNXNUKCMSMUCJ-UHFFFAOYSA-N -1 1 371.418 2.819 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(N2CCCC2)cc1 ZINC001116201268 1032188897 /nfs/dbraw/zinc/18/88/97/1032188897.db2.gz NRDDKRQICRTUKW-UHFFFAOYSA-N -1 1 374.422 2.507 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000775296549 1007235111 /nfs/dbraw/zinc/23/51/11/1007235111.db2.gz YOFFMQJCKKIXHG-UHFFFAOYSA-N -1 1 371.414 2.686 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)ccc1C#N ZINC001189830606 1007298306 /nfs/dbraw/zinc/29/83/06/1007298306.db2.gz BLRJZFNKTBNKSF-UHFFFAOYSA-N -1 1 366.345 2.565 20 30 FFEDMM N#Cc1c2c(sc1NC(=O)c1cnc(-c3ccccn3)[n-]c1=O)CCC2 ZINC001190618028 1007705705 /nfs/dbraw/zinc/70/57/05/1007705705.db2.gz MLMIWNMPKCIDFC-UHFFFAOYSA-N -1 1 363.402 2.918 20 30 FFEDMM CC(C)(O)C#Cc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001191159969 1007908654 /nfs/dbraw/zinc/90/86/54/1007908654.db2.gz HLSJXFOEJRUUPT-UHFFFAOYSA-N -1 1 361.401 2.953 20 30 FFEDMM N#C[C@H]1CC[C@@H](NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000819634053 1008201738 /nfs/dbraw/zinc/20/17/38/1008201738.db2.gz WUFZVRZPIPPAFW-VHSXEESVSA-N -1 1 371.315 2.925 20 30 FFEDMM C[C@@H]1CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C[C@H](C)N1CC#N ZINC000823760298 1009217202 /nfs/dbraw/zinc/21/72/02/1009217202.db2.gz FUSKVXKHIVMLPT-OKILXGFUSA-N -1 1 367.405 2.523 20 30 FFEDMM CC(C)(C)OC(=O)NC1(C(=O)N([O-])C(=N)c2ccccc2N)CCCC1 ZINC001179679268 1009416840 /nfs/dbraw/zinc/41/68/40/1009416840.db2.gz RUZCTDFRUZGZCM-UHFFFAOYSA-N -1 1 362.430 2.649 20 30 FFEDMM C=C(C)CN(Cc1ccccc1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000869213666 1011673965 /nfs/dbraw/zinc/67/39/65/1011673965.db2.gz JPZVTKGQZBZYNL-UHFFFAOYSA-N -1 1 368.437 2.543 20 30 FFEDMM CN1CCN(c2cccc(-c3noc(-c4ccc(C#N)cc4[O-])n3)c2)CC1 ZINC001217038900 1032594629 /nfs/dbraw/zinc/59/46/29/1032594629.db2.gz KSCBMFBUEGPYOZ-UHFFFAOYSA-N -1 1 361.405 2.733 20 30 FFEDMM CCCC[C@@H](CC(C)C)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001173258400 1012375789 /nfs/dbraw/zinc/37/57/89/1012375789.db2.gz TYMCQOULYITBGW-UONOGXRCSA-N -1 1 356.469 2.607 20 30 FFEDMM CCCC[C@@H](CC(C)C)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001173258400 1012375810 /nfs/dbraw/zinc/37/58/10/1012375810.db2.gz TYMCQOULYITBGW-UONOGXRCSA-N -1 1 356.469 2.607 20 30 FFEDMM CCCC[C@@H](CC(C)C)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001173258398 1012376733 /nfs/dbraw/zinc/37/67/33/1012376733.db2.gz TYMCQOULYITBGW-KBPBESRZSA-N -1 1 356.469 2.607 20 30 FFEDMM CCCC[C@@H](CC(C)C)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001173258398 1012376750 /nfs/dbraw/zinc/37/67/50/1012376750.db2.gz TYMCQOULYITBGW-KBPBESRZSA-N -1 1 356.469 2.607 20 30 FFEDMM N#Cc1cccc(O[N-]C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000870689937 1012527525 /nfs/dbraw/zinc/52/75/25/1012527525.db2.gz DWKRKSXOIBOZPT-UHFFFAOYSA-N -1 1 364.380 2.896 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000777637255 1018635649 /nfs/dbraw/zinc/63/56/49/1018635649.db2.gz HDKXJCJUKMBPGH-UHFFFAOYSA-N -1 1 374.422 2.969 20 30 FFEDMM O=C([O-])c1cc(-c2ccc(C=NNCCN3CCCCC3)o2)ccc1O ZINC000901169549 1018785885 /nfs/dbraw/zinc/78/58/85/1018785885.db2.gz GBRSJCQQRKQZST-UHFFFAOYSA-N -1 1 357.410 2.760 20 30 FFEDMM C=CCN1CC[C@@H](OC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1=O ZINC000801412816 1018956328 /nfs/dbraw/zinc/95/63/28/1018956328.db2.gz UASYRTGUTOKQAA-QGZVFWFLSA-N -1 1 369.421 2.645 20 30 FFEDMM CN1c2ccc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)cc2CCC1=O ZINC000901622600 1019276776 /nfs/dbraw/zinc/27/67/76/1019276776.db2.gz HUQPJTAYSOMCDI-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM C[C@@H](C#N)OCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000801810098 1019408489 /nfs/dbraw/zinc/40/84/89/1019408489.db2.gz CTMUGAJRILRBIJ-AWEZNQCLSA-N -1 1 374.418 2.573 20 30 FFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000800583634 1020410049 /nfs/dbraw/zinc/41/00/49/1020410049.db2.gz UQIDYGLPYKXODV-UHFFFAOYSA-N -1 1 365.437 2.707 20 30 FFEDMM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cccc([O-])c1Cl ZINC001276390501 1020685557 /nfs/dbraw/zinc/68/55/57/1020685557.db2.gz MBJXBYPIEHRHLO-ZIAGYGMSSA-N -1 1 361.829 2.555 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2ncccc2[O-])C1 ZINC001009544610 1021399294 /nfs/dbraw/zinc/39/92/94/1021399294.db2.gz QFTZPWZDIAKWLY-JHVJFLLYSA-N -1 1 371.481 2.748 20 30 FFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H]1CCc2cc(C#N)ccc21 ZINC001116832534 1021443498 /nfs/dbraw/zinc/44/34/98/1021443498.db2.gz XAVJQQRNPRVBPY-HNNXBMFYSA-N -1 1 364.373 2.811 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1NN=C1CCN(C(C)=O)Cc2ccccc21 ZINC000778544925 1022089444 /nfs/dbraw/zinc/08/94/44/1022089444.db2.gz MKKRQZJPPZAVFJ-UHFFFAOYSA-N -1 1 367.405 2.962 20 30 FFEDMM C=CCOC[C@H]1CN(Cc2c([O-])cccc2F)Cc2nnn(CC3CC3)c21 ZINC001137834415 1033168856 /nfs/dbraw/zinc/16/88/56/1033168856.db2.gz FTWUXRYIFYMSQJ-OAHLLOKOSA-N -1 1 372.444 2.835 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC001121659184 1023908906 /nfs/dbraw/zinc/90/89/06/1023908906.db2.gz DEWULWJXJVGWRH-ZFWWWQNUSA-N -1 1 350.426 2.942 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1(C)C ZINC000837146341 1025612923 /nfs/dbraw/zinc/61/29/23/1025612923.db2.gz CLYJQQZZGUQRMQ-OAHLLOKOSA-N -1 1 359.426 2.782 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1(C)C ZINC000837148633 1025616803 /nfs/dbraw/zinc/61/68/03/1025616803.db2.gz PJQBSLQDHCABOX-HNNXBMFYSA-N -1 1 359.426 2.782 20 30 FFEDMM COc1ccccc1CCN(C)C(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154556749 1028350887 /nfs/dbraw/zinc/35/08/87/1028350887.db2.gz QSJQZEGYBWOOQK-UHFFFAOYSA-N -1 1 361.401 2.723 20 30 FFEDMM C=C[C@H]1C[C@@]1(NC(=O)c1cc2cc(OC)ccc2cc1[O-])C(=O)OCC ZINC001154757915 1028442554 /nfs/dbraw/zinc/44/25/54/1028442554.db2.gz ZAIWFVNZEGCMGD-XOBRGWDASA-N -1 1 355.390 2.792 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NC[C@@H]2COc3cnccc32)n1 ZINC001162572061 1028583479 /nfs/dbraw/zinc/58/34/79/1028583479.db2.gz OYYKYPKSIAYQPR-ZUNZZSTMSA-N -1 1 351.819 2.643 20 30 FFEDMM N#CCc1cnc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c(Cl)c1 ZINC001157165302 1029488360 /nfs/dbraw/zinc/48/83/60/1029488360.db2.gz JZLOKFXHJWLSCH-UHFFFAOYSA-N -1 1 363.741 2.886 20 30 FFEDMM CC(C)(C)OC(=O)N1CCOC[C@@H](O/C(=N\[O-])c2cc(F)ccc2F)C1 ZINC001223889147 1033627659 /nfs/dbraw/zinc/62/76/59/1033627659.db2.gz YRZGJPUSKCBFMN-BMOWLENRSA-N -1 1 372.368 2.753 20 30 FFEDMM N#Cc1ccccc1N1CCN(Cc2cn(CC(=O)[O-])c3ccccc23)CC1 ZINC001138187601 1033931369 /nfs/dbraw/zinc/93/13/69/1033931369.db2.gz RSVYJATTXFRNME-UHFFFAOYSA-N -1 1 374.444 2.920 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC2(CC(Oc3nccc(/C=N/[O-])n3)C2)CC1 ZINC001226254412 1034594924 /nfs/dbraw/zinc/59/49/24/1034594924.db2.gz XOLZYPRTILTQDS-UDWIEESQSA-N -1 1 362.430 2.843 20 30 FFEDMM CCC1=C(Oc2nc(=O)[n-]c3c2CN(Cc2ccccc2)C3)C(=O)[C@H](C)O1 ZINC001226618422 1034759603 /nfs/dbraw/zinc/75/96/03/1034759603.db2.gz BEYBSAUGNVULFF-LBPRGKRZSA-N -1 1 367.405 2.686 20 30 FFEDMM CC[C@H](C#CC(=O)OC)Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227310563 1035502956 /nfs/dbraw/zinc/50/29/56/1035502956.db2.gz VQBJHMAMJOFKEO-LLVKDONJSA-N -1 1 368.341 2.691 20 30 FFEDMM C#CC(C#C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(OC)c(O)c1)O2 ZINC001227561340 1035610976 /nfs/dbraw/zinc/61/09/76/1035610976.db2.gz OMPJQGASIJLGOR-SFHVURJKSA-N -1 1 364.353 2.827 20 30 FFEDMM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c([O-])ccc(F)c1F ZINC001233332933 1036537469 /nfs/dbraw/zinc/53/74/69/1036537469.db2.gz CSEWOIOPHJLDRL-HNNXBMFYSA-N -1 1 364.396 2.584 20 30 FFEDMM O=C1OC[C@@H](COc2cc(/C=C3\Oc4cc([O-])ccc4C3=O)ccc2O)O1 ZINC001229209568 1036553814 /nfs/dbraw/zinc/55/38/14/1036553814.db2.gz WNOXHYWLZKLXLO-XVRVVCMKSA-N -1 1 370.313 2.628 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c([O-])c(F)c2)[C@H](C#N)C1 ZINC001140987995 1036625377 /nfs/dbraw/zinc/62/53/77/1036625377.db2.gz JMUNFLJRCRITDY-GFCCVEGCSA-N -1 1 353.369 2.615 20 30 FFEDMM C#C[C@@H](CC(C)C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792723 1036899057 /nfs/dbraw/zinc/89/90/57/1036899057.db2.gz SJXBWBUNEHOJAG-LBPRGKRZSA-N -1 1 372.373 2.872 20 30 FFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000836874268 1036916760 /nfs/dbraw/zinc/91/67/60/1036916760.db2.gz MMDJTAOQCRYJJY-UHFFFAOYSA-N -1 1 359.426 2.783 20 30 FFEDMM C=C1O[C@H](C)C(=O)C1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124866 1036928386 /nfs/dbraw/zinc/92/83/86/1036928386.db2.gz LYAXKROGRKECJP-SSDOTTSWSA-N -1 1 370.313 2.661 20 30 FFEDMM CC[C@@H](C#CC(=O)OC)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234744656 1037162642 /nfs/dbraw/zinc/16/26/42/1037162642.db2.gz WHJWNSVYGASUAW-LBPRGKRZSA-N -1 1 368.341 2.691 20 30 FFEDMM C=C(C)CN1C[C@@]2(CC1=O)COCCN(Cc1cccc([O-])c1Cl)C2 ZINC001277919492 1037327311 /nfs/dbraw/zinc/32/73/11/1037327311.db2.gz XCVOGZMOLFSZBB-IBGZPJMESA-N -1 1 364.873 2.673 20 30 FFEDMM CC(C)(C)C1CCC([N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-])CC1 ZINC001255499617 1037977109 /nfs/dbraw/zinc/97/71/09/1037977109.db2.gz HLSHRDZALQFOHD-RUXDESIVSA-N -1 1 368.480 2.607 20 30 FFEDMM CC(C)(C)C1CCC([N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-])CC1 ZINC001255499617 1037977119 /nfs/dbraw/zinc/97/71/19/1037977119.db2.gz HLSHRDZALQFOHD-RUXDESIVSA-N -1 1 368.480 2.607 20 30 FFEDMM N#Cc1ccc([O-])c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)c1 ZINC001278895529 1038245209 /nfs/dbraw/zinc/24/52/09/1038245209.db2.gz TWRRGAOKVXPBLU-HDICACEKSA-N -1 1 367.474 2.743 20 30 FFEDMM C=CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)C1=O ZINC001257528040 1038854686 /nfs/dbraw/zinc/85/46/86/1038854686.db2.gz JJTZVZCNKAAMEC-VIFPVBQESA-N -1 1 369.295 2.510 20 30 FFEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(C#N)c(C#N)nc1Cl ZINC001257561632 1038864595 /nfs/dbraw/zinc/86/45/95/1038864595.db2.gz DZGITFJWVJRLFM-UHFFFAOYSA-N -1 1 368.205 2.636 20 30 FFEDMM C=C[C@H]1C[C@@]1([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC ZINC001257780382 1038972767 /nfs/dbraw/zinc/97/27/67/1038972767.db2.gz MSZNFLDMUUVXJA-XPTSAGLGSA-N -1 1 364.250 2.780 20 30 FFEDMM CC1(C)NC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC001258135819 1039213824 /nfs/dbraw/zinc/21/38/24/1039213824.db2.gz FVCRVHHZLSXLHV-UHFFFAOYSA-N -1 1 356.407 2.729 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ncc(C#N)cc2Br)cc1 ZINC001252092588 1039430613 /nfs/dbraw/zinc/43/06/13/1039430613.db2.gz IHXBCHDAGCKYFK-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(C#N)cc1C(F)(F)F ZINC001258805753 1039523361 /nfs/dbraw/zinc/52/33/61/1039523361.db2.gz ZLTGUHVAIDUXAW-UHFFFAOYSA-N -1 1 359.329 2.660 20 30 FFEDMM N#Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259082276 1039696958 /nfs/dbraw/zinc/69/69/58/1039696958.db2.gz SXRPJKOIFMKIRS-UHFFFAOYSA-N -1 1 370.352 2.723 20 30 FFEDMM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259471137 1040034298 /nfs/dbraw/zinc/03/42/98/1040034298.db2.gz CXQNPGGUTLDXQT-LBPRGKRZSA-N -1 1 363.838 2.901 20 30 FFEDMM N#CC1(c2cccc(Nc3cc(S(=O)(=O)C(N)=O)ccc3[O-])c2)CC1 ZINC001213329384 1040452838 /nfs/dbraw/zinc/45/28/38/1040452838.db2.gz ILSOJAAKCZZNSE-UHFFFAOYSA-N -1 1 357.391 2.957 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001213383707 1040496562 /nfs/dbraw/zinc/49/65/62/1040496562.db2.gz YVLLZCWTYBGFTL-ZDUSSCGKSA-N -1 1 366.266 2.834 20 30 FFEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(F)c(C#N)cc3C)ccc21 ZINC001260798003 1040804695 /nfs/dbraw/zinc/80/46/95/1040804695.db2.gz JHFJDVISCFOPIK-UHFFFAOYSA-N -1 1 373.409 2.716 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(C2CCOCC2)CC1 ZINC001263322156 1042240218 /nfs/dbraw/zinc/24/02/18/1042240218.db2.gz FYXBMVLXISECOG-UHFFFAOYSA-N -1 1 372.473 2.593 20 30 FFEDMM O=S1(=O)[N-]C(=Nc2cnn(Cc3ccc(Cl)cc3)c2)c2ccccc21 ZINC001318853832 1044909090 /nfs/dbraw/zinc/90/90/90/1044909090.db2.gz PQAPPKXAPPGDBM-UHFFFAOYSA-N -1 1 372.837 2.955 20 30 FFEDMM Cc1ccc(C#N)cc1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001296143955 1050029661 /nfs/dbraw/zinc/02/96/61/1050029661.db2.gz YDVWLWLACXTNGR-OAHLLOKOSA-N -1 1 370.775 2.692 20 30 FFEDMM O=C(C#Cc1ccc2c(c1)OCO2)Nc1cccc([O-])c1Br ZINC001298219540 1050398187 /nfs/dbraw/zinc/39/81/87/1050398187.db2.gz GDDUTRPNEWONCP-UHFFFAOYSA-N -1 1 360.163 2.874 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001341869151 1050477691 /nfs/dbraw/zinc/47/76/91/1050477691.db2.gz XIABTONAVBBLPC-MRXNPFEDSA-N -1 1 365.869 2.688 20 30 FFEDMM N#C[C@@H]1CCCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2ccccc2)C1 ZINC001342189998 1050782233 /nfs/dbraw/zinc/78/22/33/1050782233.db2.gz PGRYIXSLZRKDBF-ZDUSSCGKSA-N -1 1 368.832 2.505 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCCC[C@H]1CC1CCC1 ZINC001342700604 1051315014 /nfs/dbraw/zinc/31/50/14/1051315014.db2.gz URJLVWALKVKMKG-HNNXBMFYSA-N -1 1 356.478 2.507 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCCC[C@H]1CC1CCC1 ZINC001342700604 1051315023 /nfs/dbraw/zinc/31/50/23/1051315023.db2.gz URJLVWALKVKMKG-HNNXBMFYSA-N -1 1 356.478 2.507 20 30 FFEDMM N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C2 ZINC001306887857 1052211912 /nfs/dbraw/zinc/21/19/12/1052211912.db2.gz KBFHTOFULAVPKD-CQSZACIVSA-N -1 1 357.207 2.924 20 30 FFEDMM C=CCCCCCN(C)c1nnc(-c2c[n-][nH]c2=O)n1C[C@H]1CCOC1 ZINC001345434999 1052445111 /nfs/dbraw/zinc/44/51/11/1052445111.db2.gz PCXRWYBTQGUTSC-CQSZACIVSA-N -1 1 360.462 2.593 20 30 FFEDMM COCCOc1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001343989913 1052531753 /nfs/dbraw/zinc/53/17/53/1052531753.db2.gz GPWPSYKSRSBNPQ-MRXNPFEDSA-N -1 1 362.389 2.727 20 30 FFEDMM C=CCOc1c(Br)cc(CNC[C@H](F)C(=O)[O-])cc1OC ZINC001334845295 1053112716 /nfs/dbraw/zinc/11/27/16/1053112716.db2.gz TUDFZTQDVKETMN-NSHDSACASA-N -1 1 362.195 2.535 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2cccc(C)c2)C1 ZINC001351817987 1055016610 /nfs/dbraw/zinc/01/66/10/1055016610.db2.gz AQLISQLQPLSUKV-HNNXBMFYSA-N -1 1 350.426 2.862 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(OCCC(C)C)CC1 ZINC001351818056 1055016821 /nfs/dbraw/zinc/01/68/21/1055016821.db2.gz BQIZLZFTOGTLPC-UHFFFAOYSA-N -1 1 360.462 2.591 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC=C(COC)CC1 ZINC001356063069 1055254997 /nfs/dbraw/zinc/25/49/97/1055254997.db2.gz BMANYIGFFAVBRW-UHFFFAOYSA-N -1 1 361.833 2.668 20 30 FFEDMM C=C[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001338808282 1055835119 /nfs/dbraw/zinc/83/51/19/1055835119.db2.gz FDRKLXJBTLUCHG-SSDOTTSWSA-N -1 1 372.643 2.721 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCO[C@](C)(CC)C1 ZINC001338861951 1055879863 /nfs/dbraw/zinc/87/98/63/1055879863.db2.gz AZZLIXAVNRGOQA-LJQANCHMSA-N -1 1 370.457 2.509 20 30 FFEDMM C=CC[C@@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)C(=O)[O-] ZINC001350760622 1055927494 /nfs/dbraw/zinc/92/74/94/1055927494.db2.gz ZDPZCKOVXMORPF-CVEARBPZSA-N -1 1 365.861 2.805 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@H](COC)C1 ZINC001338982800 1055986935 /nfs/dbraw/zinc/98/69/35/1055986935.db2.gz WHCGHEHYLPPAKS-GFCCVEGCSA-N -1 1 363.849 2.748 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001339689109 1056711228 /nfs/dbraw/zinc/71/12/28/1056711228.db2.gz APIZLHZEEATNBQ-UHFFFAOYSA-N -1 1 356.352 2.729 20 30 FFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1nnc2ccc(Cl)cn21 ZINC001453815354 1059414468 /nfs/dbraw/zinc/41/44/68/1059414468.db2.gz PARSMULDPHYSAS-UHFFFAOYSA-N -1 1 361.739 2.663 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)OCC ZINC001475580261 1061147474 /nfs/dbraw/zinc/14/74/74/1061147474.db2.gz WRYJEGLZXRSHLN-NSHDSACASA-N -1 1 370.229 2.832 20 30 FFEDMM C#CC[C@@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2Cc2ccccc2)C1 ZINC001521864871 1061178229 /nfs/dbraw/zinc/17/82/29/1061178229.db2.gz QKTPDGMECRIGFM-OAHLLOKOSA-N -1 1 362.437 2.662 20 30 FFEDMM C=CCNC(=O)c1ccc(NC(=O)c2cc(NC(=O)C=C)ccc2[O-])cc1 ZINC001464353207 1062563468 /nfs/dbraw/zinc/56/34/68/1062563468.db2.gz DLJQUTVQOFEDKD-UHFFFAOYSA-N -1 1 365.389 2.685 20 30 FFEDMM N#Cc1cccc(COc2cccc(NC(=O)CCCc3nn[n-]n3)c2)c1 ZINC001441419868 1063436613 /nfs/dbraw/zinc/43/66/13/1063436613.db2.gz IKCFISIIXATVKR-UHFFFAOYSA-N -1 1 362.393 2.612 20 30 FFEDMM CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001472622316 1065114298 /nfs/dbraw/zinc/11/42/98/1065114298.db2.gz ITMZIMPRFWRAMY-GOSISDBHSA-N -1 1 368.405 2.570 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)c1cccc(C#N)c1 ZINC001583259525 1079185410 /nfs/dbraw/zinc/18/54/10/1079185410.db2.gz VZIMJJGOZMKPFB-UHFFFAOYSA-N -1 1 373.416 2.608 20 30 FFEDMM C#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC001561586492 1076395222 /nfs/dbraw/zinc/39/52/22/1076395222.db2.gz ULRFGPINUHKTOL-UHFFFAOYSA-N -1 1 350.783 2.708 20 30 FFEDMM COc1cncc(S(=O)(=O)[N-][C@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC001561861156 1076435349 /nfs/dbraw/zinc/43/53/49/1076435349.db2.gz MPZJYRMOFNIWSI-CQSZACIVSA-N -1 1 371.340 2.544 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001573736327 1077777744 /nfs/dbraw/zinc/77/77/44/1077777744.db2.gz SHDFTLRXXHXFRS-CKEIUWERSA-N -1 1 361.417 2.503 20 30 FFEDMM C#CCN(Cc1ccccc1)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001588351722 1079991917 /nfs/dbraw/zinc/99/19/17/1079991917.db2.gz GXYDSHXDLWUPKZ-UHFFFAOYSA-N -1 1 356.389 2.624 20 30 FFEDMM C#CCN(C(=O)c1cc(-c2nnn[n-]2)oc1C)[C@@H]1CCCc2ccccc21 ZINC001588348926 1079992118 /nfs/dbraw/zinc/99/21/18/1079992118.db2.gz UDOKNHISWXCYCQ-QGZVFWFLSA-N -1 1 361.405 2.921 20 30 FFEDMM C#CCN(C(=O)c1cc(-c2nn[n-]n2)oc1C)[C@@H]1CCCc2ccccc21 ZINC001588348926 1079992121 /nfs/dbraw/zinc/99/21/21/1079992121.db2.gz UDOKNHISWXCYCQ-QGZVFWFLSA-N -1 1 361.405 2.921 20 30 FFEDMM C#CCOc1cccc([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001588361868 1079994451 /nfs/dbraw/zinc/99/44/51/1079994451.db2.gz LIGKAYRKUDBXGM-NSHDSACASA-N -1 1 352.350 2.698 20 30 FFEDMM C#CCOc1cccc([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001588361868 1079994463 /nfs/dbraw/zinc/99/44/63/1079994463.db2.gz LIGKAYRKUDBXGM-NSHDSACASA-N -1 1 352.350 2.698 20 30 FFEDMM C=C(C)CCC(=O)NCC[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588417926 1080021471 /nfs/dbraw/zinc/02/14/71/1080021471.db2.gz KPYHIRFDTZBBDT-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=CC[C@H]1CCCN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2CC)C1 ZINC001588560457 1080098588 /nfs/dbraw/zinc/09/85/88/1080098588.db2.gz QVZJBYBXUCNJEP-LBPRGKRZSA-N -1 1 354.418 2.531 20 30 FFEDMM C=CC[C@H]1CCCN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2CC)C1 ZINC001588560457 1080098595 /nfs/dbraw/zinc/09/85/95/1080098595.db2.gz QVZJBYBXUCNJEP-LBPRGKRZSA-N -1 1 354.418 2.531 20 30 FFEDMM C=CCCCC(=O)NCC[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588590362 1080113532 /nfs/dbraw/zinc/11/35/32/1080113532.db2.gz JMBWBOXINFPKPF-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCN(CC1CCCCC1)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001588628415 1080127666 /nfs/dbraw/zinc/12/76/66/1080127666.db2.gz XUZFZZXZSZIGRR-UHFFFAOYSA-N -1 1 368.485 2.543 20 30 FFEDMM CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)c2csc(C(=O)[O-])c2)o1 ZINC001588781113 1080193874 /nfs/dbraw/zinc/19/38/74/1080193874.db2.gz FMYXFNPIDYBOAQ-UHFFFAOYSA-N -1 1 361.387 2.574 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001588934105 1080271099 /nfs/dbraw/zinc/27/10/99/1080271099.db2.gz DVQWIRYCBBUNJV-JTQLQIEISA-N -1 1 354.395 2.964 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001588934105 1080271107 /nfs/dbraw/zinc/27/11/07/1080271107.db2.gz DVQWIRYCBBUNJV-JTQLQIEISA-N -1 1 354.395 2.964 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)ccc2O)o1 ZINC001589238353 1080440596 /nfs/dbraw/zinc/44/05/96/1080440596.db2.gz UOTAPXHBWIAEMY-UHFFFAOYSA-N -1 1 361.793 2.957 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc3c2OCCCO3)o1 ZINC001589774119 1080730426 /nfs/dbraw/zinc/73/04/26/1080730426.db2.gz SIQWRKCGZFFXJO-UHFFFAOYSA-N -1 1 369.385 2.585 20 30 FFEDMM C[C@@H](Cc1ccccc1C(F)(F)F)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589899745 1080848070 /nfs/dbraw/zinc/84/80/70/1080848070.db2.gz PMIVCYYVGXFPFB-VIFPVBQESA-N -1 1 374.330 2.590 20 30 FFEDMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001589985850 1080923412 /nfs/dbraw/zinc/92/34/12/1080923412.db2.gz SLRVZVOYMVOHQX-ZDUSSCGKSA-N -1 1 368.404 2.790 20 30 FFEDMM Cc1nc(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[n-]c(=O)c1C ZINC000331602133 258192617 /nfs/dbraw/zinc/19/26/17/258192617.db2.gz UWUCRSATWMORCU-HNNXBMFYSA-N -1 1 354.435 2.958 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)ccc1Cl ZINC000330772524 258170411 /nfs/dbraw/zinc/17/04/11/258170411.db2.gz PQGALHHTIDONPS-UHFFFAOYSA-N -1 1 368.764 2.601 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366703552 512149101 /nfs/dbraw/zinc/14/91/01/512149101.db2.gz PYHCKFZSXZBTAX-PXNSSMCTSA-N -1 1 372.465 2.978 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1 ZINC000373452683 512338526 /nfs/dbraw/zinc/33/85/26/512338526.db2.gz KQJZPYLKFBTZFJ-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM CC(C)n1c(C2CCN(C(=O)c3cc(C#N)cn3C)CC2)n[n-]c1=S ZINC000081753182 508208732 /nfs/dbraw/zinc/20/87/32/508208732.db2.gz RGUQCESTVHSROX-UHFFFAOYSA-N -1 1 358.471 2.752 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1 ZINC000076935638 508263910 /nfs/dbraw/zinc/26/39/10/508263910.db2.gz QVRRGLKNUBMULW-UHFFFAOYSA-N -1 1 355.419 2.794 20 30 FFEDMM Cn1c(Cc2csc(NC(=O)C3(C#N)CCCCC3)n2)n[n-]c1=S ZINC000103187747 508301307 /nfs/dbraw/zinc/30/13/07/508301307.db2.gz JWRJDABQXBZMEE-UHFFFAOYSA-N -1 1 362.484 2.938 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000106007306 508387889 /nfs/dbraw/zinc/38/78/89/508387889.db2.gz SZHFGUKCGUWPAX-CYBMUJFWSA-N -1 1 372.446 2.727 20 30 FFEDMM CCN(CCC#N)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000133615641 508424867 /nfs/dbraw/zinc/42/48/67/508424867.db2.gz XFQDWERCBFIHSN-GOSISDBHSA-N -1 1 365.433 2.912 20 30 FFEDMM COc1cccc(C2([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)c1 ZINC000127663737 508483257 /nfs/dbraw/zinc/48/32/57/508483257.db2.gz LYULJBXVAUIRRV-UHFFFAOYSA-N -1 1 364.373 2.813 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)c1 ZINC000134447708 508533742 /nfs/dbraw/zinc/53/37/42/508533742.db2.gz UXMVZNSTAWJENF-UHFFFAOYSA-N -1 1 354.431 2.768 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000158248506 508677752 /nfs/dbraw/zinc/67/77/52/508677752.db2.gz JSNXBWAODAXBPB-KRWDZBQOSA-N -1 1 358.419 2.835 20 30 FFEDMM N#C[C@H](C(=O)c1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123439326 508687594 /nfs/dbraw/zinc/68/75/94/508687594.db2.gz ZIOXKHPMGVMATA-GFCCVEGCSA-N -1 1 350.403 2.748 20 30 FFEDMM Cc1cccc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1C#N ZINC000137472222 508757333 /nfs/dbraw/zinc/75/73/33/508757333.db2.gz NPCKCFZFIOWTHH-UHFFFAOYSA-N -1 1 355.375 2.847 20 30 FFEDMM C=C(C)COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC ZINC000140186204 508800747 /nfs/dbraw/zinc/80/07/47/508800747.db2.gz XUPBWPRXGIKYJM-XZXOBPBMSA-N -1 1 356.374 2.878 20 30 FFEDMM COc1cccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000155447208 509003924 /nfs/dbraw/zinc/00/39/24/509003924.db2.gz BIMQPYGIOKPXMD-ZDUSSCGKSA-N -1 1 368.418 2.856 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)ccc1Cl ZINC000163208364 509350773 /nfs/dbraw/zinc/35/07/73/509350773.db2.gz QQXYNPIPIAEBQK-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM CC(C)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(=O)Nc1nccs1 ZINC000189088302 509405530 /nfs/dbraw/zinc/40/55/30/509405530.db2.gz ARRMADFLBMRLJQ-CYBMUJFWSA-N -1 1 358.423 2.504 20 30 FFEDMM CC(C)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(=O)Nc1nccs1 ZINC000189088284 509405635 /nfs/dbraw/zinc/40/56/35/509405635.db2.gz ARRMADFLBMRLJQ-ZDUSSCGKSA-N -1 1 358.423 2.504 20 30 FFEDMM C=C(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1ccc(F)c(F)c1 ZINC000186051982 509501331 /nfs/dbraw/zinc/50/13/31/509501331.db2.gz LNFNDPJBWBZLKA-HNNXBMFYSA-N -1 1 370.377 2.513 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000180053570 509727805 /nfs/dbraw/zinc/72/78/05/509727805.db2.gz KRAHNFGKJLNDLT-SECBINFHSA-N -1 1 368.846 2.932 20 30 FFEDMM N#Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c[nH]1 ZINC000180421320 509919551 /nfs/dbraw/zinc/91/95/51/509919551.db2.gz BVOCDNDLMHAYDV-UHFFFAOYSA-N -1 1 366.402 2.939 20 30 FFEDMM C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)N1CCC(C)CC1 ZINC000184220896 510200219 /nfs/dbraw/zinc/20/02/19/510200219.db2.gz WKTBPRPILUSSKI-ZDUSSCGKSA-N -1 1 355.891 2.610 20 30 FFEDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1[N+](=O)[O-] ZINC000187422576 510254657 /nfs/dbraw/zinc/25/46/57/510254657.db2.gz ZXWNASYSHFMCDS-UHFFFAOYSA-N -1 1 369.305 2.554 20 30 FFEDMM N#Cc1ccc(C(=O)NCCNc2ncc(Cl)cc2Cl)cc1[O-] ZINC000190660563 510268199 /nfs/dbraw/zinc/26/81/99/510268199.db2.gz MLSUUWCMVRZUKP-UHFFFAOYSA-N -1 1 351.193 2.808 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3C#N)CCCC2)no1 ZINC000269676817 510508925 /nfs/dbraw/zinc/50/89/25/510508925.db2.gz QVXRDBFHOUCACG-UHFFFAOYSA-N -1 1 366.830 2.651 20 30 FFEDMM CCc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000188114263 510601047 /nfs/dbraw/zinc/60/10/47/510601047.db2.gz HBDURNTVUDKDGI-UHFFFAOYSA-N -1 1 370.478 2.988 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1 ZINC000172589933 510809395 /nfs/dbraw/zinc/80/93/95/510809395.db2.gz CETYCVFSSBQXDO-UHFFFAOYSA-N -1 1 369.446 2.904 20 30 FFEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc3[nH]cnc32)C1=O ZINC000280669768 511557642 /nfs/dbraw/zinc/55/76/42/511557642.db2.gz CPUALRXKXYAPGK-IBGZPJMESA-N -1 1 371.441 2.879 20 30 FFEDMM C[C@@H](C#N)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000302038812 511704055 /nfs/dbraw/zinc/70/40/55/511704055.db2.gz GXOVWGCUDYNYAH-LBPRGKRZSA-N -1 1 360.395 2.967 20 30 FFEDMM C=CC[C@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000302147464 511706187 /nfs/dbraw/zinc/70/61/87/511706187.db2.gz RWKDZHJGSFVGBF-GFCCVEGCSA-N -1 1 369.393 2.510 20 30 FFEDMM CCn1cc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1C(=O)[O-] ZINC000319939705 511811131 /nfs/dbraw/zinc/81/11/31/511811131.db2.gz BGCNMBWMDDPZPD-UHFFFAOYSA-N -1 1 353.787 2.532 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000371785015 512573553 /nfs/dbraw/zinc/57/35/53/512573553.db2.gz HOBDHBRUHUIWNB-FUHWJXTLSA-N -1 1 358.401 2.835 20 30 FFEDMM Cc1ccc2c([O-])c(C(=O)N3CCC(C#N)(c4ccccn4)CC3)cnc2n1 ZINC000374467279 512846659 /nfs/dbraw/zinc/84/66/59/512846659.db2.gz PRKXSIMRRCPHBO-UHFFFAOYSA-N -1 1 373.416 2.736 20 30 FFEDMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(C#N)(c3ccccn3)CC1)c2=O ZINC000374467279 512846663 /nfs/dbraw/zinc/84/66/63/512846663.db2.gz PRKXSIMRRCPHBO-UHFFFAOYSA-N -1 1 373.416 2.736 20 30 FFEDMM CC[C@](CNC(=O)c1ccc(C#N)c([O-])c1)(C(=O)OC)c1ccccc1 ZINC000412966519 513371564 /nfs/dbraw/zinc/37/15/64/513371564.db2.gz DPUQBCGBBXWQBI-HXUWFJFHSA-N -1 1 352.390 2.515 20 30 FFEDMM N#CC(CCc1ccccc1)=C([O-])N=c1ccn(CCC(F)(F)F)[nH]1 ZINC000425104825 513412733 /nfs/dbraw/zinc/41/27/33/513412733.db2.gz WIEPOMOLYMZQFJ-AWEZNQCLSA-N -1 1 350.344 2.968 20 30 FFEDMM C=C(C)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000435438835 513587676 /nfs/dbraw/zinc/58/76/76/513587676.db2.gz RTXPZVTTXUXMTF-GFCCVEGCSA-N -1 1 352.239 2.703 20 30 FFEDMM C=CCC1(C(=O)N2CCC(c3nc(C(=O)OCC)n[n-]3)CC2)CCCC1 ZINC000451221305 513604839 /nfs/dbraw/zinc/60/48/39/513604839.db2.gz TUFDYRQDUHGFIK-UHFFFAOYSA-N -1 1 360.458 2.824 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)ccc1C#N ZINC000435732758 513671566 /nfs/dbraw/zinc/67/15/66/513671566.db2.gz QOCMUKONNQXGQW-HSZRJFAPSA-N -1 1 362.476 2.854 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)cc1Br ZINC000451558255 513833364 /nfs/dbraw/zinc/83/33/64/513833364.db2.gz ZAVDCNUOLAVNJJ-RKDXNWHRSA-N -1 1 365.199 2.629 20 30 FFEDMM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F ZINC000443275554 513918075 /nfs/dbraw/zinc/91/80/75/513918075.db2.gz PQTDHWHGJAGWBW-CQSZACIVSA-N -1 1 352.316 2.648 20 30 FFEDMM N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Cl)cc3[O-])C2=O)cc1 ZINC000436921520 514035316 /nfs/dbraw/zinc/03/53/16/514035316.db2.gz VRXRAHPXNHXEJZ-INIZCTEOSA-N -1 1 369.808 2.843 20 30 FFEDMM CCc1ncc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000451956696 514094059 /nfs/dbraw/zinc/09/40/59/514094059.db2.gz IAYXVHOELCMSAG-UHFFFAOYSA-N -1 1 359.329 2.606 20 30 FFEDMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427275132 514169320 /nfs/dbraw/zinc/16/93/20/514169320.db2.gz KQUFQWNYRUDJTN-UHFFFAOYSA-N -1 1 364.398 2.913 20 30 FFEDMM Cc1ccc(F)c(-c2cc(=NC(=O)COc3ccccc3C#N)[nH][n-]2)c1 ZINC000444796832 514335980 /nfs/dbraw/zinc/33/59/80/514335980.db2.gz BYJADELQAYCFJT-UHFFFAOYSA-N -1 1 350.353 2.835 20 30 FFEDMM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000433454218 514496079 /nfs/dbraw/zinc/49/60/79/514496079.db2.gz DSTDYRNVUMFLNA-CYBMUJFWSA-N -1 1 359.304 2.516 20 30 FFEDMM CC(C)[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000470578680 514536711 /nfs/dbraw/zinc/53/67/11/514536711.db2.gz MOVUGWSHVWHBLE-QGZVFWFLSA-N -1 1 357.435 2.765 20 30 FFEDMM N#Cc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)cc1[O-] ZINC000461260885 514554281 /nfs/dbraw/zinc/55/42/81/514554281.db2.gz GAPJFXJAWUDLBG-RDJZCZTQSA-N -1 1 356.809 2.765 20 30 FFEDMM C=CC[C@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1ccccc1 ZINC000461452121 514623563 /nfs/dbraw/zinc/62/35/63/514623563.db2.gz HSSBXKJSDCWBPJ-HNNXBMFYSA-N -1 1 360.435 2.599 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471124836 514762455 /nfs/dbraw/zinc/76/24/55/514762455.db2.gz ZIEWJNVUMNFCNR-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N)C(C)=O ZINC000475800738 514815158 /nfs/dbraw/zinc/81/51/58/514815158.db2.gz YJYOXSQKODUURQ-UHFFFAOYSA-N -1 1 371.462 2.922 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1 ZINC000475812357 514820809 /nfs/dbraw/zinc/82/08/09/514820809.db2.gz NFFCBTVQCVQUME-UHFFFAOYSA-N -1 1 355.419 2.680 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1F ZINC000475816920 514821773 /nfs/dbraw/zinc/82/17/73/514821773.db2.gz VDWMLMCKXMBUDO-UHFFFAOYSA-N -1 1 364.398 2.718 20 30 FFEDMM C=CCNC(=O)c1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1 ZINC000485692557 515145956 /nfs/dbraw/zinc/14/59/56/515145956.db2.gz PLMWBQWVLZKFHP-UHFFFAOYSA-N -1 1 374.400 2.809 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nc(C(C)(C)C)no1 ZINC000481070681 515195568 /nfs/dbraw/zinc/19/55/68/515195568.db2.gz KCBFFARQYIXGEV-JTQLQIEISA-N -1 1 366.418 2.558 20 30 FFEDMM CO[C@H](C)c1nc(=NC2CCC(Oc3ncccc3C#N)CC2)s[n-]1 ZINC000509869396 515352973 /nfs/dbraw/zinc/35/29/73/515352973.db2.gz LXPKQUAXMVMJMI-LMWSTFAQSA-N -1 1 359.455 2.736 20 30 FFEDMM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C1 ZINC000548797787 517221642 /nfs/dbraw/zinc/22/16/42/517221642.db2.gz ZOJJYTIZRPEOPH-VIFPVBQESA-N -1 1 364.448 2.993 20 30 FFEDMM COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000515494155 517379105 /nfs/dbraw/zinc/37/91/05/517379105.db2.gz DWHHGRUTMYLZFY-MRXNPFEDSA-N -1 1 352.390 2.956 20 30 FFEDMM N#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000542380629 517530728 /nfs/dbraw/zinc/53/07/28/517530728.db2.gz OZZRJHBCMWKXDK-UHFFFAOYSA-N -1 1 361.398 2.660 20 30 FFEDMM CC1(C)[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1OCc1ccccc1 ZINC000553523362 517760131 /nfs/dbraw/zinc/76/01/31/517760131.db2.gz FIEFDCQDDSIDJH-HOTGVXAUSA-N -1 1 360.435 2.813 20 30 FFEDMM CC(C)n1cc(C2=CCCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)nn1 ZINC000569624792 518209671 /nfs/dbraw/zinc/20/96/71/518209671.db2.gz ZAJBMUZFHXUBLA-UHFFFAOYSA-N -1 1 351.410 2.756 20 30 FFEDMM N#CC(=C([O-])c1cnn2c1OCCC2)c1nc2ccccc2n1C(F)F ZINC000578827591 518389287 /nfs/dbraw/zinc/38/92/87/518389287.db2.gz SQRQYKZKKXDCPA-SNVBAGLBSA-N -1 1 357.320 2.900 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC(CCC#N)CC1 ZINC000582005535 518543486 /nfs/dbraw/zinc/54/34/86/518543486.db2.gz YYMHNFGBYWHGJJ-UHFFFAOYSA-N -1 1 365.437 2.638 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC#N)o1 ZINC000573403350 518646769 /nfs/dbraw/zinc/64/67/69/518646769.db2.gz QPIVIJLRIIQAJH-UHFFFAOYSA-N -1 1 361.423 2.675 20 30 FFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000588942819 518876969 /nfs/dbraw/zinc/87/69/69/518876969.db2.gz NAOXJWQVYPKTOT-SECBINFHSA-N -1 1 354.325 2.941 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000589190064 518945648 /nfs/dbraw/zinc/94/56/48/518945648.db2.gz NKRKGTAKWQIAFJ-HNNXBMFYSA-N -1 1 363.417 2.546 20 30 FFEDMM CN1C(=O)C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000589196756 518947128 /nfs/dbraw/zinc/94/71/28/518947128.db2.gz GABYUOIUJICURG-FUHWJXTLSA-N -1 1 369.808 2.619 20 30 FFEDMM Cn1cc([C@H](NC(=O)c2cc([O-])cc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000589209509 518951900 /nfs/dbraw/zinc/95/19/00/518951900.db2.gz GTOWBKILKRDFNJ-GOSISDBHSA-N -1 1 350.353 2.656 20 30 FFEDMM CCN(CC)c1n[nH]c([N-]S(=O)(=O)Cc2ccc(C)c(C)c2)c1C#N ZINC000580120423 519015995 /nfs/dbraw/zinc/01/59/95/519015995.db2.gz XVDWBCWQEQYZEX-UHFFFAOYSA-N -1 1 361.471 2.686 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ncccc2Br)c1 ZINC000589587456 519035959 /nfs/dbraw/zinc/03/59/59/519035959.db2.gz WCTRJRKGGVABCU-UHFFFAOYSA-N -1 1 352.213 2.711 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)cc2C[C@@H]1C ZINC000589594395 519037295 /nfs/dbraw/zinc/03/72/95/519037295.db2.gz URBJWRNYOZHKTK-NSHDSACASA-N -1 1 373.409 2.796 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2)cc1Br ZINC000580362423 519134416 /nfs/dbraw/zinc/13/44/16/519134416.db2.gz QJGVZAIOJAHTOY-UHFFFAOYSA-N -1 1 369.215 2.938 20 30 FFEDMM O=C([O-])[C@]1(C(F)(F)F)CCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000569493744 519581068 /nfs/dbraw/zinc/58/10/68/519581068.db2.gz YKAXVWCQKQGEDK-QMMMGPOBSA-N -1 1 359.213 2.540 20 30 FFEDMM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000591328556 519592706 /nfs/dbraw/zinc/59/27/06/519592706.db2.gz BUQBYJLJHVBZDE-LLVKDONJSA-N -1 1 365.199 2.787 20 30 FFEDMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1 ZINC000591491399 519930911 /nfs/dbraw/zinc/93/09/11/519930911.db2.gz YFLHOMGLYQZCBS-AWEZNQCLSA-N -1 1 365.842 2.606 20 30 FFEDMM CC(C)C[C@@H](C#N)NC(=O)c1ccc(I)c([O-])c1 ZINC000612823547 520168034 /nfs/dbraw/zinc/16/80/34/520168034.db2.gz YKNYLXHEXNRVSD-JTQLQIEISA-N -1 1 358.179 2.665 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)cc1[O-] ZINC000597848315 520278199 /nfs/dbraw/zinc/27/81/99/520278199.db2.gz GCTRBFMQELXHBS-LJQANCHMSA-N -1 1 366.417 2.524 20 30 FFEDMM CO[C@](C)(CNC(=O)c1cc([O-])cc(C#N)c1)COCc1ccccc1 ZINC000597989417 520363629 /nfs/dbraw/zinc/36/36/29/520363629.db2.gz HXBMFFIGQDDDDI-HXUWFJFHSA-N -1 1 354.406 2.616 20 30 FFEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000600667613 520385386 /nfs/dbraw/zinc/38/53/86/520385386.db2.gz FMGLABGORNGBRB-UHFFFAOYSA-N -1 1 374.409 2.892 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(F)c1 ZINC000610123806 520549341 /nfs/dbraw/zinc/54/93/41/520549341.db2.gz BAGUYDYKVSRMPA-UHFFFAOYSA-N -1 1 373.409 2.933 20 30 FFEDMM Cc1nc(SCC(=O)NCc2cccc(C#N)c2)[n-]c(=O)c1C1CC1 ZINC000601088667 520629488 /nfs/dbraw/zinc/62/94/88/520629488.db2.gz XWAADVXFJOEUJY-UHFFFAOYSA-N -1 1 354.435 2.648 20 30 FFEDMM C=CC[C@@H]1CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000617784936 520717708 /nfs/dbraw/zinc/71/77/08/520717708.db2.gz ALTIOVGEKFQQIB-OAHLLOKOSA-N -1 1 352.438 2.910 20 30 FFEDMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000598739363 520818842 /nfs/dbraw/zinc/81/88/42/520818842.db2.gz CGZRIUUUTKMHTM-GOSISDBHSA-N -1 1 352.390 2.510 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c1 ZINC000614364081 520928195 /nfs/dbraw/zinc/92/81/95/520928195.db2.gz HGUFGMUDZGKYMI-UHFFFAOYSA-N -1 1 364.405 2.822 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccccc1 ZINC000611107652 520988949 /nfs/dbraw/zinc/98/89/49/520988949.db2.gz CRPDOAVXMXTYNE-CQSZACIVSA-N -1 1 364.427 2.797 20 30 FFEDMM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc(C#N)cc2Cl)CCOC1 ZINC000601976605 521052620 /nfs/dbraw/zinc/05/26/20/521052620.db2.gz HLFVMXDTXCJZQN-HNNXBMFYSA-N -1 1 358.847 2.537 20 30 FFEDMM COC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000615481097 521419103 /nfs/dbraw/zinc/41/91/03/521419103.db2.gz INNHBYBPYNGQAP-QGZVFWFLSA-N -1 1 352.390 2.934 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N2Cc3ccc(C#N)cc3C2)c(=O)[n-]1 ZINC000594136868 521427833 /nfs/dbraw/zinc/42/78/33/521427833.db2.gz KPXVCOVGHJUMJW-UHFFFAOYSA-N -1 1 354.435 2.559 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000619461579 521579272 /nfs/dbraw/zinc/57/92/72/521579272.db2.gz ZCBFLSNECPPCQK-UHFFFAOYSA-N -1 1 370.434 2.837 20 30 FFEDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc2[nH]1 ZINC000619463615 521580894 /nfs/dbraw/zinc/58/08/94/521580894.db2.gz CACYEDLYCAHJPK-UHFFFAOYSA-N -1 1 367.430 2.957 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)c1 ZINC000619677049 521822235 /nfs/dbraw/zinc/82/22/35/521822235.db2.gz HOQVLMPBXFTPFG-QGZVFWFLSA-N -1 1 361.401 2.829 20 30 FFEDMM COc1ccc(C=C2Oc3cc([O-])cc(C)c3C2=O)cc1-c1nn[nH]n1 ZINC000737082980 599155954 /nfs/dbraw/zinc/15/59/54/599155954.db2.gz LZBGTNZYVIQMED-VIZOYTHASA-N -1 1 350.334 2.506 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000738605441 597078682 /nfs/dbraw/zinc/07/86/82/597078682.db2.gz VLECWVUWEKPVSO-ZDUSSCGKSA-N -1 1 361.467 2.864 20 30 FFEDMM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818631402 597082326 /nfs/dbraw/zinc/08/23/26/597082326.db2.gz SLDUAWLIIGOPMH-JKSUJKDBSA-N -1 1 373.453 2.517 20 30 FFEDMM C=CCc1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735442472 598686727 /nfs/dbraw/zinc/68/67/27/598686727.db2.gz CIRCZXBEPMHFMH-UHFFFAOYSA-N -1 1 360.370 2.502 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2[C@@H]3CCCO[C@H]3C2(C)C)o1 ZINC000819966086 599336725 /nfs/dbraw/zinc/33/67/25/599336725.db2.gz WBSACKKSUCKVIU-JOYOIKCWSA-N -1 1 359.434 2.755 20 30 FFEDMM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000739066798 599783505 /nfs/dbraw/zinc/78/35/05/599783505.db2.gz QUMWZLUINYMVPV-KXBFYZLASA-N -1 1 372.384 2.639 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000738409681 600133088 /nfs/dbraw/zinc/13/30/88/600133088.db2.gz YLGGONHTIZSDIE-CQSZACIVSA-N -1 1 363.845 2.692 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN(C)C[C@H](C)C(=O)[O-])ccc1Cl ZINC000738409642 600363601 /nfs/dbraw/zinc/36/36/01/600363601.db2.gz YAOCESIQUFKXEX-ZDUSSCGKSA-N -1 1 351.834 2.548 20 30 FFEDMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCCSCC#N)CC2 ZINC000832103128 600793187 /nfs/dbraw/zinc/79/31/87/600793187.db2.gz LHYMSCANWPTZOH-HNNXBMFYSA-N -1 1 364.467 2.725 20 30 FFEDMM C[C@@H](/N=C\c1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000738946524 602097828 /nfs/dbraw/zinc/09/78/28/602097828.db2.gz SFEIHVMCQAWZCM-ILPVMKRFSA-N -1 1 350.994 2.809 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000740129962 602531107 /nfs/dbraw/zinc/53/11/07/602531107.db2.gz IEYPYQDWMGWWDZ-IAGOWNOFSA-N -1 1 372.469 2.562 20 30 FFEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000825254413 604225307 /nfs/dbraw/zinc/22/53/07/604225307.db2.gz MQPFSVDBYMTELF-YESZJQIVSA-N -1 1 372.469 2.690 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833402328 605598137 /nfs/dbraw/zinc/59/81/37/605598137.db2.gz JCGBWRIKWSMQKJ-RUNBWSAHSA-N -1 1 372.402 2.876 20 30 FFEDMM O=C([O-])N1CC[C@@]2(C1)CC(N=Nc1ccc(F)cn1)c1ccccc1O2 ZINC000834088949 605626625 /nfs/dbraw/zinc/62/66/25/605626625.db2.gz ZZLLHOXWQUYZOD-SFHVURJKSA-N -1 1 356.357 2.942 20 30 FFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832817 605900057 /nfs/dbraw/zinc/90/00/57/605900057.db2.gz URNHEURDSRHNSI-UTUOFQBUSA-N -1 1 364.833 2.517 20 30 FFEDMM Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000833940738 605948373 /nfs/dbraw/zinc/94/83/73/605948373.db2.gz QDSXVIIJEMMCKZ-ZBFHGGJFSA-N -1 1 362.389 2.628 20 30 FFEDMM CCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825272103 607868292 /nfs/dbraw/zinc/86/82/92/607868292.db2.gz VANDLFCSDCYOTE-UHFFFAOYSA-N -1 1 364.475 2.780 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2coc(-c3ccc(C)cc3)n2)o1 ZINC000826273452 607886659 /nfs/dbraw/zinc/88/66/59/607886659.db2.gz FJSGWTBPLGUFJO-UHFFFAOYSA-N -1 1 350.342 2.573 20 30 FFEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccccc1 ZINC000823937430 607895493 /nfs/dbraw/zinc/89/54/93/607895493.db2.gz XNMHKQMTPBOCJC-UHFFFAOYSA-N -1 1 362.422 2.857 20 30 FFEDMM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccccc1 ZINC000823937430 607895494 /nfs/dbraw/zinc/89/54/94/607895494.db2.gz XNMHKQMTPBOCJC-UHFFFAOYSA-N -1 1 362.422 2.857 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000824142882 609303691 /nfs/dbraw/zinc/30/36/91/609303691.db2.gz ZEAOTOBKYAWXNN-UHFFFAOYSA-N -1 1 374.336 2.646 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1N1CCOC1=O ZINC000746056245 735460325 /nfs/dbraw/zinc/46/03/25/735460325.db2.gz DRADPSKDCVZLFM-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000114673260 728562492 /nfs/dbraw/zinc/56/24/92/728562492.db2.gz BYYVQYPWINQTMQ-UHFFFAOYSA-N -1 1 355.419 2.794 20 30 FFEDMM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(Br)c1 ZINC000129469688 728711607 /nfs/dbraw/zinc/71/16/07/728711607.db2.gz TWWMWLWYGMANJV-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000185356037 729347529 /nfs/dbraw/zinc/34/75/29/729347529.db2.gz OPKNKCXAZOADLR-CYBMUJFWSA-N -1 1 360.410 2.686 20 30 FFEDMM C#CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000190999124 729413607 /nfs/dbraw/zinc/41/36/07/729413607.db2.gz SNUJQAJVNNPEOQ-UHFFFAOYSA-N -1 1 360.410 2.640 20 30 FFEDMM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000194145216 729501049 /nfs/dbraw/zinc/50/10/49/729501049.db2.gz GABKOWNMKVLEII-UHFFFAOYSA-N -1 1 373.825 2.808 20 30 FFEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@@H]1CCCOCC1 ZINC000857208553 730385270 /nfs/dbraw/zinc/38/52/70/730385270.db2.gz ZTABOKVTMBXNES-GFCCVEGCSA-N -1 1 364.427 2.674 20 30 FFEDMM COCCCNN=C(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863109356 730750689 /nfs/dbraw/zinc/75/06/89/730750689.db2.gz LEWKQKTXZJVMHK-UHFFFAOYSA-N -1 1 361.467 2.838 20 30 FFEDMM O=S1(=O)CCC[C@@H](NN=Cc2cc(Cl)c3ccccc3c2[O-])C1 ZINC000863132038 730752130 /nfs/dbraw/zinc/75/21/30/730752130.db2.gz AADZYYMDASUVEB-GFCCVEGCSA-N -1 1 352.843 2.700 20 30 FFEDMM C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C#N)c1[O-] ZINC000866314753 731048776 /nfs/dbraw/zinc/04/87/76/731048776.db2.gz GSVFQMUFIVYFDS-ZDUSSCGKSA-N -1 1 357.435 2.977 20 30 FFEDMM O=C(Nc1cc(F)c(F)c(F)c1F)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000871268449 731614021 /nfs/dbraw/zinc/61/40/21/731614021.db2.gz MBQGGFDZMRAVLB-FFWSUHOLSA-N -1 1 358.213 2.639 20 30 FFEDMM Cn1cc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c(C(C)(C)C)n1 ZINC000872006903 731717811 /nfs/dbraw/zinc/71/78/11/731717811.db2.gz ALEOBESLZTWTDO-UHFFFAOYSA-N -1 1 354.382 2.668 20 30 FFEDMM C=CCN(Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000781902203 738669682 /nfs/dbraw/zinc/66/96/82/738669682.db2.gz OFAMGYUJMLDTEP-CYBMUJFWSA-N -1 1 374.300 2.638 20 30 FFEDMM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1ccc(CC#N)cc1)C1CCCCC1 ZINC000882301796 733205673 /nfs/dbraw/zinc/20/56/73/733205673.db2.gz XLFCCKJSSBAHGE-QHCPKHFHSA-N -1 1 369.512 2.518 20 30 FFEDMM C[C@@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)c1cccc(C#N)c1 ZINC000783022498 738773546 /nfs/dbraw/zinc/77/35/46/738773546.db2.gz CTJNTDCLYWSMJO-SNVBAGLBSA-N -1 1 350.421 2.909 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)Nc2cc(C)ccc2F)c1 ZINC000726737384 734442242 /nfs/dbraw/zinc/44/22/42/734442242.db2.gz QAXMUMVLQPTPPT-UHFFFAOYSA-N -1 1 361.398 2.947 20 30 FFEDMM CC(C)COc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000730144809 734617711 /nfs/dbraw/zinc/61/77/11/734617711.db2.gz IMPDJGKXKMGCPT-UHFFFAOYSA-N -1 1 357.435 2.794 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000733077614 734787297 /nfs/dbraw/zinc/78/72/97/734787297.db2.gz FLMXTWMAEWZDPU-UHFFFAOYSA-N -1 1 356.367 2.968 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OCC(F)(F)F)c(=O)o1 ZINC000741840085 735164982 /nfs/dbraw/zinc/16/49/82/735164982.db2.gz FYLJPYXJLPHAHL-XHPSBEMXSA-N -1 1 354.280 2.856 20 30 FFEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ncccn3)s2)cc1 ZINC000742223617 735212701 /nfs/dbraw/zinc/21/27/01/735212701.db2.gz HNQPCJVPCYTGFX-UHFFFAOYSA-N -1 1 354.420 2.744 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCc2c1cccc2Cl ZINC000748248452 735630131 /nfs/dbraw/zinc/63/01/31/735630131.db2.gz PBLXSTUYADYUCH-UHFFFAOYSA-N -1 1 365.798 2.877 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000748248375 735630254 /nfs/dbraw/zinc/63/02/54/735630254.db2.gz NEYIOOIYGVDQEG-UHFFFAOYSA-N -1 1 355.322 2.576 20 30 FFEDMM CCO[C@@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000748254819 735630616 /nfs/dbraw/zinc/63/06/16/735630616.db2.gz IAPBDMRXLGOMNE-OAHLLOKOSA-N -1 1 369.443 2.844 20 30 FFEDMM CCO[C@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000748254766 735630658 /nfs/dbraw/zinc/63/06/58/735630658.db2.gz FOYMGBSVKZFUDN-HNNXBMFYSA-N -1 1 367.427 2.598 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000748253702 735630724 /nfs/dbraw/zinc/63/07/24/735630724.db2.gz RQCJEVIAOYURMK-UHFFFAOYSA-N -1 1 363.395 2.696 20 30 FFEDMM COc1cc(CN=Nc2ccc(C(F)(F)F)nn2)cc([N+](=O)[O-])c1[O-] ZINC000754708393 736189887 /nfs/dbraw/zinc/18/98/87/736189887.db2.gz AGJHAEQFSMYGGA-UHFFFAOYSA-N -1 1 357.248 2.564 20 30 FFEDMM C#CCNC(=S)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000758190514 736460962 /nfs/dbraw/zinc/46/09/62/736460962.db2.gz OTESAYCNTJULKF-UHFFFAOYSA-N -1 1 359.476 2.715 20 30 FFEDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)C(=O)OC(C)(C)C ZINC000759078594 736545754 /nfs/dbraw/zinc/54/57/54/736545754.db2.gz BTYTXMONVYMGBZ-KBPBESRZSA-N -1 1 358.504 2.746 20 30 FFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000759193216 736554281 /nfs/dbraw/zinc/55/42/81/736554281.db2.gz HAUVLGOSWASQSJ-UHFFFAOYSA-N -1 1 356.451 2.605 20 30 FFEDMM CC(=NNc1nccn(C)c1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000764698923 737042304 /nfs/dbraw/zinc/04/23/04/737042304.db2.gz NSCQOQNLHQCUSL-UHFFFAOYSA-N -1 1 371.622 2.738 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000769656075 737551109 /nfs/dbraw/zinc/55/11/09/737551109.db2.gz SSAGJJBGDYZCJA-OAHLLOKOSA-N -1 1 356.447 2.890 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccc2ccccc2c1 ZINC000914354470 737563778 /nfs/dbraw/zinc/56/37/78/737563778.db2.gz IMJJCFISEWNWEI-INIZCTEOSA-N -1 1 360.435 2.523 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(OC(F)F)c1 ZINC000914600065 737585730 /nfs/dbraw/zinc/58/57/30/737585730.db2.gz MSJRPNCMFYSBEW-UHFFFAOYSA-N -1 1 365.361 2.751 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2c([O-])cccc2Cl)[C@@H](C#N)C1 ZINC000769958861 737586817 /nfs/dbraw/zinc/58/68/17/737586817.db2.gz VSOOXVRNFPXEDG-NSHDSACASA-N -1 1 365.817 2.631 20 30 FFEDMM O=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc([O-])c(Br)c1 ZINC000916325811 737697379 /nfs/dbraw/zinc/69/73/79/737697379.db2.gz JMSZJHDGCHOWMZ-UHFFFAOYSA-N -1 1 366.215 2.743 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cc[nH]c3=O)c2)cc1Cl ZINC000919960405 737884990 /nfs/dbraw/zinc/88/49/90/737884990.db2.gz VWNDXGLZXNXYJP-UHFFFAOYSA-N -1 1 374.809 2.904 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCCc3sccc32)cc1 ZINC000814821952 741867870 /nfs/dbraw/zinc/86/78/70/741867870.db2.gz DQGXXMMCIOZYGW-UHFFFAOYSA-N -1 1 365.436 2.816 20 30 FFEDMM CC(C)(C#N)[C@@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000814822046 741867893 /nfs/dbraw/zinc/86/78/93/741867893.db2.gz FPHLPAOLBBFUHF-CQSZACIVSA-N -1 1 364.427 2.720 20 30 FFEDMM C=C[C@@](C)(CCOC)COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000784623616 738908933 /nfs/dbraw/zinc/90/89/33/738908933.db2.gz ARGSMLJEZWWJQC-KRWDZBQOSA-N -1 1 373.471 2.742 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c([N+](=O)[O-])c1 ZINC000808114215 741188164 /nfs/dbraw/zinc/18/81/64/741188164.db2.gz UPKODNISBAPRQL-UHFFFAOYSA-N -1 1 371.733 2.765 20 30 FFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809839312 741352365 /nfs/dbraw/zinc/35/23/65/741352365.db2.gz GJFJRJFRJVYCFY-QMMMGPOBSA-N -1 1 351.211 2.982 20 30 FFEDMM CC(C)(C#N)CC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817490598 742154109 /nfs/dbraw/zinc/15/41/09/742154109.db2.gz RUNJZWZKEAMJBL-LBPRGKRZSA-N -1 1 353.344 2.563 20 30 FFEDMM C=C(C)CCNC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817785582 742213249 /nfs/dbraw/zinc/21/32/49/742213249.db2.gz KEVDIKUUVQKAQA-ZDUSSCGKSA-N -1 1 355.360 2.772 20 30 FFEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000819897470 742441477 /nfs/dbraw/zinc/44/14/77/742441477.db2.gz IGJDTSGHHBQBBS-JGVFFNPUSA-N -1 1 364.210 2.872 20 30 FFEDMM Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])c1C#N ZINC001045438830 743275236 /nfs/dbraw/zinc/27/52/36/743275236.db2.gz NISBVZXWAODTDT-CHWSQXEVSA-N -1 1 357.439 2.577 20 30 FFEDMM C#C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000842389863 747587476 /nfs/dbraw/zinc/58/74/76/747587476.db2.gz PJUOUYRXWDUYJE-CQSZACIVSA-N -1 1 361.419 2.888 20 30 FFEDMM N#Cc1cc(Br)ccc1N1CC(C(=O)[N-]OCCC2CC2)C1 ZINC000843892797 747921941 /nfs/dbraw/zinc/92/19/41/747921941.db2.gz HLPDIHTYYMHZQX-UHFFFAOYSA-N -1 1 364.243 2.605 20 30 FFEDMM C=CCn1c(C(C)C)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848466712 748934466 /nfs/dbraw/zinc/93/44/66/748934466.db2.gz UTOMDBOLRHFZJY-VXGBXAGGSA-N -1 1 359.396 2.623 20 30 FFEDMM C[C@H](CCCCNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F ZINC000854580438 750333615 /nfs/dbraw/zinc/33/36/15/750333615.db2.gz MRNLMYSURWNLNJ-ZCFIWIBFSA-N -1 1 372.256 2.578 20 30 FFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCC#N)cc1 ZINC000497540849 845923803 /nfs/dbraw/zinc/92/38/03/845923803.db2.gz TUSNPNSJOBKKMN-UHFFFAOYSA-N -1 1 361.398 2.578 20 30 FFEDMM CON=Cc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000588576703 845981832 /nfs/dbraw/zinc/98/18/32/845981832.db2.gz VNCAOXNPHCSKJA-UHFFFAOYSA-N -1 1 350.172 2.782 20 30 FFEDMM C#CCOc1cccc(Oc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001573289539 946885498 /nfs/dbraw/zinc/88/54/98/946885498.db2.gz NPYVAJVWXZUJPV-UHFFFAOYSA-N -1 1 355.285 2.718 20 30 FFEDMM Cc1nc(Cn2cnc(C#N)c2-c2nn[n-]n2)oc1-c1ccc(Cl)cc1 ZINC000826326987 947954288 /nfs/dbraw/zinc/95/42/88/947954288.db2.gz NKGOJGCGUOPDPE-UHFFFAOYSA-N -1 1 366.772 2.600 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OCc2ccccn2)c(=O)o1 ZINC000025197954 968057544 /nfs/dbraw/zinc/05/75/44/968057544.db2.gz NMLPUXDTQLCKJM-XTXLJPNXSA-N -1 1 363.369 2.889 20 30 FFEDMM C#C[C@H]1CC[C@H](NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CC1 ZINC000874864844 1013918817 /nfs/dbraw/zinc/91/88/17/1013918817.db2.gz VUJKGQVZYOIHIU-JCNLHEQBSA-N -1 1 364.449 2.793 20 30 FFEDMM CC[C@H](C#N)Oc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccc1OC ZINC000825826861 1014093075 /nfs/dbraw/zinc/09/30/75/1014093075.db2.gz JYYRVNKXXGPRFN-GFCCVEGCSA-N -1 1 374.368 2.856 20 30 FFEDMM COc1cnc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)[n-]c1=O ZINC000897224283 973470677 /nfs/dbraw/zinc/47/06/77/973470677.db2.gz MMKYJLRXEKJEGE-JTQLQIEISA-N -1 1 365.315 2.818 20 30 FFEDMM COCc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392978 975094022 /nfs/dbraw/zinc/09/40/22/975094022.db2.gz JAXVPIKWIKOVPY-INIZCTEOSA-N -1 1 374.404 2.834 20 30 FFEDMM C=C1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CC1 ZINC000981207352 976344314 /nfs/dbraw/zinc/34/43/14/976344314.db2.gz DCDAPDCYJYRMCC-GOEBONIOSA-N -1 1 357.454 2.548 20 30 FFEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)NCCC#N ZINC000426447595 978019975 /nfs/dbraw/zinc/01/99/75/978019975.db2.gz BDZVCNVTEGQHRY-UHFFFAOYSA-N -1 1 372.450 2.542 20 30 FFEDMM Cn1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2ccccc2[S-])cc1C#N ZINC001272013438 979719969 /nfs/dbraw/zinc/71/99/69/979719969.db2.gz PVUJVIFUHBHTPO-ROUUACIJSA-N -1 1 366.490 2.674 20 30 FFEDMM CC(C)C1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC001211941123 981224711 /nfs/dbraw/zinc/22/47/11/981224711.db2.gz QUBNCTRBZLUMIK-UHFFFAOYSA-N -1 1 361.236 2.927 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccc(F)cc1 ZINC001211945908 981233445 /nfs/dbraw/zinc/23/34/45/981233445.db2.gz HUOWNTPQLSQUDG-WAIKUNEKSA-N -1 1 372.487 2.765 20 30 FFEDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000762564172 988469300 /nfs/dbraw/zinc/46/93/00/988469300.db2.gz HJTNBEHVHPWTHF-IUODEOHRSA-N -1 1 359.426 2.639 20 30 FFEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C)C#N)cc2)cc1 ZINC000916063850 989731944 /nfs/dbraw/zinc/73/19/44/989731944.db2.gz PRKVXYOGHYMSNC-ZDUSSCGKSA-N -1 1 374.418 2.955 20 30 FFEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(OCC(=O)N(C)C)cc1 ZINC000916240547 989762564 /nfs/dbraw/zinc/76/25/64/989762564.db2.gz GXQGGHNPYAANPZ-UHFFFAOYSA-N -1 1 355.394 2.688 20 30 FFEDMM CN(CC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1)C(=O)OC(C)(C)C ZINC000809666311 994575909 /nfs/dbraw/zinc/57/59/09/994575909.db2.gz UKGXADUVYWSXLA-UHFFFAOYSA-N -1 1 373.453 2.983 20 30 FFEDMM CC(C)C[C@H](O)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001144167963 998105238 /nfs/dbraw/zinc/10/52/38/998105238.db2.gz MQLKQLDRBVIYOX-BEAUZRKQSA-N -1 1 360.439 2.567 20 30 FFEDMM COc1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1OCCCC#N ZINC001599560618 998185047 /nfs/dbraw/zinc/18/50/47/998185047.db2.gz NNQYBOQEJJQVIG-OAHLLOKOSA-N -1 1 364.467 2.770 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)CC#N)c2)cc1 ZINC000733712617 999057663 /nfs/dbraw/zinc/05/76/63/999057663.db2.gz WXITWNAVVXRBFU-ZDUSSCGKSA-N -1 1 374.418 2.955 20 30 FFEDMM C#CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000733883616 999095141 /nfs/dbraw/zinc/09/51/41/999095141.db2.gz SQKACICZDIDFJM-UHFFFAOYSA-N -1 1 372.446 2.638 20 30 FFEDMM C#CC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000733978577 999163980 /nfs/dbraw/zinc/16/39/80/999163980.db2.gz HWCJSVIJXCCNNC-UHFFFAOYSA-N -1 1 372.446 2.638 20 30 FFEDMM COc1ccc(CN=Nc2cnnc3ccccc23)c(OCC(=O)[O-])c1 ZINC000734364839 999273874 /nfs/dbraw/zinc/27/38/74/999273874.db2.gz ICMQJGVZZCFEEP-UHFFFAOYSA-N -1 1 352.350 2.548 20 30 FFEDMM CC(C)OC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000735026330 999381909 /nfs/dbraw/zinc/38/19/09/999381909.db2.gz DDWRINKOGSUHEX-UHFFFAOYSA-N -1 1 373.434 2.994 20 30 FFEDMM C#CCCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000742788269 999787385 /nfs/dbraw/zinc/78/73/85/999787385.db2.gz LBLZFVGBRSZOQH-UHFFFAOYSA-N -1 1 374.437 2.699 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000766360646 999988139 /nfs/dbraw/zinc/98/81/39/999988139.db2.gz HSLRQIIHCBFGRY-UHFFFAOYSA-N -1 1 372.381 2.692 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001169539358 1000057560 /nfs/dbraw/zinc/05/75/60/1000057560.db2.gz IJTDBNLBFVGKPY-KSSFIOAISA-N -1 1 364.449 2.608 20 30 FFEDMM CC(C)c1ccc2c(c1)C(=NNc1nc3[nH][n-]cc-3c(=O)n1)CCCO2 ZINC000767781956 1000145099 /nfs/dbraw/zinc/14/50/99/1000145099.db2.gz LSNHVGRVDAATDM-UHFFFAOYSA-N -1 1 352.398 2.544 20 30 FFEDMM N#Cc1ccc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)nc1 ZINC000847001249 1000509724 /nfs/dbraw/zinc/50/97/24/1000509724.db2.gz IGTQBNYFILVHFU-OAHLLOKOSA-N -1 1 360.339 2.563 20 30 FFEDMM Cc1cc(=O)[n-]c(N=NC(C)CCCCN2C(=O)c3ccccc3C2=O)n1 ZINC000769764454 1000590605 /nfs/dbraw/zinc/59/06/05/1000590605.db2.gz ANWJOZBYTQPDOE-UHFFFAOYSA-N -1 1 367.409 2.745 20 30 FFEDMM Cc1cc2c(cc1C)C(N=Nc1nc3c(cnn3C)c(=O)[n-]1)CCCO2 ZINC000769816977 1000598316 /nfs/dbraw/zinc/59/83/16/1000598316.db2.gz KBELVHYECBJPTJ-UHFFFAOYSA-N -1 1 352.398 2.675 20 30 FFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000785589827 1001455053 /nfs/dbraw/zinc/45/50/53/1001455053.db2.gz GXCQJDVWSDEJNR-CHWSQXEVSA-N -1 1 359.426 2.734 20 30 FFEDMM CCN1CCN(c2ccc(NC(=O)CCC(=O)C3=CC=C[CH]3)cc2F)CC1 ZINC001184245490 1002538402 /nfs/dbraw/zinc/53/84/02/1002538402.db2.gz SFQCDHYYJSGCKD-UHFFFAOYSA-N -1 1 370.448 2.956 20 30 FFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1 ZINC001185137490 1002815141 /nfs/dbraw/zinc/81/51/41/1002815141.db2.gz FNYGBGPLJCCLHP-UHFFFAOYSA-N -1 1 366.345 2.565 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(OC)c(C#N)c1 ZINC000747046677 1002830086 /nfs/dbraw/zinc/83/00/86/1002830086.db2.gz SZGIBDAGMRKMHZ-UHFFFAOYSA-N -1 1 374.418 2.685 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(COC)cc(C(=O)OCC)c2)c1 ZINC000793351717 1003347916 /nfs/dbraw/zinc/34/79/16/1003347916.db2.gz DQBFFYZXEHGBGE-UHFFFAOYSA-N -1 1 373.430 2.792 20 30 FFEDMM COC(=O)c1cncc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)n1 ZINC001196309157 1003730937 /nfs/dbraw/zinc/73/09/37/1003730937.db2.gz OOBRBMWCNHGYBP-UHFFFAOYSA-N -1 1 374.356 2.760 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC[C@@H](n4ccnn4)C3)c2)c1 ZINC001196319481 1003741191 /nfs/dbraw/zinc/74/11/91/1003741191.db2.gz VJOGKLWRZVGEFU-LJQANCHMSA-N -1 1 373.416 3.000 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N[C@H](CO)C(F)(F)F)c2)c1 ZINC001196330346 1003744205 /nfs/dbraw/zinc/74/42/05/1003744205.db2.gz PTKRVBWAKATVKA-OAHLLOKOSA-N -1 1 350.296 2.584 20 30 FFEDMM CC(=O)Nc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3[O-])n[nH]2)c1 ZINC001191389227 1003791888 /nfs/dbraw/zinc/79/18/88/1003791888.db2.gz WMCNWUIXSHDRFH-UHFFFAOYSA-N -1 1 361.361 2.865 20 30 FFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C#N)c2)cc1 ZINC001191445254 1003833021 /nfs/dbraw/zinc/83/30/21/1003833021.db2.gz FBRBZXAPAVUSSJ-UHFFFAOYSA-N -1 1 360.391 2.544 20 30 FFEDMM N#Cc1cc(F)c(C(=O)Nc2ncc([O-])cc2Br)c(F)c1 ZINC001191907752 1003981966 /nfs/dbraw/zinc/98/19/66/1003981966.db2.gz SFNLVNWPQLMNPI-UHFFFAOYSA-N -1 1 354.110 2.952 20 30 FFEDMM N#Cc1ccc(-c2ccc(C(=O)Nc3[nH]c(=O)[n-]c(=O)c3N=O)o2)cc1 ZINC001197387191 1004187441 /nfs/dbraw/zinc/18/74/41/1004187441.db2.gz IGWQBRYGWFCPNX-UHFFFAOYSA-N -1 1 351.278 2.670 20 30 FFEDMM N#Cc1cccc([O-])c1NC(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC001192678349 1004235352 /nfs/dbraw/zinc/23/53/52/1004235352.db2.gz BTGDKNFEWADIPM-UHFFFAOYSA-N -1 1 356.357 2.884 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(Br)c1 ZINC001193150354 1004391012 /nfs/dbraw/zinc/39/10/12/1004391012.db2.gz WXAQENSBIHPEKC-LURJTMIESA-N -1 1 368.050 2.865 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OCC ZINC001193574141 1004515190 /nfs/dbraw/zinc/51/51/90/1004515190.db2.gz PRJMSMYCCFZGLM-QMMMGPOBSA-N -1 1 358.268 2.754 20 30 FFEDMM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC001195638717 1005004807 /nfs/dbraw/zinc/00/48/07/1005004807.db2.gz TYVZBFHHZGRTFE-UHFFFAOYSA-N -1 1 365.798 2.584 20 30 FFEDMM N#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Br)CC1 ZINC001201019546 1005155736 /nfs/dbraw/zinc/15/57/36/1005155736.db2.gz SFOOXMXTCMIMPN-MGCOHNPYSA-N -1 1 361.236 2.949 20 30 FFEDMM COC(=O)c1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201316917 1005198456 /nfs/dbraw/zinc/19/84/56/1005198456.db2.gz HUEYBRUESCKZRL-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM COC(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1)OC ZINC001201317555 1005198612 /nfs/dbraw/zinc/19/86/12/1005198612.db2.gz VGIQMKUJZZAVMD-UHFFFAOYSA-N -1 1 360.435 2.829 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3ccnc3)c2)cc1C#N ZINC001201317285 1005198628 /nfs/dbraw/zinc/19/86/28/1005198628.db2.gz OLMBZYYSQFCOHD-UHFFFAOYSA-N -1 1 352.419 2.912 20 30 FFEDMM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NNCCN1CCCCC1 ZINC000814808707 1006443649 /nfs/dbraw/zinc/44/36/49/1006443649.db2.gz RHTBXHSBARJUIA-KRWDZBQOSA-N -1 1 361.486 2.923 20 30 FFEDMM C=C[C@@H](CO)[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188199364 1006451350 /nfs/dbraw/zinc/45/13/50/1006451350.db2.gz GAHWTMKWHCGMOI-VIFPVBQESA-N -1 1 358.847 2.604 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1nc(Cl)ccc1C(F)(F)F ZINC001188773656 1006728390 /nfs/dbraw/zinc/72/83/90/1006728390.db2.gz MKVAHOXLSULJNA-UHFFFAOYSA-N -1 1 373.678 2.689 20 30 FFEDMM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189046428 1006868948 /nfs/dbraw/zinc/86/89/48/1006868948.db2.gz QKKDNSPWCQEESF-GFCCVEGCSA-N -1 1 367.215 2.944 20 30 FFEDMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1F ZINC001190575813 1007702233 /nfs/dbraw/zinc/70/22/33/1007702233.db2.gz CYXSAZBXZXFAIU-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC001135981964 1007712394 /nfs/dbraw/zinc/71/23/94/1007712394.db2.gz CNNYPMXXERCKBM-GOSISDBHSA-N -1 1 357.360 2.693 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccncc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001191264207 1007938214 /nfs/dbraw/zinc/93/82/14/1007938214.db2.gz FEGCCPFHZQKEEL-UHFFFAOYSA-N -1 1 354.366 2.680 20 30 FFEDMM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266154 1008615965 /nfs/dbraw/zinc/61/59/65/1008615965.db2.gz AYQCBCJYOMTZSA-SFHVURJKSA-N -1 1 368.380 2.591 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc([C@@H]3CCCC(=O)N3)c2)c1 ZINC000886485879 1008698238 /nfs/dbraw/zinc/69/82/38/1008698238.db2.gz HLHPJPZHKWVNTN-SFHVURJKSA-N -1 1 369.446 2.895 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C12CCC2 ZINC000862675835 1009925391 /nfs/dbraw/zinc/92/53/91/1009925391.db2.gz CCPSEJSBJAGJHO-INIZCTEOSA-N -1 1 371.437 2.926 20 30 FFEDMM COc1ccc(Cl)c(CC(=O)N([O-])C(=N)c2ccccc2N)c1F ZINC001181638415 1010175359 /nfs/dbraw/zinc/17/53/59/1010175359.db2.gz BXYDIGBQSXVFPL-UHFFFAOYSA-N -1 1 351.765 2.856 20 30 FFEDMM COc1ccc([C@@H](C)C(C)=NNc2nc(=O)c3cnn(C)c3[n-]2)cc1OC ZINC000794511867 1010190807 /nfs/dbraw/zinc/19/08/07/1010190807.db2.gz KSYRTRQAMSITEE-JTQLQIEISA-N -1 1 370.413 2.678 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc2c(c1)OCC(=O)N2 ZINC000794924198 1011002912 /nfs/dbraw/zinc/00/29/12/1011002912.db2.gz WNTLDONSAOTDLN-UHFFFAOYSA-N -1 1 355.350 2.560 20 30 FFEDMM C=CCC[C@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000868424775 1011291861 /nfs/dbraw/zinc/29/18/61/1011291861.db2.gz DYYJYEOAVOUFTH-INIZCTEOSA-N -1 1 368.437 2.762 20 30 FFEDMM C#CCN1CC[C@]2(CCCN(C(=O)c3ccc(Cl)cc3[O-])CC2)C1=O ZINC001274881594 1011725991 /nfs/dbraw/zinc/72/59/91/1011725991.db2.gz HSVRTRCSEDPTOC-LJQANCHMSA-N -1 1 360.841 2.524 20 30 FFEDMM CN1CCN(c2ccc(-c3noc(-c4cccc(C#N)c4[O-])n3)cc2)CC1 ZINC001216979741 1032577868 /nfs/dbraw/zinc/57/78/68/1032577868.db2.gz HSMZJIWMTDTBCP-UHFFFAOYSA-N -1 1 361.405 2.733 20 30 FFEDMM C=C(C)CN1CC[C@@]2(CCCN(C(=O)c3nc(C)ccc3[O-])CC2)C1=O ZINC001275033624 1011840056 /nfs/dbraw/zinc/84/00/56/1011840056.db2.gz SQUPJVGNOVEDMU-FQEVSTJZSA-N -1 1 357.454 2.517 20 30 FFEDMM [NH3+]CCC[N@H+](C[C@H]([S-])OP(=O)([O-])[O-])C1CCC2(CCCC2)CC1 ZINC001172728201 1011964930 /nfs/dbraw/zinc/96/49/30/1011964930.db2.gz DBLZINQPDUSGLT-AWEZNQCLSA-N -1 1 366.464 2.505 20 30 FFEDMM [NH3+]CCC[N@@H+](C[C@H]([S-])OP(=O)([O-])[O-])C1CCC2(CCCC2)CC1 ZINC001172728201 1011964939 /nfs/dbraw/zinc/96/49/39/1011964939.db2.gz DBLZINQPDUSGLT-AWEZNQCLSA-N -1 1 366.464 2.505 20 30 FFEDMM COc1ccc(-n2cc([O-])c(C(=O)OCc3cc(C#N)ccc3F)n2)cc1 ZINC000801364898 1018890458 /nfs/dbraw/zinc/89/04/58/1018890458.db2.gz IKFNKCBAKPVCRH-UHFFFAOYSA-N -1 1 367.336 2.954 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000801451550 1019005809 /nfs/dbraw/zinc/00/58/09/1019005809.db2.gz ZAIDSLJQBFFXAI-IBGZPJMESA-N -1 1 359.426 2.641 20 30 FFEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1 ZINC000901607391 1019252241 /nfs/dbraw/zinc/25/22/41/1019252241.db2.gz REBFUERDNRZQCB-UHFFFAOYSA-N -1 1 371.462 2.780 20 30 FFEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cnc(C2CC2)[n-]c1=O ZINC000900071340 1020170341 /nfs/dbraw/zinc/17/03/41/1020170341.db2.gz JUYGCLIPLDDQKT-UHFFFAOYSA-N -1 1 361.323 2.860 20 30 FFEDMM C=C(C)Cn1c(C(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000802553837 1020221120 /nfs/dbraw/zinc/22/11/20/1020221120.db2.gz VFPIUZNDRJXATP-UHFFFAOYSA-N -1 1 373.423 2.873 20 30 FFEDMM C=CCc1cc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc(OC)c1OC ZINC000900445369 1020423229 /nfs/dbraw/zinc/42/32/29/1020423229.db2.gz IIEARGOTHZVAOO-UHFFFAOYSA-N -1 1 369.421 2.735 20 30 FFEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC#N)c2)cc1 ZINC000490672689 1020465169 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354.458 2.986 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2cc(F)ccc2C1 ZINC001342186281 1050778582 /nfs/dbraw/zinc/77/85/82/1050778582.db2.gz TZYCIBONFNHMJI-UHFFFAOYSA-N -1 1 354.389 2.652 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001340539911 1050930414 /nfs/dbraw/zinc/93/04/14/1050930414.db2.gz PYECTDGBYKVNBD-SNVBAGLBSA-N -1 1 372.379 2.962 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC2(CC2(F)F)CC1 ZINC001340593993 1050979471 /nfs/dbraw/zinc/97/94/71/1050979471.db2.gz OKESJCOVYHQBTG-UHFFFAOYSA-N -1 1 355.780 2.528 20 30 FFEDMM C#CC1(NC(=O)c2cc(I)ccc2[O-])CCCC1 ZINC001303027558 1051256484 /nfs/dbraw/zinc/25/64/84/1051256484.db2.gz RGGKNAGPYYVACZ-UHFFFAOYSA-N -1 1 355.175 2.673 20 30 FFEDMM C=C[C@H](C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1)c1ccccc1 ZINC001347461365 1054006607 /nfs/dbraw/zinc/00/66/07/1054006607.db2.gz DFEIVJMKIIBEDA-INIZCTEOSA-N -1 1 368.437 2.657 20 30 FFEDMM Cc1ccc(O)c2c1[C@@H](C)CC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC001337299038 1054633450 /nfs/dbraw/zinc/63/34/50/1054633450.db2.gz YPJVXTCSRABKPJ-NSHDSACASA-N -1 1 355.419 2.651 20 30 FFEDMM Cc1c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ccc2cncn21 ZINC001348139831 1054687937 /nfs/dbraw/zinc/68/79/37/1054687937.db2.gz QERKHNQYRGZXSW-QGZVFWFLSA-N -1 1 366.808 2.935 20 30 FFEDMM C=C(CC(C)C)C(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC001348567222 1054796130 /nfs/dbraw/zinc/79/61/30/1054796130.db2.gz JAYSZJQTBQWDIQ-UHFFFAOYSA-N -1 1 356.426 2.867 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001356512194 1055548062 /nfs/dbraw/zinc/54/80/62/1055548062.db2.gz QHYYZXBFXZXPGY-UHFFFAOYSA-N -1 1 372.379 2.791 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCCO[C@@H](C)C1 ZINC001356598514 1055605564 /nfs/dbraw/zinc/60/55/64/1055605564.db2.gz CEYABAKJXWWNLR-LBPRGKRZSA-N -1 1 363.849 2.890 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001338710492 1055750330 /nfs/dbraw/zinc/75/03/30/1055750330.db2.gz XLTUNWBOJRUIPN-NEPJUHHUSA-N -1 1 372.498 2.834 20 30 FFEDMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001350727867 1055911875 /nfs/dbraw/zinc/91/18/75/1055911875.db2.gz NXWMFNVRAIESLN-UHFFFAOYSA-N -1 1 354.435 2.671 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001443556954 1058218193 /nfs/dbraw/zinc/21/81/93/1058218193.db2.gz YSDZHYHGSXCIFV-UHFFFAOYSA-N -1 1 364.449 2.704 20 30 FFEDMM C#C[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000848291625 1059616148 /nfs/dbraw/zinc/61/61/48/1059616148.db2.gz WSSUMYARXRYUGY-INIZCTEOSA-N -1 1 368.458 2.973 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N1CC[C@H](C)C1 ZINC001520360139 1059638381 /nfs/dbraw/zinc/63/83/81/1059638381.db2.gz BRQORGZDBAGNAT-ZDUSSCGKSA-N -1 1 363.425 2.535 20 30 FFEDMM CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001455022551 1059671801 /nfs/dbraw/zinc/67/18/01/1059671801.db2.gz MTDFLIXKVLMDFZ-SWLSCSKDSA-N -1 1 365.396 2.627 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2nc(C)cs2)C1 ZINC001515654009 1059733311 /nfs/dbraw/zinc/73/33/11/1059733311.db2.gz CIORVTJWBMLPER-LBPRGKRZSA-N -1 1 371.470 2.709 20 30 FFEDMM N#C[C@H](C(=O)COC(F)(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC001355936372 1060741900 /nfs/dbraw/zinc/74/19/00/1060741900.db2.gz URMFUVXHKATKFW-MRVPVSSYSA-N -1 1 371.340 2.988 20 30 FFEDMM CC1(C)CC([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC001475517494 1061121546 /nfs/dbraw/zinc/12/15/46/1061121546.db2.gz CCRDCMKVXGXXLF-UHFFFAOYSA-N -1 1 361.236 2.927 20 30 FFEDMM N#Cc1csc(C[N-]C(=O)C(F)(F)c2ncccc2Br)n1 ZINC001439707736 1063209530 /nfs/dbraw/zinc/20/95/30/1063209530.db2.gz HOAICQGUJPXPHC-UHFFFAOYSA-N -1 1 373.182 2.580 20 30 FFEDMM CC(C)C#CC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001471249833 1064613036 /nfs/dbraw/zinc/61/30/36/1064613036.db2.gz FEXFNZJKBHFMTO-CYBMUJFWSA-N -1 1 352.356 2.845 20 30 FFEDMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1cccc(C#N)c1 ZINC001580310835 1078785149 /nfs/dbraw/zinc/78/51/49/1078785149.db2.gz RFJCAWWTQMXEKP-SECBINFHSA-N -1 1 354.757 2.705 20 30 FFEDMM Cc1cc(C#N)cc(C)c1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001580768541 1078857704 /nfs/dbraw/zinc/85/77/04/1078857704.db2.gz AFQZNLHRNBPNOO-UHFFFAOYSA-N -1 1 356.389 2.718 20 30 FFEDMM N#Cc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)cnc1-c1nnn[n-]1 ZINC001581879590 1079011891 /nfs/dbraw/zinc/01/18/91/1079011891.db2.gz QHFRNDAYCYAUIF-ZDUSSCGKSA-N -1 1 352.789 2.523 20 30 FFEDMM N#Cc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)cnc1-c1nn[n-]n1 ZINC001581879590 1079011900 /nfs/dbraw/zinc/01/19/00/1079011900.db2.gz QHFRNDAYCYAUIF-ZDUSSCGKSA-N -1 1 352.789 2.523 20 30 FFEDMM CCOC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC001558398049 1075998093 /nfs/dbraw/zinc/99/80/93/1075998093.db2.gz VAYNDCOCMYUOCQ-INIZCTEOSA-N -1 1 374.343 2.966 20 30 FFEDMM N#Cc1ccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001559375522 1076153983 /nfs/dbraw/zinc/15/39/83/1076153983.db2.gz XROVYTUQLAHVJO-UHFFFAOYSA-N -1 1 359.338 2.654 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C#N)c1cc(C)cc(C)c1 ZINC001561497781 1076385065 /nfs/dbraw/zinc/38/50/65/1076385065.db2.gz CROFHLHZFOABDV-SFHVURJKSA-N -1 1 372.446 2.676 20 30 FFEDMM O=S(=O)([N-][C@@H]1C[C@H]1C(F)(F)F)c1c(F)cccc1OC(F)(F)F ZINC001561858850 1076435325 /nfs/dbraw/zinc/43/53/25/1076435325.db2.gz XIEDVPLKTPKWCI-IYSWYEEDSA-N -1 1 367.242 2.953 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001567920059 1077059979 /nfs/dbraw/zinc/05/99/79/1077059979.db2.gz UPIMGBCVUBVSLK-NSHDSACASA-N -1 1 364.373 2.517 20 30 FFEDMM C=CCn1nc(C)c(-c2cc(C(=O)N(CC(=O)[O-])C3CCCC3)n[nH]2)c1C ZINC001573378972 1077687958 /nfs/dbraw/zinc/68/79/58/1077687958.db2.gz ONQPLUXIVHWOGG-UHFFFAOYSA-N -1 1 371.441 2.545 20 30 FFEDMM C#CCC1(NC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCCCC1 ZINC001588334664 1079988915 /nfs/dbraw/zinc/98/89/15/1079988915.db2.gz FOVVNJODYUWWSA-UHFFFAOYSA-N -1 1 365.850 2.824 20 30 FFEDMM C=C(C)C(C)(C)C(=O)NCC[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588397122 1080008626 /nfs/dbraw/zinc/00/86/26/1080008626.db2.gz WNBHNUTVTBYWJM-JTQLQIEISA-N -1 1 363.491 2.541 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@@H](C)C[C@H]1C ZINC001588438211 1080029191 /nfs/dbraw/zinc/02/91/91/1080029191.db2.gz NMCYCZIWSXDSPS-NWDGAFQWSA-N -1 1 354.418 2.529 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@@H](C)C[C@H]1C ZINC001588438211 1080029200 /nfs/dbraw/zinc/02/92/00/1080029200.db2.gz NMCYCZIWSXDSPS-NWDGAFQWSA-N -1 1 354.418 2.529 20 30 FFEDMM C=C(C)Cn1c(-c2[nH]cnc2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588576960 1080105189 /nfs/dbraw/zinc/10/51/89/1080105189.db2.gz IXXCYFKZFJYECN-AWEZNQCLSA-N -1 1 358.446 2.634 20 30 FFEDMM C=CCCCC(=O)N[C@H](C)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588585969 1080110207 /nfs/dbraw/zinc/11/02/07/1080110207.db2.gz AKIBUZNBEZCZRO-BDAKNGLRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCCCCCn1c(C)c(Br)cc(-c2nn[n-]n2)c1=O ZINC001588595927 1080117131 /nfs/dbraw/zinc/11/71/31/1080117131.db2.gz ALKIGIYIBKGEOC-UHFFFAOYSA-N -1 1 352.236 2.846 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)Nc1nc2cc(Br)c(F)cc2[nH]1 ZINC001588632935 1080129484 /nfs/dbraw/zinc/12/94/84/1080129484.db2.gz FQHDMIAOBIMZSO-UHFFFAOYSA-N -1 1 356.151 2.824 20 30 FFEDMM C=CC[C@H](C(=O)[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001588727878 1080173808 /nfs/dbraw/zinc/17/38/08/1080173808.db2.gz AEUBNMWVCFNFPR-CYBMUJFWSA-N -1 1 357.237 2.781 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(F)c(N)c(F)c2)o1 ZINC001588781085 1080192928 /nfs/dbraw/zinc/19/29/28/1080192928.db2.gz CMCHUWTXHITHSF-UHFFFAOYSA-N -1 1 362.344 2.675 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2nc(-c3ccccc3)c[nH]2)o1 ZINC001589773707 1080728865 /nfs/dbraw/zinc/72/88/65/1080728865.db2.gz JVSDGIGNQCJSPV-UHFFFAOYSA-N -1 1 363.385 2.814 20 30 FFEDMM C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nn[n-]n4)o3)sc2C1 ZINC001590279790 1081136896 /nfs/dbraw/zinc/13/68/96/1081136896.db2.gz NREPZAMHJIUCBB-QMMMGPOBSA-N -1 1 354.395 2.770 20 30 FFEDMM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[nH]1 ZINC000276912257 256141654 /nfs/dbraw/zinc/14/16/54/256141654.db2.gz JZCGDROSLXOREN-RKDXNWHRSA-N -1 1 369.397 2.508 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)ccc1C#N ZINC000277704681 256229450 /nfs/dbraw/zinc/22/94/50/256229450.db2.gz WBWRFCOEMLDCCC-UHFFFAOYSA-N -1 1 369.446 2.790 20 30 FFEDMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1)C(C)=O ZINC000032627032 506271383 /nfs/dbraw/zinc/27/13/83/506271383.db2.gz YELKAUFPGHCTOK-UHFFFAOYSA-N -1 1 357.435 2.727 20 30 FFEDMM N#Cc1ccc(N2CCC(NC(=O)c3cc(Cl)ccc3[O-])CC2)nc1 ZINC000066526877 506546230 /nfs/dbraw/zinc/54/62/30/506546230.db2.gz QORMZHMKSDHAGJ-UHFFFAOYSA-N -1 1 356.813 2.711 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000066587703 506564225 /nfs/dbraw/zinc/56/42/25/506564225.db2.gz ZKLZRFLMYFIWTB-UHFFFAOYSA-N -1 1 360.391 2.877 20 30 FFEDMM CO[C@@H](C)c1nc(=NC2CCC(Oc3ccc(C#N)cn3)CC2)s[n-]1 ZINC000369213759 512286130 /nfs/dbraw/zinc/28/61/30/512286130.db2.gz IJCZIKFZJTXNPJ-XGNXJENSSA-N -1 1 359.455 2.736 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000044857813 506892640 /nfs/dbraw/zinc/89/26/40/506892640.db2.gz OTUZWJBRCNYVRT-QGZVFWFLSA-N -1 1 358.419 2.917 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)(C)C)nn2C)n1 ZINC000067894049 507044629 /nfs/dbraw/zinc/04/46/29/507044629.db2.gz VZRVKNIWWVCCOA-JTQLQIEISA-N -1 1 360.439 2.841 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCC2)cc1 ZINC000063476994 507736775 /nfs/dbraw/zinc/73/67/75/507736775.db2.gz BSDQXNHYLQHGNC-UHFFFAOYSA-N -1 1 369.446 2.972 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CC#N)c2)c1 ZINC000064346332 507791921 /nfs/dbraw/zinc/79/19/21/507791921.db2.gz AIYLPGWVCFJVEF-AWEZNQCLSA-N -1 1 357.435 2.828 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094079852 508166942 /nfs/dbraw/zinc/16/69/42/508166942.db2.gz SRNLOTFZJPVZGL-CYBMUJFWSA-N -1 1 359.332 2.955 20 30 FFEDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C#N)C(C)C)cc1 ZINC000081690169 508204919 /nfs/dbraw/zinc/20/49/19/508204919.db2.gz LFQWNMSZMQIKMG-AWEZNQCLSA-N -1 1 359.455 2.671 20 30 FFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)CC#N)cc1 ZINC000101515792 508241916 /nfs/dbraw/zinc/24/19/16/508241916.db2.gz OWLWCOVRHRDWCQ-UHFFFAOYSA-N -1 1 361.398 2.531 20 30 FFEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000076946990 508265722 /nfs/dbraw/zinc/26/57/22/508265722.db2.gz HULLEPSRFXTYKE-NSHDSACASA-N -1 1 353.304 2.737 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000114673599 508335632 /nfs/dbraw/zinc/33/56/32/508335632.db2.gz YXZRULGPRNSOJW-UHFFFAOYSA-N -1 1 352.419 2.912 20 30 FFEDMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)ccc2NC1=O ZINC000088537923 508375323 /nfs/dbraw/zinc/37/53/23/508375323.db2.gz NUVCBCIFCXUTND-UHFFFAOYSA-N -1 1 359.382 2.728 20 30 FFEDMM CCc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1 ZINC000156496176 508429056 /nfs/dbraw/zinc/42/90/56/508429056.db2.gz NDAZGOKHTMTQFY-UHFFFAOYSA-N -1 1 351.409 2.569 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(Cl)n(C)nc2-c2ccccc2)c(=O)o1 ZINC000115961844 508458322 /nfs/dbraw/zinc/45/83/22/508458322.db2.gz UJBZDAKIPGGOOP-ROJDOSBLSA-N -1 1 370.792 2.969 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1OC ZINC000135368388 508595281 /nfs/dbraw/zinc/59/52/81/508595281.db2.gz VTYRXOOGKXNJBJ-UHFFFAOYSA-N -1 1 354.334 2.654 20 30 FFEDMM C=CCCCCCN(C)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000128730898 508636219 /nfs/dbraw/zinc/63/62/19/508636219.db2.gz RFAOUVJLDWTOMF-UHFFFAOYSA-N -1 1 354.454 2.888 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c(C(F)(F)F)c1 ZINC000130756833 508842050 /nfs/dbraw/zinc/84/20/50/508842050.db2.gz AIIACLWHCVNDEH-UHFFFAOYSA-N -1 1 367.312 2.649 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000179028761 509231860 /nfs/dbraw/zinc/23/18/60/509231860.db2.gz ZGPMBBBCPGLKMI-UHFFFAOYSA-N -1 1 355.419 2.897 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C#N)C(C)(C)C ZINC000268045400 509733073 /nfs/dbraw/zinc/73/30/73/509733073.db2.gz ZLTPQXYEFBNKRR-HNNXBMFYSA-N -1 1 353.426 2.540 20 30 FFEDMM CSc1nnc(CCCNC(=O)c2ccc(C#N)c([O-])c2)n1CC(C)C ZINC000189901647 509818680 /nfs/dbraw/zinc/81/86/80/509818680.db2.gz CNNHIMSRHQSGDN-UHFFFAOYSA-N -1 1 373.482 2.596 20 30 FFEDMM CCN(CCC#N)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000268649300 510053707 /nfs/dbraw/zinc/05/37/07/510053707.db2.gz RDKPJTZCNQGYBV-UHFFFAOYSA-N -1 1 359.304 2.879 20 30 FFEDMM N#CCCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000171713725 510326365 /nfs/dbraw/zinc/32/63/65/510326365.db2.gz ISXYGUDPKWSUFZ-UHFFFAOYSA-N -1 1 353.188 2.699 20 30 FFEDMM CCc1noc(-c2ccc(CCNC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC000188154220 510622251 /nfs/dbraw/zinc/62/22/51/510622251.db2.gz DIWOIVISJBCMMJ-UHFFFAOYSA-N -1 1 362.389 2.849 20 30 FFEDMM CC#CCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000185006884 510630586 /nfs/dbraw/zinc/63/05/86/510630586.db2.gz HEFLCXOOYWTZOP-UHFFFAOYSA-N -1 1 352.456 2.555 20 30 FFEDMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188240925 510665644 /nfs/dbraw/zinc/66/56/44/510665644.db2.gz GLPWHCBQZUROLW-UHFFFAOYSA-N -1 1 351.406 2.628 20 30 FFEDMM N#Cc1ccc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cc1[O-] ZINC000188411308 510753395 /nfs/dbraw/zinc/75/33/95/510753395.db2.gz AMTZTHDGTKNQPV-UHFFFAOYSA-N -1 1 368.780 2.940 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1noc(Cc2ccccc2)n1 ZINC000178846978 510801004 /nfs/dbraw/zinc/80/10/04/510801004.db2.gz PVMPWDALHVGIEL-CYBMUJFWSA-N -1 1 368.418 2.572 20 30 FFEDMM N#Cc1ccc(C(=O)NCCC2CCN(CC(F)(F)F)CC2)cc1[O-] ZINC000188614307 510843613 /nfs/dbraw/zinc/84/36/13/510843613.db2.gz GTDPZPUDDLXRFH-UHFFFAOYSA-N -1 1 355.360 2.658 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1[O-] ZINC000188614053 510843656 /nfs/dbraw/zinc/84/36/56/510843656.db2.gz BMGNEPWMAPBBAL-OAHLLOKOSA-N -1 1 363.417 2.546 20 30 FFEDMM COc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1C(=O)[O-] ZINC000326920671 511866315 /nfs/dbraw/zinc/86/63/15/511866315.db2.gz SVBPDNJIWJVECM-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000328431198 511888077 /nfs/dbraw/zinc/88/80/77/511888077.db2.gz VATPWVHLIKCRFX-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM CO[C@@](C)(C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1CC1 ZINC000329661356 512083611 /nfs/dbraw/zinc/08/36/11/512083611.db2.gz OKKMBZZYJJWZJF-QGZVFWFLSA-N -1 1 368.455 2.580 20 30 FFEDMM Cc1ccc2c([O-])c(C(=O)NCc3c4c(nn3C)CCCC4)cnc2n1 ZINC000329732409 512092041 /nfs/dbraw/zinc/09/20/41/512092041.db2.gz IUTRZXASNFODSF-UHFFFAOYSA-N -1 1 351.410 2.761 20 30 FFEDMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1c3c(nn1C)CCCC3)c2=O ZINC000329732409 512092044 /nfs/dbraw/zinc/09/20/44/512092044.db2.gz IUTRZXASNFODSF-UHFFFAOYSA-N -1 1 351.410 2.761 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N2CCc3c2cccc3C#N)c(=O)[n-]1 ZINC000421653233 513354640 /nfs/dbraw/zinc/35/46/40/513354640.db2.gz XNCBXFVHJYSUJK-UHFFFAOYSA-N -1 1 354.435 2.606 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)ccc1C#N ZINC000435725059 513669505 /nfs/dbraw/zinc/66/95/05/513669505.db2.gz YVCZWHODURHPFE-UHFFFAOYSA-N -1 1 357.435 2.678 20 30 FFEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(C)c1 ZINC000435758903 513679118 /nfs/dbraw/zinc/67/91/18/513679118.db2.gz ICHZGMPEZZWEII-UHFFFAOYSA-N -1 1 357.435 2.726 20 30 FFEDMM CCc1[n-][nH]c(=NC(=O)C2(c3ccc(C#N)cc3)CC2)c1Br ZINC000448320516 513733725 /nfs/dbraw/zinc/73/37/25/513733725.db2.gz VHKTYCFHRBBGLV-UHFFFAOYSA-N -1 1 359.227 2.698 20 30 FFEDMM COc1cc(CC2CN(C(=O)c3ccc(C#N)c([O-])c3)C2)cc(OC)c1 ZINC000443266466 513915432 /nfs/dbraw/zinc/91/54/32/513915432.db2.gz CFNCCMUFFABCTP-UHFFFAOYSA-N -1 1 352.390 2.596 20 30 FFEDMM CCN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000426519532 513968369 /nfs/dbraw/zinc/96/83/69/513968369.db2.gz AVAZCTHFROEAKZ-UHFFFAOYSA-N -1 1 357.435 2.863 20 30 FFEDMM CCOc1cc(-c2noc([C@H](C)n3cnc(C#N)n3)n2)cc(Cl)c1[O-] ZINC000436876776 514017609 /nfs/dbraw/zinc/01/76/09/514017609.db2.gz KMAHLBVXZNUVHS-QMMMGPOBSA-N -1 1 360.761 2.567 20 30 FFEDMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427098959 514115471 /nfs/dbraw/zinc/11/54/71/514115471.db2.gz DNNBJMOQOBONPT-UHFFFAOYSA-N -1 1 366.395 2.918 20 30 FFEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)no1 ZINC000427212241 514150547 /nfs/dbraw/zinc/15/05/47/514150547.db2.gz KBAXWSFYUZZIFS-UHFFFAOYSA-N -1 1 358.354 2.857 20 30 FFEDMM CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)n[nH]1 ZINC000489206011 514752837 /nfs/dbraw/zinc/75/28/37/514752837.db2.gz ODEGCILXVUSQQF-IUCAKERBSA-N -1 1 360.443 2.503 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)cc(C)c1C ZINC000475794296 514812117 /nfs/dbraw/zinc/81/21/17/514812117.db2.gz TVQRCSIGPOVMLO-UHFFFAOYSA-N -1 1 358.419 2.957 20 30 FFEDMM N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000476337990 515008365 /nfs/dbraw/zinc/00/83/65/515008365.db2.gz LRFMZQMYIBRMRW-INIZCTEOSA-N -1 1 353.353 2.533 20 30 FFEDMM C[C@H]1CCCN1S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000471964522 515071089 /nfs/dbraw/zinc/07/10/89/515071089.db2.gz OINSJEOEDFJQDW-NSHDSACASA-N -1 1 365.846 2.538 20 30 FFEDMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000467694450 515082886 /nfs/dbraw/zinc/08/28/86/515082886.db2.gz FRIBLIICFZVBCQ-MRXNPFEDSA-N -1 1 372.808 2.821 20 30 FFEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000477250400 515384786 /nfs/dbraw/zinc/38/47/86/515384786.db2.gz OYXWPFFUZTZDLD-UHFFFAOYSA-N -1 1 359.407 2.910 20 30 FFEDMM C[C@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1cccc(C#N)c1 ZINC000486853684 515661673 /nfs/dbraw/zinc/66/16/73/515661673.db2.gz IKMSAKJYWMGASD-NSHDSACASA-N -1 1 361.398 2.811 20 30 FFEDMM COC(=O)c1cc(F)cc([N-]C(=O)c2ncc(C#N)cc2Cl)c1F ZINC000478065950 515689338 /nfs/dbraw/zinc/68/93/38/515689338.db2.gz WYWXQOFTFWVPFM-UHFFFAOYSA-N -1 1 351.696 2.924 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1NC(=O)N(C)C ZINC000478676402 515918778 /nfs/dbraw/zinc/91/87/78/515918778.db2.gz PPAWRUCCALHAFS-UHFFFAOYSA-N -1 1 372.450 2.955 20 30 FFEDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000506640452 515941492 /nfs/dbraw/zinc/94/14/92/515941492.db2.gz ZIVYBVYPGJPWTN-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM C=C[C@H]1CCCCN1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000488256965 516179064 /nfs/dbraw/zinc/17/90/64/516179064.db2.gz QLCKEWSNKKGPLU-ZDUSSCGKSA-N -1 1 353.444 2.639 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C#N)CCC3)c2)c1 ZINC000501904225 516262033 /nfs/dbraw/zinc/26/20/33/516262033.db2.gz DUJSHYNYXQRAPP-UHFFFAOYSA-N -1 1 369.446 2.972 20 30 FFEDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000557872391 516482475 /nfs/dbraw/zinc/48/24/75/516482475.db2.gz NXBDCIGYDTXUDG-FVMDXXJSSA-N -1 1 350.346 2.637 20 30 FFEDMM C=CCCC[C@H](C)NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000538354415 517582246 /nfs/dbraw/zinc/58/22/46/517582246.db2.gz XABVDSAJXHJIFP-LBPRGKRZSA-N -1 1 355.460 2.933 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1[O-] ZINC000527495815 517709637 /nfs/dbraw/zinc/70/96/37/517709637.db2.gz GEMWLJSCLWLKBK-QGZVFWFLSA-N -1 1 367.449 2.519 20 30 FFEDMM C[C@H](NC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C1CC1 ZINC000581642138 518383959 /nfs/dbraw/zinc/38/39/59/518383959.db2.gz IDAHWOWFLCEKSD-CABZTGNLSA-N -1 1 356.451 2.798 20 30 FFEDMM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000581749283 518437359 /nfs/dbraw/zinc/43/73/59/518437359.db2.gz MWVVQJRMLZLBSF-SNVBAGLBSA-N -1 1 354.325 2.941 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)c(Cl)c1 ZINC000564811034 518627172 /nfs/dbraw/zinc/62/71/72/518627172.db2.gz GVJSSALUTZFVHE-LLVKDONJSA-N -1 1 366.830 2.630 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)c1 ZINC000588094415 518722157 /nfs/dbraw/zinc/72/21/57/518722157.db2.gz MMBPZBWHQMYNHE-UHFFFAOYSA-N -1 1 359.332 2.631 20 30 FFEDMM N#CCc1ccnc([N-]S(=O)(=O)Cc2ccccc2Br)c1 ZINC000570882002 518823302 /nfs/dbraw/zinc/82/33/02/518823302.db2.gz YLGKLSXNUVPDTJ-UHFFFAOYSA-N -1 1 366.240 2.852 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c1 ZINC000589174415 518940668 /nfs/dbraw/zinc/94/06/68/518940668.db2.gz ITHXPNAZSCQKKJ-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(O[C@@H]2CCOC2)c1 ZINC000589190718 518946420 /nfs/dbraw/zinc/94/64/20/518946420.db2.gz LJQGLYWKAGTYAH-GOSISDBHSA-N -1 1 352.390 2.670 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCCOCCOCc2ccccc2)c1 ZINC000589199284 518949188 /nfs/dbraw/zinc/94/91/88/518949188.db2.gz ACADCCJQDCBFEM-UHFFFAOYSA-N -1 1 354.406 2.617 20 30 FFEDMM CCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1Oc1ccccc1 ZINC000589207870 518950971 /nfs/dbraw/zinc/95/09/71/518950971.db2.gz VKLLEUOFDUVZGO-QRVBRYPASA-N -1 1 352.390 2.619 20 30 FFEDMM CC#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000568554693 519097702 /nfs/dbraw/zinc/09/77/02/519097702.db2.gz LSDPGZHTIGWZKV-UHFFFAOYSA-N -1 1 372.446 2.591 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000589962018 519113318 /nfs/dbraw/zinc/11/33/18/519113318.db2.gz XVTVNWWFMROGBH-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#CC(=C([O-])c1cc[nH]c1C1CCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000568634993 519140357 /nfs/dbraw/zinc/14/03/57/519140357.db2.gz NAOVWNJUZSHBFR-HNNXBMFYSA-N -1 1 373.420 2.535 20 30 FFEDMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cccc(CC#N)c2)n[n-]1 ZINC000581050281 519495169 /nfs/dbraw/zinc/49/51/69/519495169.db2.gz PQJKJVWXZNRLGZ-HNNXBMFYSA-N -1 1 369.425 2.565 20 30 FFEDMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cccc(CC#N)c2)[n-]1 ZINC000581050281 519495175 /nfs/dbraw/zinc/49/51/75/519495175.db2.gz PQJKJVWXZNRLGZ-HNNXBMFYSA-N -1 1 369.425 2.565 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cccc(CC#N)c2)n1 ZINC000581050281 519495180 /nfs/dbraw/zinc/49/51/80/519495180.db2.gz PQJKJVWXZNRLGZ-HNNXBMFYSA-N -1 1 369.425 2.565 20 30 FFEDMM C[C@]1(C#N)CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000612397378 519937503 /nfs/dbraw/zinc/93/75/03/519937503.db2.gz KCXOSIRRRLTPBM-CQSZACIVSA-N -1 1 370.190 2.763 20 30 FFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CC1(C#N)CCCCC1 ZINC000597470374 520047889 /nfs/dbraw/zinc/04/78/89/520047889.db2.gz DPJDEIVMQCMZIY-UHFFFAOYSA-N -1 1 353.419 3.000 20 30 FFEDMM C=CCC[C@H](C(=O)N[C@@H](C)c1n[n-]c(C(=O)OCC)n1)c1ccccc1 ZINC000603156055 520118921 /nfs/dbraw/zinc/11/89/21/520118921.db2.gz PVIYJVWLWMJEQW-ZFWWWQNUSA-N -1 1 356.426 2.909 20 30 FFEDMM C=CCC[C@H](C(=O)N[C@@H](C)c1nnc(C(=O)OCC)[n-]1)c1ccccc1 ZINC000603156055 520118929 /nfs/dbraw/zinc/11/89/29/520118929.db2.gz PVIYJVWLWMJEQW-ZFWWWQNUSA-N -1 1 356.426 2.909 20 30 FFEDMM C=CCC[C@H](C(=O)N[C@@H](C)c1nc(C(=O)OCC)n[n-]1)c1ccccc1 ZINC000603156055 520118935 /nfs/dbraw/zinc/11/89/35/520118935.db2.gz PVIYJVWLWMJEQW-ZFWWWQNUSA-N -1 1 356.426 2.909 20 30 FFEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1)C(C)C ZINC000592352219 520346133 /nfs/dbraw/zinc/34/61/33/520346133.db2.gz RTEVFJFQSJDXLP-ZDUSSCGKSA-N -1 1 350.362 2.990 20 30 FFEDMM COc1cc([C@@H](C#N)NC(=O)c2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000613501603 520531477 /nfs/dbraw/zinc/53/14/77/520531477.db2.gz KAMOKGVFQBLAQH-CYBMUJFWSA-N -1 1 360.341 2.552 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000610123719 520549203 /nfs/dbraw/zinc/54/92/03/520549203.db2.gz PHKCUXSRKLOUTM-UHFFFAOYSA-N -1 1 352.419 2.912 20 30 FFEDMM N#Cc1ccc(CN2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000600946719 520552925 /nfs/dbraw/zinc/55/29/25/520552925.db2.gz WVIOGMSRTGWFRB-UHFFFAOYSA-N -1 1 369.852 2.804 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 ZINC000614295586 520894873 /nfs/dbraw/zinc/89/48/73/520894873.db2.gz XOXBATGISOPXLV-KRWDZBQOSA-N -1 1 351.362 2.634 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c1 ZINC000614297942 520897503 /nfs/dbraw/zinc/89/75/03/520897503.db2.gz RWQRNMJZCOGXIL-CQSZACIVSA-N -1 1 373.359 2.874 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCC2CCN(CC(F)(F)F)CC2)c1 ZINC000614370855 520930463 /nfs/dbraw/zinc/93/04/63/520930463.db2.gz BIILHDRMWRFMPP-UHFFFAOYSA-N -1 1 355.360 2.658 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc3n2[C@H](C)CCC3)n1 ZINC000593456805 521005827 /nfs/dbraw/zinc/00/58/27/521005827.db2.gz JBQVXXMSWLATKB-MNOVXSKESA-N -1 1 358.423 2.904 20 30 FFEDMM COc1cc2[n-]cc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)c(=O)c2c(OC)c1 ZINC000599527897 521279217 /nfs/dbraw/zinc/27/92/17/521279217.db2.gz WLNIZAAZHPMRDK-YUNKPMOVSA-N -1 1 369.421 2.748 20 30 FFEDMM COc1cc2c(cc1OC)CCN(C(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000615468792 521415410 /nfs/dbraw/zinc/41/54/10/521415410.db2.gz MOXVOLUWPYNYOX-UHFFFAOYSA-N -1 1 352.390 2.522 20 30 FFEDMM COC(=O)c1nc([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)sc1C ZINC000619421151 521559831 /nfs/dbraw/zinc/55/98/31/521559831.db2.gz SSFZYOLVVSOPKY-CQSZACIVSA-N -1 1 371.418 2.793 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000619732951 521842920 /nfs/dbraw/zinc/84/29/20/521842920.db2.gz MWIJFMJBUCBGSJ-IBGZPJMESA-N -1 1 359.385 2.597 20 30 FFEDMM CCCCCCCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736447817 598267035 /nfs/dbraw/zinc/26/70/35/598267035.db2.gz IFHTZKMZVCJOCS-UHFFFAOYSA-N -1 1 366.491 2.633 20 30 FFEDMM CCCCCCCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736447817 598267036 /nfs/dbraw/zinc/26/70/36/598267036.db2.gz IFHTZKMZVCJOCS-UHFFFAOYSA-N -1 1 366.491 2.633 20 30 FFEDMM CCc1ccc(-c2ccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)o2)cc1 ZINC000821476092 599313653 /nfs/dbraw/zinc/31/36/53/599313653.db2.gz GYHRGAHNOQLXQK-UHFFFAOYSA-N -1 1 374.364 2.536 20 30 FFEDMM Fc1ccc(NN=Cc2ccc(-c3nnn[n-]3)o2)c(Br)c1 ZINC000822782689 599335760 /nfs/dbraw/zinc/33/57/60/599335760.db2.gz AYLJAOKKWQDHDL-UHFFFAOYSA-N -1 1 351.139 2.807 20 30 FFEDMM Fc1ccc(NN=Cc2ccc(-c3nn[n-]n3)o2)c(Br)c1 ZINC000822782689 599335762 /nfs/dbraw/zinc/33/57/62/599335762.db2.gz AYLJAOKKWQDHDL-UHFFFAOYSA-N -1 1 351.139 2.807 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1C ZINC000738608152 600301155 /nfs/dbraw/zinc/30/11/55/600301155.db2.gz DHYQIOFBFDBQOZ-GOSISDBHSA-N -1 1 369.465 2.737 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN(C)C[C@@H](C)C(=O)[O-])ccc1Cl ZINC000738409630 600364129 /nfs/dbraw/zinc/36/41/29/600364129.db2.gz YAOCESIQUFKXEX-CYBMUJFWSA-N -1 1 351.834 2.548 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736282113 600564913 /nfs/dbraw/zinc/56/49/13/600564913.db2.gz QWIJOGDLPCDXIV-HOTGVXAUSA-N -1 1 359.426 2.673 20 30 FFEDMM N#CCSCCCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000833068427 600820211 /nfs/dbraw/zinc/82/02/11/600820211.db2.gz YUMYVPYHJQVVCB-MRXNPFEDSA-N -1 1 367.902 2.730 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000827217372 601173002 /nfs/dbraw/zinc/17/30/02/601173002.db2.gz CLQCIMQJJFTJCM-KPZWWZAWSA-N -1 1 361.467 2.862 20 30 FFEDMM COc1cccc(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832563072 601309456 /nfs/dbraw/zinc/30/94/56/601309456.db2.gz VBONMLZHGDNBHP-IBGZPJMESA-N -1 1 351.406 2.515 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000827217718 601509020 /nfs/dbraw/zinc/50/90/20/601509020.db2.gz IMHCGIHHVXBIJO-MGPQQGTHSA-N -1 1 361.467 2.672 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000747409001 601828924 /nfs/dbraw/zinc/82/89/24/601828924.db2.gz LHHZPHZQFOHYDY-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM CN(Cc1cc(Br)cn1C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830806310 602248615 /nfs/dbraw/zinc/24/86/15/602248615.db2.gz KZWWNAWKZUTJMA-OAHLLOKOSA-N -1 1 362.227 2.917 20 30 FFEDMM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCC1 ZINC000740304577 602670794 /nfs/dbraw/zinc/67/07/94/602670794.db2.gz WKQMREBDVIYUND-CVEARBPZSA-N -1 1 357.410 2.543 20 30 FFEDMM N#Cc1cccc(-c2nnc(CN(C3CC3)C3CCN(C(=O)[O-])CC3)o2)c1 ZINC000831146513 603558595 /nfs/dbraw/zinc/55/85/95/603558595.db2.gz RZMOQRGENGEZJB-UHFFFAOYSA-N -1 1 367.409 2.715 20 30 FFEDMM Cc1cc(C(C#N)C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])nc(C)n1 ZINC000829980530 604219182 /nfs/dbraw/zinc/21/91/82/604219182.db2.gz PCQAQBBOLQDZRP-HOTGVXAUSA-N -1 1 352.394 2.539 20 30 FFEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833462640 605058275 /nfs/dbraw/zinc/05/82/75/605058275.db2.gz GONJAXBKEQPAOF-UHFFFAOYSA-N -1 1 364.361 2.929 20 30 FFEDMM N#Cc1cccc(OCCCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000822837935 606867226 /nfs/dbraw/zinc/86/72/26/606867226.db2.gz ZJLKOVMLWUMURE-UHFFFAOYSA-N -1 1 372.388 2.522 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)cc2C)o1 ZINC000822424491 607036853 /nfs/dbraw/zinc/03/68/53/607036853.db2.gz WFLKDYDVPNZYCS-UHFFFAOYSA-N -1 1 362.191 2.680 20 30 FFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000826190653 608092502 /nfs/dbraw/zinc/09/25/02/608092502.db2.gz IINUYVXTRJUYHU-RQOWECAXSA-N -1 1 357.351 2.741 20 30 FFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000826190653 608092503 /nfs/dbraw/zinc/09/25/03/608092503.db2.gz IINUYVXTRJUYHU-RQOWECAXSA-N -1 1 357.351 2.741 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3c2cccc3Br)o1 ZINC000826323136 608290569 /nfs/dbraw/zinc/29/05/69/608290569.db2.gz RLVQTQQBSLYJMW-UHFFFAOYSA-N -1 1 374.202 2.688 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC000826178779 608883142 /nfs/dbraw/zinc/88/31/42/608883142.db2.gz MGNFZGFJEUENOA-HYXAFXHYSA-N -1 1 357.351 2.741 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC000826178779 608883143 /nfs/dbraw/zinc/88/31/43/608883143.db2.gz MGNFZGFJEUENOA-HYXAFXHYSA-N -1 1 357.351 2.741 20 30 FFEDMM CCOC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1C#N ZINC000825553465 609490855 /nfs/dbraw/zinc/49/08/55/609490855.db2.gz QSJHYYZDHGRGPG-UHFFFAOYSA-N -1 1 353.342 2.512 20 30 FFEDMM CCOC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1C#N ZINC000825553465 609490857 /nfs/dbraw/zinc/49/08/57/609490857.db2.gz QSJHYYZDHGRGPG-UHFFFAOYSA-N -1 1 353.342 2.512 20 30 FFEDMM C#C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000744182129 735337482 /nfs/dbraw/zinc/33/74/82/735337482.db2.gz LPTOKEWABLCZOJ-CYBMUJFWSA-N -1 1 359.403 2.675 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(C#N)cc1F ZINC000744568106 735364454 /nfs/dbraw/zinc/36/44/54/735364454.db2.gz YWWCISFWBHSKOX-UHFFFAOYSA-N -1 1 362.382 2.816 20 30 FFEDMM C=CCNc1nc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cs1 ZINC000010134109 727804145 /nfs/dbraw/zinc/80/41/45/727804145.db2.gz QWAJBZYRFJTUQC-UHFFFAOYSA-N -1 1 358.375 2.910 20 30 FFEDMM N#CCC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000120078664 728605482 /nfs/dbraw/zinc/60/54/82/728605482.db2.gz BXDJTCKVTOGSIU-CYBMUJFWSA-N -1 1 351.409 2.980 20 30 FFEDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)C2CC2)n1 ZINC000122275373 728645693 /nfs/dbraw/zinc/64/56/93/728645693.db2.gz ROILRDGCWDCNGC-AWEZNQCLSA-N -1 1 351.428 2.892 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000132320002 728724229 /nfs/dbraw/zinc/72/42/29/728724229.db2.gz AVWNOHHYOUNAFQ-UHFFFAOYSA-N -1 1 364.354 2.855 20 30 FFEDMM CC[C@H](C)OCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000152077052 728747776 /nfs/dbraw/zinc/74/77/76/728747776.db2.gz SFVIXPPNHABEER-JQWIXIFHSA-N -1 1 359.451 2.855 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc([N+](=O)[O-])c1F ZINC000327563281 729793333 /nfs/dbraw/zinc/79/33/33/729793333.db2.gz ZHELGCZJEBXTFQ-UHFFFAOYSA-N -1 1 365.342 2.746 20 30 FFEDMM C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C#N)c1[O-] ZINC000866314751 731048742 /nfs/dbraw/zinc/04/87/42/731048742.db2.gz GSVFQMUFIVYFDS-CYBMUJFWSA-N -1 1 357.435 2.977 20 30 FFEDMM C=C[C@H](CCC(=O)[O-])NCc1cccc(F)c1I ZINC000871878212 731693463 /nfs/dbraw/zinc/69/34/63/731693463.db2.gz GAQRGXPJXAHTKM-SNVBAGLBSA-N -1 1 363.170 2.939 20 30 FFEDMM O=C1[N-][C@H](c2cc(F)ccc2F)C(=O)N1CCOC(F)(F)C(F)(F)F ZINC000871908825 731699375 /nfs/dbraw/zinc/69/93/75/731699375.db2.gz RHDPWZDQYVIALE-SECBINFHSA-N -1 1 374.212 2.729 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000872489391 731779362 /nfs/dbraw/zinc/77/93/62/731779362.db2.gz UCUVXQGSJVYWHS-ZSEKCTLFSA-N -1 1 362.904 2.745 20 30 FFEDMM COCc1cc(C#N)ccc1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000882639141 733263622 /nfs/dbraw/zinc/26/36/22/733263622.db2.gz ARXDXEMDULORLW-RISCZKNCSA-N -1 1 355.360 2.598 20 30 FFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1F ZINC000782922331 738764807 /nfs/dbraw/zinc/76/48/07/738764807.db2.gz RCQZLWDOJVPGHN-UHFFFAOYSA-N -1 1 363.370 2.985 20 30 FFEDMM CCCOc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000748248791 735630155 /nfs/dbraw/zinc/63/01/55/735630155.db2.gz XEPNPSWTSBTJRI-UHFFFAOYSA-N -1 1 363.395 2.696 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1C ZINC000748255490 735630717 /nfs/dbraw/zinc/63/07/17/735630717.db2.gz WFMZGCRPSQPGBO-UHFFFAOYSA-N -1 1 351.359 2.745 20 30 FFEDMM Cc1ccc2c(C=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c[nH]c2c1 ZINC000748254526 735630752 /nfs/dbraw/zinc/63/07/52/735630752.db2.gz AVOFWZACBPMHTP-UHFFFAOYSA-N -1 1 358.379 2.697 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccn1 ZINC000751117265 735847092 /nfs/dbraw/zinc/84/70/92/735847092.db2.gz RDTZHDBWQWTWFT-INIZCTEOSA-N -1 1 360.395 2.537 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)c(Cl)c1 ZINC000901962737 735879721 /nfs/dbraw/zinc/87/97/21/735879721.db2.gz LVSLTQYZDYMDJH-UHFFFAOYSA-N -1 1 365.842 2.670 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2c(C)nn(COC)c2C)c(Cl)c1 ZINC000901963444 735880395 /nfs/dbraw/zinc/88/03/95/735880395.db2.gz SZVSJVXSEDMTDE-UHFFFAOYSA-N -1 1 353.831 2.539 20 30 FFEDMM O=C([O-])C1(C(F)(F)F)CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000903919776 736188550 /nfs/dbraw/zinc/18/85/50/736188550.db2.gz NFBWMKULEBOLTK-UHFFFAOYSA-N -1 1 373.240 2.930 20 30 FFEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)C(C)(C)CC4)nn21 ZINC000906259694 736477009 /nfs/dbraw/zinc/47/70/09/736477009.db2.gz JXSWONPTXAVINP-UHFFFAOYSA-N -1 1 352.423 2.842 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2c(F)ccc(C3OCCO3)c2Cl)n1 ZINC000761724050 736756460 /nfs/dbraw/zinc/75/64/60/736756460.db2.gz NOQRKOLEVPBDDW-UHFFFAOYSA-N -1 1 352.753 2.775 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1c[nH]c2cccc(F)c12 ZINC000763358145 736930495 /nfs/dbraw/zinc/93/04/95/736930495.db2.gz OUTZMBOVQBIBGS-UHFFFAOYSA-N -1 1 362.342 2.528 20 30 FFEDMM O=S1(=O)[N-]C(=NN=CCc2ccc(F)cc2Cl)c2ccccc21 ZINC000766434989 737229286 /nfs/dbraw/zinc/22/92/86/737229286.db2.gz VPLKOCKUCFZXKD-UHFFFAOYSA-N -1 1 351.790 2.746 20 30 FFEDMM C=C(C)C[C@H](C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000767696579 737356186 /nfs/dbraw/zinc/35/61/86/737356186.db2.gz QDXRWCOAKFOCRD-NSHDSACASA-N -1 1 355.337 2.690 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cnc(C3CCCC3)s2)c2ccccc21 ZINC000767772164 737366796 /nfs/dbraw/zinc/36/67/96/737366796.db2.gz VQXSYBRTBRVXPP-UHFFFAOYSA-N -1 1 360.464 2.873 20 30 FFEDMM N#C[C@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C1CC1 ZINC000769784496 737565834 /nfs/dbraw/zinc/56/58/34/737565834.db2.gz LXBBCWWWJKBMAR-NSHDSACASA-N -1 1 357.288 2.535 20 30 FFEDMM C#CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000918502196 737807610 /nfs/dbraw/zinc/80/76/10/737807610.db2.gz YHUMQIKKICGSCI-UHFFFAOYSA-N -1 1 359.403 2.676 20 30 FFEDMM CC(C)NS(=O)(=O)c1ccc(N=NCc2ccc([O-])c(Cl)c2)nc1 ZINC000921257764 737955683 /nfs/dbraw/zinc/95/56/83/737955683.db2.gz RZELHAJFCCGKHL-UHFFFAOYSA-N -1 1 368.846 2.573 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c(F)cc1F ZINC000775170814 738069302 /nfs/dbraw/zinc/06/93/02/738069302.db2.gz FMJSBVPFZHYXNU-QFYYESIMSA-N -1 1 372.393 2.502 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C#N)C2CCCCC2)o1 ZINC000776375906 738188668 /nfs/dbraw/zinc/18/86/68/738188668.db2.gz SKZSGXQGMSGRJN-CQSZACIVSA-N -1 1 368.455 2.986 20 30 FFEDMM CC(N=Nc1ccccc1S(C)(=O)=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000776768948 738230742 /nfs/dbraw/zinc/23/07/42/738230742.db2.gz ADYWHQWNQJHKAV-UHFFFAOYSA-N -1 1 350.371 2.764 20 30 FFEDMM [O-]c1c(O)cc(C=NN[C@H](CO)c2ccccc2)cc1Br ZINC000788468470 739247665 /nfs/dbraw/zinc/24/76/65/739247665.db2.gz LIKKAWOUDSFDQU-CYBMUJFWSA-N -1 1 351.200 2.517 20 30 FFEDMM CC(C)O[C@@H](C=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000792963092 739724174 /nfs/dbraw/zinc/72/41/74/739724174.db2.gz VDBDLXYFGITJOC-INIZCTEOSA-N -1 1 357.435 2.877 20 30 FFEDMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)o1 ZINC000794589404 739907633 /nfs/dbraw/zinc/90/76/33/739907633.db2.gz FVJYYSGCSJOFME-UHFFFAOYSA-N -1 1 354.391 2.912 20 30 FFEDMM CN(C)c1ncc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)n1C ZINC000811635876 741544540 /nfs/dbraw/zinc/54/45/40/741544540.db2.gz PBJLCNQOIKZOKO-UHFFFAOYSA-N -1 1 373.511 2.541 20 30 FFEDMM C=C(Cl)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000819729087 742426710 /nfs/dbraw/zinc/42/67/10/742426710.db2.gz BSFRZCJMJXMHPQ-UHFFFAOYSA-N -1 1 366.606 2.697 20 30 FFEDMM C=CCCSCCNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000852487383 749874236 /nfs/dbraw/zinc/87/42/36/749874236.db2.gz DPMLCWCPVDRGAY-VXGBXAGGSA-N -1 1 367.437 2.537 20 30 FFEDMM C=CCCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000852521287 749882730 /nfs/dbraw/zinc/88/27/30/749882730.db2.gz WIFQBQYEWUBJLX-STQMWFEESA-N -1 1 364.408 2.806 20 30 FFEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000826387143 948190613 /nfs/dbraw/zinc/19/06/13/948190613.db2.gz IFTLRRHBPCDFLS-UHFFFAOYSA-N -1 1 352.361 2.522 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000891019996 961593284 /nfs/dbraw/zinc/59/32/84/961593284.db2.gz GSLOTBBUFNSUQG-HXUWFJFHSA-N -1 1 371.437 2.879 20 30 FFEDMM O=c1[n-]c(=S)[nH]c(Nc2cncc(CO)c2)c1N=Cc1ccccc1 ZINC001211101291 962830765 /nfs/dbraw/zinc/83/07/65/962830765.db2.gz HGOOZNMBKZZGSR-UFWORHAWSA-N -1 1 353.407 2.852 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c(N)c1 ZINC001213363578 966153369 /nfs/dbraw/zinc/15/33/69/966153369.db2.gz GPNSWFGZQCXUOP-UHFFFAOYSA-N -1 1 357.222 2.830 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)Nc2ccc(N(C)C)cc2)c1 ZINC000729636609 981210837 /nfs/dbraw/zinc/21/08/37/981210837.db2.gz LSKNOMZOEUBPJW-UHFFFAOYSA-N -1 1 372.450 2.565 20 30 FFEDMM C=CCn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908665549 981494410 /nfs/dbraw/zinc/49/44/10/981494410.db2.gz TUGVQEQEQOBKQJ-STQMWFEESA-N -1 1 358.446 2.823 20 30 FFEDMM C=CCN(CC(=O)[O-])C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000909127701 981629852 /nfs/dbraw/zinc/62/98/52/981629852.db2.gz XCFGMCGYKPVCID-CQSZACIVSA-N -1 1 373.375 2.590 20 30 FFEDMM C#CC[C@H](NC(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC)C(=O)[O-] ZINC000910050031 981794349 /nfs/dbraw/zinc/79/43/49/981794349.db2.gz CIAVEWWBJXFTOF-GJZGRUSLSA-N -1 1 370.371 2.681 20 30 FFEDMM CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595009166 982933020 /nfs/dbraw/zinc/93/30/20/982933020.db2.gz FYBGWUBDOXKUIP-MFKMUULPSA-N -1 1 355.350 2.847 20 30 FFEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595009166 982933027 /nfs/dbraw/zinc/93/30/27/982933027.db2.gz FYBGWUBDOXKUIP-MFKMUULPSA-N -1 1 355.350 2.847 20 30 FFEDMM COc1ccc(NN=Cc2[nH]nc3cc(C(=O)[O-])ccc23)c([N+](=O)[O-])c1 ZINC000765584438 985212951 /nfs/dbraw/zinc/21/29/51/985212951.db2.gz QUPJSSJTIXBYMF-UHFFFAOYSA-N -1 1 355.310 2.624 20 30 FFEDMM COc1ccc(NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)c([N+](=O)[O-])c1 ZINC000765584438 985212955 /nfs/dbraw/zinc/21/29/55/985212955.db2.gz QUPJSSJTIXBYMF-UHFFFAOYSA-N -1 1 355.310 2.624 20 30 FFEDMM CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001594725481 987231697 /nfs/dbraw/zinc/23/16/97/987231697.db2.gz XTXQMKYBTOSSBV-GDBMZVCRSA-N -1 1 354.410 2.887 20 30 FFEDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000762612445 988516684 /nfs/dbraw/zinc/51/66/84/988516684.db2.gz LKHVHQLSKBCZCH-MLGOLLRUSA-N -1 1 359.426 2.639 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N=C3C[C@H](C)ON3)cc2)cc1 ZINC000763259005 989323392 /nfs/dbraw/zinc/32/33/92/989323392.db2.gz ILBDKHOPBCBDAQ-ZDUSSCGKSA-N -1 1 373.434 2.648 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1OC ZINC000916934830 990035461 /nfs/dbraw/zinc/03/54/61/990035461.db2.gz ZCZQRKDJFGPYRL-GFCCVEGCSA-N -1 1 372.402 2.929 20 30 FFEDMM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000916966166 990080436 /nfs/dbraw/zinc/08/04/36/990080436.db2.gz KVKWLHRVZPWKPQ-LBPRGKRZSA-N -1 1 370.386 2.683 20 30 FFEDMM CCOc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1OCC ZINC000920988026 990949615 /nfs/dbraw/zinc/94/96/15/990949615.db2.gz UXNOVUYBGQBTPF-UHFFFAOYSA-N -1 1 373.434 2.557 20 30 FFEDMM CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000804231434 991340744 /nfs/dbraw/zinc/34/07/44/991340744.db2.gz QGYIFYDEGODBNQ-MRXNPFEDSA-N -1 1 359.426 2.785 20 30 FFEDMM C[C@@H](OCC1CC1)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000068336000 991394876 /nfs/dbraw/zinc/39/48/76/991394876.db2.gz STOXZWFZSZDHRC-ZWNOBZJWSA-N -1 1 371.462 2.855 20 30 FFEDMM N#Cc1ccccc1NC1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000880716935 1015956507 /nfs/dbraw/zinc/95/65/07/1015956507.db2.gz ZWTWRMAEGFDSSL-UHFFFAOYSA-N -1 1 355.369 2.825 20 30 FFEDMM C=CC[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccncc1 ZINC000734461208 999293747 /nfs/dbraw/zinc/29/37/47/999293747.db2.gz XCLKJWOPMWGIIE-QGZVFWFLSA-N -1 1 365.437 2.813 20 30 FFEDMM Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000743268006 999810090 /nfs/dbraw/zinc/81/00/90/999810090.db2.gz SOSQQXMALFEOIF-UHFFFAOYSA-N -1 1 371.418 2.933 20 30 FFEDMM CC#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)O)cc2)cc1 ZINC000744457363 999858163 /nfs/dbraw/zinc/85/81/63/999858163.db2.gz OYRGSKIZTXIKJL-CQSZACIVSA-N -1 1 373.430 2.721 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000766473306 999996441 /nfs/dbraw/zinc/99/64/41/999996441.db2.gz BVCLCXIAZKRGRK-UHFFFAOYSA-N -1 1 361.430 2.812 20 30 FFEDMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3n[nH]c4cccc(C#N)c43)cc2)[n-]1 ZINC001148329827 1001116404 /nfs/dbraw/zinc/11/64/04/1001116404.db2.gz YITDTSFOWXOGKY-UHFFFAOYSA-N -1 1 358.361 2.799 20 30 FFEDMM CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000785597915 1001456926 /nfs/dbraw/zinc/45/69/26/1001456926.db2.gz BMRFRGKVDIVNEI-UHFFFAOYSA-N -1 1 359.426 2.830 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)c3ccc(COc4ccccc4C#N)o3)ccnc1-2 ZINC000791168433 1002605306 /nfs/dbraw/zinc/60/53/06/1002605306.db2.gz ODNWHWYSJBZLNM-UHFFFAOYSA-N -1 1 373.372 2.638 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000773053938 1002614324 /nfs/dbraw/zinc/61/43/24/1002614324.db2.gz IWZUDJLBFVUMAU-UHFFFAOYSA-N -1 1 372.406 2.700 20 30 FFEDMM CC(=O)N/C(=C\c1cc(F)ccc1F)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001185732643 1003043116 /nfs/dbraw/zinc/04/31/16/1003043116.db2.gz CWSYBAWVUKBHCY-PXNMLYILSA-N -1 1 357.316 2.658 20 30 FFEDMM CCCCCCCCCCCCNC(=O)Nc1c(O)[nH]c(=O)[n-]c1=S ZINC001191860547 1003967036 /nfs/dbraw/zinc/96/70/36/1003967036.db2.gz JLMDKOALYISPTA-ZDUSSCGKSA-N -1 1 370.519 2.742 20 30 FFEDMM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1ccc(C#N)cc1OC ZINC001192236781 1004104164 /nfs/dbraw/zinc/10/41/64/1004104164.db2.gz ZHGMTYFERVMOEW-UHFFFAOYSA-N -1 1 366.333 2.532 20 30 FFEDMM COc1cc(C#N)c(F)cc1[N-]C(=O)c1nc(Cc2ccccc2)no1 ZINC001192276709 1004113502 /nfs/dbraw/zinc/11/35/02/1004113502.db2.gz PBABPFZJNJQGOR-UHFFFAOYSA-N -1 1 352.325 2.932 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1ccc(Cl)nc1C(F)(F)F ZINC001192483095 1004186294 /nfs/dbraw/zinc/18/62/94/1004186294.db2.gz OGGVUZJIVCVFMF-UHFFFAOYSA-N -1 1 373.678 2.689 20 30 FFEDMM Cc1c(Br)cc([N-]S(=O)(=O)CC#N)cc1Br ZINC001192980875 1004346983 /nfs/dbraw/zinc/34/69/83/1004346983.db2.gz SJRTZGRUDFAWNP-UHFFFAOYSA-N -1 1 368.050 2.785 20 30 FFEDMM COc1cc([N-]S(=O)(=O)[C@@H](C)C#N)c(Br)cc1Cl ZINC001193150645 1004391137 /nfs/dbraw/zinc/39/11/37/1004391137.db2.gz ZLKRRKXMWDSSAP-LURJTMIESA-N -1 1 353.625 2.765 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n(-c2ccccc2Br)n1 ZINC001193113017 1004377691 /nfs/dbraw/zinc/37/76/91/1004377691.db2.gz XMEKTVLHDNLEHQ-JTQLQIEISA-N -1 1 369.244 2.597 20 30 FFEDMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000747409146 1004645332 /nfs/dbraw/zinc/64/53/32/1004645332.db2.gz XOQIOUCOAKEAFF-HUUCEWRRSA-N -1 1 371.462 2.973 20 30 FFEDMM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC001194088341 1004656821 /nfs/dbraw/zinc/65/68/21/1004656821.db2.gz PCFUWCGXRFTWBT-ZETCQYMHSA-N -1 1 374.709 2.769 20 30 FFEDMM Cc1coc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)n1 ZINC001195751883 1005039577 /nfs/dbraw/zinc/03/95/77/1005039577.db2.gz KOABQFBDMQVGNC-REZTVBANSA-N -1 1 355.379 2.770 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F)C(=O)OC ZINC001201279081 1005194303 /nfs/dbraw/zinc/19/43/03/1005194303.db2.gz HFZCPBQDKRCCMT-SNVBAGLBSA-N -1 1 356.202 2.529 20 30 FFEDMM CC(C)N1C(=S)N=NC1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000776649674 1006355052 /nfs/dbraw/zinc/35/50/52/1006355052.db2.gz KBZWCUGAPZKVST-UHFFFAOYSA-N -1 1 371.466 2.745 20 30 FFEDMM O=c1nc(NN=C(Cc2ccccc2Cl)c2ccoc2)nc2[nH][n-]cc1-2 ZINC000814843197 1006448529 /nfs/dbraw/zinc/44/85/29/1006448529.db2.gz OCCZBXNEZNYZFI-UHFFFAOYSA-N -1 1 368.784 2.737 20 30 FFEDMM N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCc1c(F)cc([O-])cc1F)C2 ZINC000923939935 1017069158 /nfs/dbraw/zinc/06/91/58/1017069158.db2.gz BOPBNZQKFRWICX-CQSZACIVSA-N -1 1 357.360 2.551 20 30 FFEDMM O=C1C=C([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)CCC1 ZINC001189046119 1006869289 /nfs/dbraw/zinc/86/92/89/1006869289.db2.gz LKTKHHWBVJXBJD-UHFFFAOYSA-N -1 1 366.183 2.643 20 30 FFEDMM CC[C@]([N-]S(=O)(=O)c1c(C)cccc1C#N)(C(=O)OC)c1ccccc1 ZINC001190189387 1007491576 /nfs/dbraw/zinc/49/15/76/1007491576.db2.gz VRWQDIZDKIDHBC-LJQANCHMSA-N -1 1 372.446 2.624 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC001190649888 1007734882 /nfs/dbraw/zinc/73/48/82/1007734882.db2.gz RHWUEYCOCMDXFR-UHFFFAOYSA-N -1 1 373.678 2.689 20 30 FFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(S(C)(=O)=O)oc2C)cc1 ZINC000860469823 1009018297 /nfs/dbraw/zinc/01/82/97/1009018297.db2.gz LDNOCCLWMLAKNC-HNNXBMFYSA-N -1 1 374.418 2.515 20 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1023287159 /nfs/dbraw/zinc/28/71/59/1023287159.db2.gz OSGQQXZMMAOUHP-UHFFFAOYSA-N -1 1 355.250 2.633 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCO[C@H](C(F)F)C1 ZINC001121701681 1023934693 /nfs/dbraw/zinc/93/46/93/1023934693.db2.gz ZUQIYTRGUGBIOA-ZDUSSCGKSA-N -1 1 370.787 2.960 20 30 FFEDMM COC(=O)[C@@H](C)Oc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000758433777 1024113610 /nfs/dbraw/zinc/11/36/10/1024113610.db2.gz JJCMLVUNDNKIOU-DJTUGOFGSA-N -1 1 370.357 2.927 20 30 FFEDMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cc(C#N)ccc2O)n1 ZINC000759094628 1024465589 /nfs/dbraw/zinc/46/55/89/1024465589.db2.gz LZOWIRXVOZSOQX-UHFFFAOYSA-N -1 1 352.325 2.855 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cc3ccc(Br)cn3n2)c([O-])c1 ZINC001153136020 1027782469 /nfs/dbraw/zinc/78/24/69/1027782469.db2.gz AECYIDBHUIUQKC-UHFFFAOYSA-N -1 1 357.167 2.926 20 30 FFEDMM Cc1nc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)ccc1C#N ZINC001161197644 1028062744 /nfs/dbraw/zinc/06/27/44/1028062744.db2.gz DEKHIJRTQVHETL-UHFFFAOYSA-N -1 1 354.757 2.658 20 30 FFEDMM Cc1nc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)ccc1C#N ZINC001161197644 1028062765 /nfs/dbraw/zinc/06/27/65/1028062765.db2.gz DEKHIJRTQVHETL-UHFFFAOYSA-N -1 1 354.757 2.658 20 30 FFEDMM CN1CCN(C(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)[C@H](c2ccccc2)C1 ZINC001154552576 1028349909 /nfs/dbraw/zinc/34/99/09/1028349909.db2.gz XJAZFZZLLCQUOP-FQEVSTJZSA-N -1 1 372.428 2.529 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N[C@@H](c3ccccc3)C3(O)CCC3)cc(=O)c2c1 ZINC001154560896 1028356474 /nfs/dbraw/zinc/35/64/74/1028356474.db2.gz RZTLXYAFQMJDAT-FQEVSTJZSA-N -1 1 373.412 2.786 20 30 FFEDMM Cc1ncc([N+](=O)[O-])c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001155909394 1028970450 /nfs/dbraw/zinc/97/04/50/1028970450.db2.gz NKOOTTALRUGLED-UHFFFAOYSA-N -1 1 357.248 2.840 20 30 FFEDMM N#Cc1cnc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC001163946501 1029123169 /nfs/dbraw/zinc/12/31/69/1029123169.db2.gz GWULKPVHPIFNRI-UHFFFAOYSA-N -1 1 373.800 2.543 20 30 FFEDMM COc1ccc(C2CCC(N=Nc3nc4[nH][n-]cc-4c(=O)n3)CC2)cc1 ZINC000783841939 1030303191 /nfs/dbraw/zinc/30/31/91/1030303191.db2.gz HVLKBDGSBICWMZ-UHFFFAOYSA-N -1 1 352.398 2.566 20 30 FFEDMM COC1CC(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)C1 ZINC001142563033 1030602563 /nfs/dbraw/zinc/60/25/63/1030602563.db2.gz NLUSPNJJLFZJNK-GIJQJNRQSA-N -1 1 358.423 2.585 20 30 FFEDMM N#Cc1cc(NC(=O)c2nc3c(Cl)nc4ccccc4n3n2)ccc1[O-] ZINC001149978557 1031635963 /nfs/dbraw/zinc/63/59/63/1031635963.db2.gz XWQUBHYVKZQNTB-UHFFFAOYSA-N -1 1 364.752 2.760 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cc(Br)cn3ccnc23)c([O-])c1 ZINC001151654417 1032002436 /nfs/dbraw/zinc/00/24/36/1032002436.db2.gz ZVRKBFUJPYCIIW-UHFFFAOYSA-N -1 1 357.167 2.926 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2Cl)[C@@H](C#N)C1 ZINC001140338169 1035443037 /nfs/dbraw/zinc/44/30/37/1035443037.db2.gz YJUSGYOAGFKYLM-LBPRGKRZSA-N -1 1 351.834 2.990 20 30 FFEDMM C=C1O[C@@H](C)C(=O)C1Oc1c(C(=O)c2ccc([O-])cc2)ccc(O)c1O ZINC001228112997 1035939497 /nfs/dbraw/zinc/93/94/97/1035939497.db2.gz BVFJKYDREYLMNK-VIFPVBQESA-N -1 1 356.330 2.633 20 30 FFEDMM N#CCN1CC[C@H](Oc2[n-]c(=S)nc3ccc(Br)cc32)C1 ZINC001228643106 1036225892 /nfs/dbraw/zinc/22/58/92/1036225892.db2.gz AMZNCKBXSWUCSR-JTQLQIEISA-N -1 1 365.256 2.658 20 30 FFEDMM CCOC(=O)c1ccc(Br)c([O-])c1OC1=C(C)O[C@@H](C)C1=O ZINC001234607394 1037108639 /nfs/dbraw/zinc/10/86/39/1037108639.db2.gz CHPWRODENBTXHU-ZETCQYMHSA-N -1 1 371.183 2.930 20 30 FFEDMM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282788 1037194188 /nfs/dbraw/zinc/19/41/88/1037194188.db2.gz YVCNEUKBKJZVSM-NSHDSACASA-N -1 1 354.284 2.675 20 30 FFEDMM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1c(F)cc([O-])cc1F ZINC001276558158 1038078481 /nfs/dbraw/zinc/07/84/81/1038078481.db2.gz REGRLKYVISJSOH-IBGZPJMESA-N -1 1 363.408 2.931 20 30 FFEDMM C=C[C@@H]1C[C@]1([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC ZINC001257780383 1038975645 /nfs/dbraw/zinc/97/56/45/1038975645.db2.gz MSZNFLDMUUVXJA-YMTOWFKASA-N -1 1 364.250 2.780 20 30 FFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC001209706659 1039144164 /nfs/dbraw/zinc/14/41/64/1039144164.db2.gz KVAFZQOEBSNILU-QMMMGPOBSA-N -1 1 352.225 2.840 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)c3ccncc3)cc2)cc1 ZINC001258126766 1039202840 /nfs/dbraw/zinc/20/28/40/1039202840.db2.gz ZOTKQDJFZRVRNP-UHFFFAOYSA-N -1 1 363.398 2.985 20 30 FFEDMM C[C@H]1Cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2N(C)C1=O ZINC001258135631 1039213933 /nfs/dbraw/zinc/21/39/33/1039213933.db2.gz CHAIBRVEWVNUKD-LBPRGKRZSA-N -1 1 355.419 2.514 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(Br)c1 ZINC001258266752 1039292369 /nfs/dbraw/zinc/29/23/69/1039292369.db2.gz XGPYNLGQJOPLJQ-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1)C(=O)C2 ZINC001258979739 1039636586 /nfs/dbraw/zinc/63/65/86/1039636586.db2.gz CWWYSAARHKXLNH-QLJPJBMISA-N -1 1 367.858 2.744 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)OC)cc2)cc1F ZINC001259326383 1039915902 /nfs/dbraw/zinc/91/59/02/1039915902.db2.gz MOZFOYQRVGTIPR-UHFFFAOYSA-N -1 1 361.394 2.713 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc(O)cc2)C(F)(F)F)ccc1F ZINC001259421177 1039991452 /nfs/dbraw/zinc/99/14/52/1039991452.db2.gz HNCOWPJNSUQCOG-AWEZNQCLSA-N -1 1 374.315 2.985 20 30 FFEDMM CS(=O)(=O)c1ccc(-n2ncc(C#N)c2Nc2ccc(F)c([O-])c2)cc1 ZINC001211214842 1040003775 /nfs/dbraw/zinc/00/37/75/1040003775.db2.gz HATUFXCOQUBPHZ-UHFFFAOYSA-N -1 1 372.381 2.736 20 30 FFEDMM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001260001734 1040339065 /nfs/dbraw/zinc/33/90/65/1040339065.db2.gz BGBLUDSYLAJLOZ-DAXSKMNVSA-N -1 1 366.342 2.717 20 30 FFEDMM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1Cl ZINC001260042852 1040373044 /nfs/dbraw/zinc/37/30/44/1040373044.db2.gz BHYABBBYTSKMSO-UHFFFAOYSA-N -1 1 364.810 2.940 20 30 FFEDMM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c1 ZINC001254425362 1040715198 /nfs/dbraw/zinc/71/51/98/1040715198.db2.gz MGPXFTZGTYIMKK-UHFFFAOYSA-N -1 1 354.334 2.654 20 30 FFEDMM C=C[C@@H](COC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC001255035434 1041115766 /nfs/dbraw/zinc/11/57/66/1041115766.db2.gz CGABBPZSHOIKSB-INIZCTEOSA-N -1 1 374.462 2.727 20 30 FFEDMM COc1ncc(Nc2c(F)cc(C#N)cc2Cl)cc1[N-]S(C)(=O)=O ZINC001216155913 1041964954 /nfs/dbraw/zinc/96/49/54/1041964954.db2.gz DYZWSSMOJKGPHE-UHFFFAOYSA-N -1 1 370.793 2.869 20 30 FFEDMM COc1ncc(Nc2cc(F)c(C)cc2C#N)cc1[N-]S(C)(=O)=O ZINC001216157826 1041966171 /nfs/dbraw/zinc/96/61/71/1041966171.db2.gz XJMLCCOERZFSMU-UHFFFAOYSA-N -1 1 350.375 2.525 20 30 FFEDMM COc1ccc(C([O-])=C(C#N)c2cccc(F)n2)nc1Br ZINC001263379993 1042270956 /nfs/dbraw/zinc/27/09/56/1042270956.db2.gz CTFRNNLQUIJSPB-QMMMGPOBSA-N -1 1 350.147 2.877 20 30 FFEDMM C#Cc1cccc(NC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC001310006147 1043623227 /nfs/dbraw/zinc/62/32/27/1043623227.db2.gz CVVANPOCGUZWQN-FZMZJTMJSA-N -1 1 353.344 2.731 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1NC(C)=O ZINC001318900830 1044931013 /nfs/dbraw/zinc/93/10/13/1044931013.db2.gz SIYLNEIQRDCSFF-UHFFFAOYSA-N -1 1 359.407 2.520 20 30 FFEDMM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001320443917 1045409165 /nfs/dbraw/zinc/40/91/65/1045409165.db2.gz YIXPAAPZSWZHBV-CQSZACIVSA-N -1 1 372.446 2.905 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCc2ccc(F)cc2C1 ZINC001339867357 1050284334 /nfs/dbraw/zinc/28/43/34/1050284334.db2.gz ORWBLXAUTAMCIX-UHFFFAOYSA-N -1 1 359.796 2.604 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001342120526 1050715084 /nfs/dbraw/zinc/71/50/84/1050715084.db2.gz DNAUFPSKSCRDIL-OAHLLOKOSA-N -1 1 350.426 2.944 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)Cc1ncc(CC)s1 ZINC001343627936 1052344023 /nfs/dbraw/zinc/34/40/23/1052344023.db2.gz CGNLZPPQJJPAES-UHFFFAOYSA-N -1 1 359.459 2.605 20 30 FFEDMM COc1cnc([C@H]2CCCN2c2cc(C(F)(F)F)cc(C#N)n2)[n-]c1=O ZINC001335118513 1053223726 /nfs/dbraw/zinc/22/37/26/1053223726.db2.gz RPGPOBVFBVIZOY-LLVKDONJSA-N -1 1 365.315 2.818 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)C[C@@H]1CCCOC1 ZINC001351918941 1055065715 /nfs/dbraw/zinc/06/57/15/1055065715.db2.gz FWUVCYJZPZSQDG-LBPRGKRZSA-N -1 1 363.849 2.748 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Nc1cccc(CC#N)c1 ZINC000847191790 1055208826 /nfs/dbraw/zinc/20/88/26/1055208826.db2.gz BBZLUFNSCDOYHS-BXUZGUMPSA-N -1 1 368.359 2.816 20 30 FFEDMM C=C(C)Cn1c([C@@H]2C[C@H]2C)nnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001356328437 1055455062 /nfs/dbraw/zinc/45/50/62/1055455062.db2.gz GENCCZZVNCAEBU-XHBSWPGZSA-N -1 1 371.407 2.625 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[NH+](C2CCC2)CC1 ZINC001338981881 1055985919 /nfs/dbraw/zinc/98/59/19/1055985919.db2.gz QIFILDUZNFKYMQ-UHFFFAOYSA-N -1 1 374.876 2.560 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001338983276 1055987272 /nfs/dbraw/zinc/98/72/72/1055987272.db2.gz YQPZCPPISYNRRO-LLVKDONJSA-N -1 1 363.849 2.889 20 30 FFEDMM Cc1c(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)ccc2cncn21 ZINC001514692346 1059056603 /nfs/dbraw/zinc/05/66/03/1059056603.db2.gz LJSIYENXKXMGHN-HNNXBMFYSA-N -1 1 368.343 2.560 20 30 FFEDMM Cc1c(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)ccc2cncn21 ZINC001514691393 1059056663 /nfs/dbraw/zinc/05/66/63/1059056663.db2.gz GWSQRJNGHQGAFH-INIZCTEOSA-N -1 1 368.343 2.560 20 30 FFEDMM Cc1c(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)ccc2cncn21 ZINC001514691398 1059057852 /nfs/dbraw/zinc/05/78/52/1059057852.db2.gz GWSQRJNGHQGAFH-MRXNPFEDSA-N -1 1 368.343 2.560 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@](F)(C#N)C1 ZINC001515895826 1059869808 /nfs/dbraw/zinc/86/98/08/1059869808.db2.gz MOGGLNUXHULFGW-MRXNPFEDSA-N -1 1 362.796 2.717 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(Oc2ccccc2)CC1 ZINC001355998661 1060796533 /nfs/dbraw/zinc/79/65/33/1060796533.db2.gz ZRMMFWXLXJLJMB-UHFFFAOYSA-N -1 1 366.425 2.608 20 30 FFEDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)c2ccccc2O1 ZINC001463743594 1062238902 /nfs/dbraw/zinc/23/89/02/1062238902.db2.gz AUMWNQCJZOMZHR-IAQYHMDHSA-N -1 1 373.390 2.657 20 30 FFEDMM CC(C)C#CC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001471249835 1064613464 /nfs/dbraw/zinc/61/34/64/1064613464.db2.gz FEXFNZJKBHFMTO-ZDUSSCGKSA-N -1 1 352.356 2.845 20 30 FFEDMM COc1cnc(C(C)(C)NC(=O)c2ccc(C(C)(C)C#N)cc2)[n-]c1=O ZINC001472022133 1064895485 /nfs/dbraw/zinc/89/54/85/1064895485.db2.gz RINNPEOAOIHMDV-UHFFFAOYSA-N -1 1 354.410 2.657 20 30 FFEDMM C[C@@H]1C[C@@H]1[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001576093359 1078195313 /nfs/dbraw/zinc/19/53/13/1078195313.db2.gz BXXVPVCYQWIXRC-LYSGOOTNSA-N -1 1 366.816 2.991 20 30 FFEDMM N#Cc1c(F)cccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(F)cc1 ZINC001561785873 1076422340 /nfs/dbraw/zinc/42/23/40/1076422340.db2.gz RUNVPVLPQAAGNU-UHFFFAOYSA-N -1 1 358.316 2.907 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OCC ZINC001561828568 1076429678 /nfs/dbraw/zinc/42/96/78/1076429678.db2.gz RYUNPNHEMMFYRO-MRXNPFEDSA-N -1 1 369.870 2.967 20 30 FFEDMM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccc(Cl)cc1F ZINC001588330313 1079987065 /nfs/dbraw/zinc/98/70/65/1079987065.db2.gz YZYBYNUXDDZPQL-CYBMUJFWSA-N -1 1 359.748 2.665 20 30 FFEDMM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccc(Cl)cc1F ZINC001588330313 1079987077 /nfs/dbraw/zinc/98/70/77/1079987077.db2.gz YZYBYNUXDDZPQL-CYBMUJFWSA-N -1 1 359.748 2.665 20 30 FFEDMM C#C[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001588330320 1079987808 /nfs/dbraw/zinc/98/78/08/1079987808.db2.gz ZBHZWLQURQAODO-CQSZACIVSA-N -1 1 355.760 2.764 20 30 FFEDMM C#C[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001588330320 1079987810 /nfs/dbraw/zinc/98/78/10/1079987810.db2.gz ZBHZWLQURQAODO-CQSZACIVSA-N -1 1 355.760 2.764 20 30 FFEDMM C#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C(F)(F)F)cc1 ZINC001588373390 1079996676 /nfs/dbraw/zinc/99/66/76/1079996676.db2.gz IYITTYZTUMZNNL-CYBMUJFWSA-N -1 1 362.267 2.901 20 30 FFEDMM C#Cc1cccc(N(C)C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)c1 ZINC001588374821 1079997379 /nfs/dbraw/zinc/99/73/79/1079997379.db2.gz POFLQOIHXPLWDO-UHFFFAOYSA-N -1 1 372.310 2.538 20 30 FFEDMM c1sc(CN=Nc2nc(-c3ccccc3)cs2)nc1-c1nnn[n-]1 ZINC001588381871 1080000994 /nfs/dbraw/zinc/00/09/94/1080000994.db2.gz VFJFGTBXUITPNQ-UHFFFAOYSA-N -1 1 354.424 2.893 20 30 FFEDMM c1sc(CN=Nc2nc(-c3ccccc3)cs2)nc1-c1nn[n-]n1 ZINC001588381871 1080001004 /nfs/dbraw/zinc/00/10/04/1080001004.db2.gz VFJFGTBXUITPNQ-UHFFFAOYSA-N -1 1 354.424 2.893 20 30 FFEDMM C=C(C)CCC(=O)N[C@@H](C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001588415227 1080016991 /nfs/dbraw/zinc/01/69/91/1080016991.db2.gz GHRPYAYETGWIRQ-NSHDSACASA-N -1 1 363.491 2.685 20 30 FFEDMM C=C(C)c1cccc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC001588441910 1080028449 /nfs/dbraw/zinc/02/84/49/1080028449.db2.gz INBXJBICQPUTKA-UHFFFAOYSA-N -1 1 368.422 2.975 20 30 FFEDMM C#CCNC(=O)C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001588479407 1080043634 /nfs/dbraw/zinc/04/36/34/1080043634.db2.gz MQPQJESKZIQQMM-OAHLLOKOSA-N -1 1 369.248 2.581 20 30 FFEDMM C=CCC1(NC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001588556655 1080094632 /nfs/dbraw/zinc/09/46/32/1080094632.db2.gz BMLCAOQBAJRAMA-UHFFFAOYSA-N -1 1 357.418 2.671 20 30 FFEDMM C=CCCCC(=O)N(C)[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588581813 1080107694 /nfs/dbraw/zinc/10/76/94/1080107694.db2.gz BANDHPYUTMLJTK-SECBINFHSA-N -1 1 369.882 2.592 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cc3cnccc3o2)o1 ZINC001588781238 1080193304 /nfs/dbraw/zinc/19/33/04/1080193304.db2.gz OBZAXLFVQSBLKK-UHFFFAOYSA-N -1 1 352.358 2.955 20 30 FFEDMM C=CCOC[C@@H](NCc1c(-c2ccccc2)nc2sccn21)C(=O)[O-] ZINC001588866716 1080221443 /nfs/dbraw/zinc/22/14/43/1080221443.db2.gz SKPROIJAXMWBHD-CQSZACIVSA-N -1 1 357.435 2.808 20 30 FFEDMM C=C[C@H](CO)NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001588919493 1080264681 /nfs/dbraw/zinc/26/46/81/1080264681.db2.gz NGGWRJKPHPZESX-SNVBAGLBSA-N -1 1 356.209 2.514 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccnc(Cl)c2F)o1 ZINC001589238336 1080440272 /nfs/dbraw/zinc/44/02/72/1080440272.db2.gz UBSPZLVTRUOKFD-UHFFFAOYSA-N -1 1 364.772 2.786 20 30 FFEDMM C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589444229 1080537400 /nfs/dbraw/zinc/53/74/00/1080537400.db2.gz GZIICKIZAFCSIP-BTYIYWSLSA-N -1 1 363.417 2.614 20 30 FFEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589448954 1080539606 /nfs/dbraw/zinc/53/96/06/1080539606.db2.gz XGSHAMWPNWEFLT-UFYHVXEKSA-N -1 1 373.478 2.622 20 30 FFEDMM C[C@H]1CC(NN=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)C[C@H](C)O1 ZINC001590205466 1081089534 /nfs/dbraw/zinc/08/95/34/1081089534.db2.gz AHJSAJIHBHNFST-IUCAKERBSA-N -1 1 352.801 2.539 20 30 FFEDMM C[C@H]1CC(NN=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)C[C@H](C)O1 ZINC001590205466 1081089538 /nfs/dbraw/zinc/08/95/38/1081089538.db2.gz AHJSAJIHBHNFST-IUCAKERBSA-N -1 1 352.801 2.539 20 30 FFEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nn[n-]n4)o3)sc2C1 ZINC001590279789 1081136795 /nfs/dbraw/zinc/13/67/95/1081136795.db2.gz NREPZAMHJIUCBB-MRVPVSSYSA-N -1 1 354.395 2.770 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2)o1 ZINC000331553816 258190434 /nfs/dbraw/zinc/19/04/34/258190434.db2.gz AGCWIVIBOURIHN-GFCCVEGCSA-N -1 1 365.842 2.752 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(C#N)c1 ZINC000065736702 506354050 /nfs/dbraw/zinc/35/40/50/506354050.db2.gz WVBGPOKGXPDZAX-UHFFFAOYSA-N -1 1 359.389 2.583 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)ccc1C(F)(F)F ZINC000410344822 512243177 /nfs/dbraw/zinc/24/31/77/512243177.db2.gz ZNXDWQMZHWVBGV-UHFFFAOYSA-N -1 1 356.329 2.978 20 30 FFEDMM CC(C)Oc1c(NS(=O)(=O)c2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC000410399435 512253849 /nfs/dbraw/zinc/25/38/49/512253849.db2.gz FDOVOCPNNDJUBL-UHFFFAOYSA-N -1 1 360.391 2.844 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CC#N)c2)cc1 ZINC000064333227 507790960 /nfs/dbraw/zinc/79/09/60/507790960.db2.gz ICTGKRJEZCKYAX-ZDUSSCGKSA-N -1 1 373.434 2.528 20 30 FFEDMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2coc3ccc4ccccc4c23)n1 ZINC000064348024 507791743 /nfs/dbraw/zinc/79/17/43/507791743.db2.gz FXLXPTZRWSZLOS-UHFFFAOYSA-N -1 1 370.390 2.938 20 30 FFEDMM CS(=O)(=O)c1nnc(NC(=O)Cc2coc3ccc4ccccc4c23)[n-]1 ZINC000064348024 507791745 /nfs/dbraw/zinc/79/17/45/507791745.db2.gz FXLXPTZRWSZLOS-UHFFFAOYSA-N -1 1 370.390 2.938 20 30 FFEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2)n[nH]1 ZINC000114673669 508335592 /nfs/dbraw/zinc/33/55/92/508335592.db2.gz NFPIBIRMLKQAJI-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)ccc1Cl ZINC000117739789 508615720 /nfs/dbraw/zinc/61/57/20/508615720.db2.gz AMHHOBOFNXVXOE-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM CC#CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000154547826 508807311 /nfs/dbraw/zinc/80/73/11/508807311.db2.gz UNPGFZOFTSUHCV-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000125295419 508961919 /nfs/dbraw/zinc/96/19/19/508961919.db2.gz LPXOMHNANWXQKF-LBPRGKRZSA-N -1 1 356.856 2.594 20 30 FFEDMM N#Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000132592010 509050015 /nfs/dbraw/zinc/05/00/15/509050015.db2.gz PRTCXGDFSHQVCC-UHFFFAOYSA-N -1 1 359.338 2.678 20 30 FFEDMM C=CCN(CCOC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000191960539 509263981 /nfs/dbraw/zinc/26/39/81/509263981.db2.gz OVWQWLLKQKYQFS-UHFFFAOYSA-N -1 1 374.462 2.762 20 30 FFEDMM C=CCSCCNC(=O)c1cc(I)ccc1[O-] ZINC000223899146 509351058 /nfs/dbraw/zinc/35/10/58/509351058.db2.gz NXLPOQVYKVMCAG-UHFFFAOYSA-N -1 1 363.220 2.646 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nc(C(C)(C)C)no1 ZINC000163998239 509451197 /nfs/dbraw/zinc/45/11/97/509451197.db2.gz PGCDUSFTBGOAJD-SNVBAGLBSA-N -1 1 366.418 2.558 20 30 FFEDMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1Oc1ccccc1 ZINC000249141834 509620956 /nfs/dbraw/zinc/62/09/56/509620956.db2.gz YCBUXSBEJHXPCN-QXAKKESOSA-N -1 1 352.390 2.619 20 30 FFEDMM C=CCC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCC1 ZINC000189794939 509755909 /nfs/dbraw/zinc/75/59/09/509755909.db2.gz MAKCDBVGYGQNPZ-UHFFFAOYSA-N -1 1 364.467 2.862 20 30 FFEDMM COc1ccc(C2(CNC(=O)c3ccc(C#N)c([O-])c3)CCOCC2)cc1 ZINC000190995032 510457014 /nfs/dbraw/zinc/45/70/14/510457014.db2.gz BINAKYRYPNIZJN-UHFFFAOYSA-N -1 1 366.417 2.751 20 30 FFEDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172590741 510808366 /nfs/dbraw/zinc/80/83/66/510808366.db2.gz IFHLJHLYOOIDBM-UHFFFAOYSA-N -1 1 357.435 2.807 20 30 FFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000188597351 510838997 /nfs/dbraw/zinc/83/89/97/510838997.db2.gz DQTZCZAPNDVMDO-JTQLQIEISA-N -1 1 352.325 2.944 20 30 FFEDMM N#CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290653281 511147357 /nfs/dbraw/zinc/14/73/57/511147357.db2.gz FCYUXTCSOQTJGM-UHFFFAOYSA-N -1 1 352.199 2.874 20 30 FFEDMM N#Cc1cccc(NC(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000298264836 511229395 /nfs/dbraw/zinc/22/93/95/511229395.db2.gz CXEPKAJSVJUZRL-UHFFFAOYSA-N -1 1 370.434 2.666 20 30 FFEDMM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279953692 511279388 /nfs/dbraw/zinc/27/93/88/511279388.db2.gz NHJWUSNFCATTDJ-CQSZACIVSA-N -1 1 372.446 2.905 20 30 FFEDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000324793191 511840504 /nfs/dbraw/zinc/84/05/04/511840504.db2.gz KRTNLYNTDCLKLN-UHFFFAOYSA-N -1 1 364.810 2.728 20 30 FFEDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000326342198 511857045 /nfs/dbraw/zinc/85/70/45/511857045.db2.gz LFNOZLFCRMKWGU-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000359957379 512059034 /nfs/dbraw/zinc/05/90/34/512059034.db2.gz NMCUPLZQXYTOBV-KSSFIOAISA-N -1 1 365.433 2.768 20 30 FFEDMM CN(C)c1nc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc(=O)[n-]1 ZINC000434114579 513241729 /nfs/dbraw/zinc/24/17/29/513241729.db2.gz FWSNEDGUMWGBFA-HNNXBMFYSA-N -1 1 353.426 2.540 20 30 FFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000412810551 513284330 /nfs/dbraw/zinc/28/43/30/513284330.db2.gz AWCNXHOGNYXFLI-QGZVFWFLSA-N -1 1 364.449 2.898 20 30 FFEDMM CCN(CC)c1n[nH]c([N-]S(=O)(=O)Cc2c(C)cccc2C)c1C#N ZINC000451009697 513454734 /nfs/dbraw/zinc/45/47/34/513454734.db2.gz QXUVTGHYZPEEFB-UHFFFAOYSA-N -1 1 361.471 2.686 20 30 FFEDMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000435471905 513599597 /nfs/dbraw/zinc/59/95/97/513599597.db2.gz JCRUHSNHMRRUII-UHFFFAOYSA-N -1 1 358.423 2.761 20 30 FFEDMM COc1ccc(Br)c(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442724651 513759383 /nfs/dbraw/zinc/75/93/83/513759383.db2.gz WDSSKDFEJXFYFL-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1Cl ZINC000431168429 513843892 /nfs/dbraw/zinc/84/38/92/513843892.db2.gz IJLCRWZUFMGFRH-UHFFFAOYSA-N -1 1 356.812 2.861 20 30 FFEDMM COc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc(Cl)c1[O-] ZINC000443110240 513875719 /nfs/dbraw/zinc/87/57/19/513875719.db2.gz BARHFCBGMYWOHE-UHFFFAOYSA-N -1 1 369.768 2.759 20 30 FFEDMM COC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(OC)c(Cl)c1 ZINC000443131355 513881078 /nfs/dbraw/zinc/88/10/78/513881078.db2.gz JWPRMJJBGYPJTA-MRXNPFEDSA-N -1 1 374.780 2.570 20 30 FFEDMM COC(=O)CC[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000416646090 513885536 /nfs/dbraw/zinc/88/55/36/513885536.db2.gz KLDUCMPCCZWTJN-CQSZACIVSA-N -1 1 368.455 2.722 20 30 FFEDMM N#Cc1ccnc(N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)c1 ZINC000436759124 513968395 /nfs/dbraw/zinc/96/83/95/513968395.db2.gz SUMYXXPTPOSLHL-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM C=CCN(C)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436823544 513994936 /nfs/dbraw/zinc/99/49/36/513994936.db2.gz BPQQCTKWVWFEHY-UHFFFAOYSA-N -1 1 370.405 2.920 20 30 FFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCSCC1 ZINC000416939129 514056323 /nfs/dbraw/zinc/05/63/23/514056323.db2.gz MIOSCYNYDJLIGA-LBPRGKRZSA-N -1 1 359.904 2.937 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCCCC1 ZINC000451932998 514080176 /nfs/dbraw/zinc/08/01/76/514080176.db2.gz BQOGTKUIXVZHHY-UHFFFAOYSA-N -1 1 351.394 2.996 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)c1 ZINC000438986579 514479132 /nfs/dbraw/zinc/47/91/32/514479132.db2.gz MUJNYHOIAHVRCG-UHFFFAOYSA-N -1 1 363.389 2.940 20 30 FFEDMM C=CCC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1ccccc1 ZINC000461457595 514624703 /nfs/dbraw/zinc/62/47/03/514624703.db2.gz RRKPCHXRPYEUIT-MRXNPFEDSA-N -1 1 374.462 2.989 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cn1 ZINC000508112878 514672420 /nfs/dbraw/zinc/67/24/20/514672420.db2.gz OJTBKQONXGEXHQ-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475818277 514821673 /nfs/dbraw/zinc/82/16/73/514821673.db2.gz SANQEMYTKMXZBN-CYBMUJFWSA-N -1 1 373.434 2.527 20 30 FFEDMM O=S(=O)([N-]CCOC(F)(F)F)c1cccc(OC(F)(F)F)c1F ZINC000489843644 514997325 /nfs/dbraw/zinc/99/73/25/514997325.db2.gz XMIZTZVESUFFED-UHFFFAOYSA-N -1 1 371.230 2.539 20 30 FFEDMM Cc1onc(CC(=O)Nc2cc(C)cc(Br)c2[O-])c1C#N ZINC000500054987 515572078 /nfs/dbraw/zinc/57/20/78/515572078.db2.gz NAAQHUNFBQHNTE-UHFFFAOYSA-N -1 1 350.172 2.812 20 30 FFEDMM COC(=O)c1nc([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)sc1C ZINC000473552957 515659696 /nfs/dbraw/zinc/65/96/96/515659696.db2.gz RUEBEHCWLWWSME-CYBMUJFWSA-N -1 1 371.418 2.793 20 30 FFEDMM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000482924720 515849545 /nfs/dbraw/zinc/84/95/45/515849545.db2.gz DYKDRVLUMWWZNA-AWEZNQCLSA-N -1 1 371.418 2.874 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C(N)=O)c2)ccc1C#N ZINC000478683814 515924921 /nfs/dbraw/zinc/92/49/21/515924921.db2.gz GXWPYNLDXOHMGU-UHFFFAOYSA-N -1 1 373.434 2.554 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000488158631 516138717 /nfs/dbraw/zinc/13/87/17/516138717.db2.gz LZBGCBVTHQZTRM-LBPRGKRZSA-N -1 1 370.434 2.550 20 30 FFEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncccc2OCCCC#N)c1 ZINC000535855049 516534159 /nfs/dbraw/zinc/53/41/59/516534159.db2.gz NSERQVCQZVTBMP-UHFFFAOYSA-N -1 1 354.366 2.680 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000518175908 516566411 /nfs/dbraw/zinc/56/64/11/516566411.db2.gz KXOCWJSPJFDIHB-CYBMUJFWSA-N -1 1 373.416 2.844 20 30 FFEDMM CC#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000544582481 516822407 /nfs/dbraw/zinc/82/24/07/516822407.db2.gz UXQIKROZFQZZAT-UHFFFAOYSA-N -1 1 356.447 2.939 20 30 FFEDMM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532621042 517066078 /nfs/dbraw/zinc/06/60/78/517066078.db2.gz JPRDTXJYCXHLSX-UHFFFAOYSA-N -1 1 362.382 2.861 20 30 FFEDMM CC(C)(C)CC[C@@](C)(NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000560079096 517567467 /nfs/dbraw/zinc/56/74/67/517567467.db2.gz YEBLSXSKGGLRCD-MRXNPFEDSA-N -1 1 374.409 2.784 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000521716485 517838274 /nfs/dbraw/zinc/83/82/74/517838274.db2.gz KCMMBOLZWQTZIC-SNVBAGLBSA-N -1 1 365.436 2.765 20 30 FFEDMM C=CCN(C(=O)c1cncc([O-])c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000560666634 517960834 /nfs/dbraw/zinc/96/08/34/517960834.db2.gz ONMJTQHMPMGRAD-SFHVURJKSA-N -1 1 354.406 2.590 20 30 FFEDMM COc1cc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)ccc1C#N ZINC000575992944 518378480 /nfs/dbraw/zinc/37/84/80/518378480.db2.gz PRQFFYYTFKTUTE-UHFFFAOYSA-N -1 1 361.405 2.775 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000589197149 518947642 /nfs/dbraw/zinc/94/76/42/518947642.db2.gz DDNRAOJNZSSBKI-UHFFFAOYSA-N -1 1 362.385 2.965 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000589207747 518951826 /nfs/dbraw/zinc/95/18/26/518951826.db2.gz MGAXBNBIYRYQOR-UHFFFAOYSA-N -1 1 365.311 2.572 20 30 FFEDMM Cc1[n-][nH]c(=NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1Br ZINC000597731808 520203396 /nfs/dbraw/zinc/20/33/96/520203396.db2.gz PBWYKNLUVWIANL-UHFFFAOYSA-N -1 1 363.190 2.584 20 30 FFEDMM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000613443375 520503022 /nfs/dbraw/zinc/50/30/22/520503022.db2.gz BKVBZVWFGNPUHX-QGZVFWFLSA-N -1 1 357.360 2.693 20 30 FFEDMM CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000610084688 520533398 /nfs/dbraw/zinc/53/33/98/520533398.db2.gz OPHMHPHLFGTGQM-OAHLLOKOSA-N -1 1 353.463 2.630 20 30 FFEDMM N#Cc1ccc(-n2ccc(NC(=O)c3ccc([O-])c(F)c3)n2)c(Cl)c1 ZINC000613526526 520545890 /nfs/dbraw/zinc/54/58/90/520545890.db2.gz WYPMDHIAIRXCTQ-UHFFFAOYSA-N -1 1 356.744 2.916 20 30 FFEDMM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3nc4ncccn4n3)sc2[C@@H](C)C1 ZINC000598840668 520871807 /nfs/dbraw/zinc/87/18/07/520871807.db2.gz XORQYQQVYWXVOV-UWVGGRQHSA-N -1 1 352.423 2.996 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)c1 ZINC000614296677 520894210 /nfs/dbraw/zinc/89/42/10/520894210.db2.gz LWAHUDDEWZNYNQ-UHFFFAOYSA-N -1 1 351.284 2.530 20 30 FFEDMM C[C@@H]1CN(Cc2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)C[C@H](C)O1 ZINC000614294111 520895085 /nfs/dbraw/zinc/89/50/85/520895085.db2.gz SMZLWPQBVPVUMO-TXEJJXNPSA-N -1 1 372.450 2.582 20 30 FFEDMM CCS(=O)(=O)Nc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1C ZINC000614297001 520896461 /nfs/dbraw/zinc/89/64/61/520896461.db2.gz HULYJEYPUSMBOS-UHFFFAOYSA-N -1 1 359.407 2.586 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000614298060 520896496 /nfs/dbraw/zinc/89/64/96/520896496.db2.gz LAONDIIVOOCEFJ-UHFFFAOYSA-N -1 1 355.438 2.565 20 30 FFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000614300583 520898344 /nfs/dbraw/zinc/89/83/44/520898344.db2.gz LAKAYHMJAZTHDQ-SNVBAGLBSA-N -1 1 352.325 2.944 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c(Cl)c1 ZINC000611538115 521209027 /nfs/dbraw/zinc/20/90/27/521209027.db2.gz KTOWNXXTDJXZAR-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)n1 ZINC000593827293 521234851 /nfs/dbraw/zinc/23/48/51/521234851.db2.gz CLJSQUMKYXRWSC-SJKOYZFVSA-N -1 1 366.421 2.865 20 30 FFEDMM CC(C)(C#N)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000611694387 521284743 /nfs/dbraw/zinc/28/47/43/521284743.db2.gz MLVURTHZWJDEKX-UHFFFAOYSA-N -1 1 357.435 2.767 20 30 FFEDMM CCOC(=O)[C@](C)(CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000615894792 521572788 /nfs/dbraw/zinc/57/27/88/521572788.db2.gz WAPCIGRXQNIFGB-HXUWFJFHSA-N -1 1 352.390 2.515 20 30 FFEDMM COCCOCc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462038 521581189 /nfs/dbraw/zinc/58/11/89/521581189.db2.gz UBJMUBUPWNQNHY-UHFFFAOYSA-N -1 1 360.435 2.716 20 30 FFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735419134 598982573 /nfs/dbraw/zinc/98/25/73/598982573.db2.gz PLYIINGZBIJVHQ-UHFFFAOYSA-N -1 1 360.830 2.805 20 30 FFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735419134 598982574 /nfs/dbraw/zinc/98/25/74/598982574.db2.gz PLYIINGZBIJVHQ-UHFFFAOYSA-N -1 1 360.830 2.805 20 30 FFEDMM CN(CC#N)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000736780813 599199929 /nfs/dbraw/zinc/19/99/29/599199929.db2.gz WHIHEQUXIXVDDD-UHFFFAOYSA-N -1 1 368.784 2.908 20 30 FFEDMM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(O)c(CN3CCOCC3)c2)c1 ZINC000774119845 598201586 /nfs/dbraw/zinc/20/15/86/598201586.db2.gz OGTSGNDRXXCONJ-XQRVVYSFSA-N -1 1 367.401 2.819 20 30 FFEDMM CC(C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735571891 598407999 /nfs/dbraw/zinc/40/79/99/598407999.db2.gz LSALDBGGBUKSAQ-UHFFFAOYSA-N -1 1 366.356 2.830 20 30 FFEDMM CC(C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735571891 598408001 /nfs/dbraw/zinc/40/80/01/598408001.db2.gz LSALDBGGBUKSAQ-UHFFFAOYSA-N -1 1 366.356 2.830 20 30 FFEDMM C#Cc1cccc(N(C)C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000735391688 598660048 /nfs/dbraw/zinc/66/00/48/598660048.db2.gz WESPDEZBWGOMFU-UHFFFAOYSA-N -1 1 372.388 2.817 20 30 FFEDMM C#Cc1cccc(N(C)C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000735391688 598660049 /nfs/dbraw/zinc/66/00/49/598660049.db2.gz WESPDEZBWGOMFU-UHFFFAOYSA-N -1 1 372.388 2.817 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000739141909 600489232 /nfs/dbraw/zinc/48/92/32/600489232.db2.gz DIBZHBWYRKZIFR-UHFFFAOYSA-N -1 1 360.391 2.603 20 30 FFEDMM CCN(CCC(=O)[O-])CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000829701789 600821220 /nfs/dbraw/zinc/82/12/20/600821220.db2.gz PVVIDLUKEQCMAE-UHFFFAOYSA-N -1 1 368.437 2.701 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000827217719 601508672 /nfs/dbraw/zinc/50/86/72/601508672.db2.gz IMHCGIHHVXBIJO-MJBXVCDLSA-N -1 1 361.467 2.672 20 30 FFEDMM C=CCc1ccccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823937119 607576241 /nfs/dbraw/zinc/57/62/41/607576241.db2.gz IUPADWASRUXAPG-UHFFFAOYSA-N -1 1 356.407 2.671 20 30 FFEDMM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCC1 ZINC000740304581 602671076 /nfs/dbraw/zinc/67/10/76/602671076.db2.gz WKQMREBDVIYUND-HOTGVXAUSA-N -1 1 357.410 2.543 20 30 FFEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000825272465 604018692 /nfs/dbraw/zinc/01/86/92/604018692.db2.gz LEVPIFWFMYVFRA-WMLDXEAASA-N -1 1 353.426 2.747 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000831066522 604222672 /nfs/dbraw/zinc/22/26/72/604222672.db2.gz XQLXQCXTJXRIBI-JTQLQIEISA-N -1 1 361.741 2.662 20 30 FFEDMM O=C([O-])N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C(=Nn2cnnc2)C1 ZINC000831968788 604417930 /nfs/dbraw/zinc/41/79/30/604417930.db2.gz FVGLVMVJCPPRGA-LBPRGKRZSA-N -1 1 353.304 2.669 20 30 FFEDMM Cc1cc(C(O)=C(C#N)c2nnc3n2CCCCC3)ccc1NC(=O)[O-] ZINC000829903987 605346272 /nfs/dbraw/zinc/34/62/72/605346272.db2.gz DRDCZDDHRPSARS-ZDUSSCGKSA-N -1 1 353.382 2.893 20 30 FFEDMM Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1NC(=O)[O-] ZINC000829903987 605346279 /nfs/dbraw/zinc/34/62/79/605346279.db2.gz DRDCZDDHRPSARS-ZDUSSCGKSA-N -1 1 353.382 2.893 20 30 FFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1NC(C)=O ZINC000821770027 606390667 /nfs/dbraw/zinc/39/06/67/606390667.db2.gz NPOIISSPDSZNKL-GQCTYLIASA-N -1 1 369.406 2.791 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)cc3cccnc32)o1 ZINC000822422815 606836182 /nfs/dbraw/zinc/83/61/82/606836182.db2.gz CUDYUWVVYBOJHO-UHFFFAOYSA-N -1 1 354.761 2.811 20 30 FFEDMM COCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826162508 608092003 /nfs/dbraw/zinc/09/20/03/608092003.db2.gz FLPYFRQTRSZPRB-QPJJXVBHSA-N -1 1 356.407 2.850 20 30 FFEDMM COCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826162508 608092004 /nfs/dbraw/zinc/09/20/04/608092004.db2.gz FLPYFRQTRSZPRB-QPJJXVBHSA-N -1 1 356.407 2.850 20 30 FFEDMM COc1ccccc1NC(=S)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000826220278 608092079 /nfs/dbraw/zinc/09/20/79/608092079.db2.gz IOFYWGLSGLJVAR-UHFFFAOYSA-N -1 1 373.467 2.647 20 30 FFEDMM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826163350 608092520 /nfs/dbraw/zinc/09/25/20/608092520.db2.gz QCLZMYUTZUVYQB-SREVYHEPSA-N -1 1 356.407 2.850 20 30 FFEDMM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826163350 608092521 /nfs/dbraw/zinc/09/25/21/608092521.db2.gz QCLZMYUTZUVYQB-SREVYHEPSA-N -1 1 356.407 2.850 20 30 FFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000826190652 608092578 /nfs/dbraw/zinc/09/25/78/608092578.db2.gz IINUYVXTRJUYHU-DUXPYHPUSA-N -1 1 357.351 2.741 20 30 FFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000826190652 608092579 /nfs/dbraw/zinc/09/25/79/608092579.db2.gz IINUYVXTRJUYHU-DUXPYHPUSA-N -1 1 357.351 2.741 20 30 FFEDMM COCCn1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cn1 ZINC000743429142 735297365 /nfs/dbraw/zinc/29/73/65/735297365.db2.gz CGMDPFIBBSSJDW-UHFFFAOYSA-N -1 1 374.495 2.584 20 30 FFEDMM C=CCn1c(Cc2csc(NC(=O)C3=COCCC3)n2)n[n-]c1=S ZINC000107761648 728517643 /nfs/dbraw/zinc/51/76/43/728517643.db2.gz VBEUWNCTCMYBSD-UHFFFAOYSA-N -1 1 363.468 2.807 20 30 FFEDMM O=C(Oc1c(F)c(F)cc(F)c1F)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000193349771 729475659 /nfs/dbraw/zinc/47/56/59/729475659.db2.gz KQILWCBNWQYTPD-MHTLYPKNSA-N -1 1 359.197 2.606 20 30 FFEDMM O=C(Oc1c(F)c(F)cc(F)c1F)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000193349782 729475952 /nfs/dbraw/zinc/47/59/52/729475952.db2.gz KQILWCBNWQYTPD-FBCQKBJTSA-N -1 1 359.197 2.606 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)ccc1Cl ZINC000194144970 729501100 /nfs/dbraw/zinc/50/11/00/729501100.db2.gz YQZXMKSVWZRMTL-UHFFFAOYSA-N -1 1 373.825 2.652 20 30 FFEDMM N#Cc1cc(C#N)c(SCc2cc(=O)oc3cc([O-])ccc23)nc1N ZINC000194328887 729507453 /nfs/dbraw/zinc/50/74/53/729507453.db2.gz NNZVUNFNTOZTBP-UHFFFAOYSA-N -1 1 350.359 2.511 20 30 FFEDMM C=CCCOCCCCC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856417487 730335368 /nfs/dbraw/zinc/33/53/68/730335368.db2.gz WUJXLKHDWSAJIX-KGLIPLIRSA-N -1 1 364.408 2.665 20 30 FFEDMM CC(=NN1CCOCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863065759 730748875 /nfs/dbraw/zinc/74/88/75/730748875.db2.gz HQLANTXTZCRYOD-UHFFFAOYSA-N -1 1 359.451 2.544 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000775384717 738089355 /nfs/dbraw/zinc/08/93/55/738089355.db2.gz MZMJIZOUYQQDBB-LBPRGKRZSA-N -1 1 362.838 2.892 20 30 FFEDMM O=C(C#CC1CC1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871318282 731619056 /nfs/dbraw/zinc/61/90/56/731619056.db2.gz XTRSBBHHYMHSOV-CYBMUJFWSA-N -1 1 350.340 2.599 20 30 FFEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=N[N-]c1ncncc1Cl ZINC000780281484 738530414 /nfs/dbraw/zinc/53/04/14/738530414.db2.gz MYCBQXTVJFIFOX-UHFFFAOYSA-N -1 1 366.606 2.969 20 30 FFEDMM O=S(=O)(CCOCC(F)(F)F)[N-]c1cc(F)c(F)c(F)c1F ZINC000872402898 731761209 /nfs/dbraw/zinc/76/12/09/731761209.db2.gz PPTCENLVFKRWGL-UHFFFAOYSA-N -1 1 355.231 2.564 20 30 FFEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CCC1 ZINC000872502331 731781957 /nfs/dbraw/zinc/78/19/57/731781957.db2.gz FFKWLRXFXHWRHH-QHCPKHFHSA-N -1 1 369.512 2.668 20 30 FFEDMM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1 ZINC000666199998 732817010 /nfs/dbraw/zinc/81/70/10/732817010.db2.gz JDDDLMRGAOCSRR-CYBMUJFWSA-N -1 1 367.471 2.887 20 30 FFEDMM Cc1cc(Br)c([O-])c(CN2CCN(C3CC3)[C@@H](C#N)C2)c1 ZINC000781914000 738672281 /nfs/dbraw/zinc/67/22/81/738672281.db2.gz VPVQXDOQMXBMCD-AWEZNQCLSA-N -1 1 350.260 2.635 20 30 FFEDMM Cn1nc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)cc1C(F)(F)F ZINC000890008359 734253609 /nfs/dbraw/zinc/25/36/09/734253609.db2.gz DLXQWMFDOSLSJM-UHFFFAOYSA-N -1 1 358.270 2.719 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1sc(C)nc1C ZINC000726737715 734442224 /nfs/dbraw/zinc/44/22/24/734442224.db2.gz BXBBHQBJVUJTSQ-UHFFFAOYSA-N -1 1 368.440 2.512 20 30 FFEDMM Cc1ccc2c(c1)C(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000730946940 734658491 /nfs/dbraw/zinc/65/84/91/734658491.db2.gz VTJSBLRFXQJJBB-UHFFFAOYSA-N -1 1 359.407 2.673 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(OC(F)F)c1 ZINC000734096723 734874034 /nfs/dbraw/zinc/87/40/34/734874034.db2.gz QVLSCSHUPOBVIY-DRDHIDPGSA-N -1 1 352.289 2.525 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(OC(F)F)c1 ZINC000734096726 734874053 /nfs/dbraw/zinc/87/40/53/734874053.db2.gz QVLSCSHUPOBVIY-ZDTYVGOBSA-N -1 1 352.289 2.525 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c(F)c1 ZINC000739668034 735055926 /nfs/dbraw/zinc/05/59/26/735055926.db2.gz GLKWNXBFXITRAU-UHFFFAOYSA-N -1 1 360.345 2.823 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)cc1 ZINC000741657659 735154657 /nfs/dbraw/zinc/15/46/57/735154657.db2.gz VSGVOFIXGSBLCN-UHFFFAOYSA-N -1 1 359.403 2.594 20 30 FFEDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1 ZINC000751031739 735839888 /nfs/dbraw/zinc/83/98/88/735839888.db2.gz FKGGKRNDYMYYCC-SNVBAGLBSA-N -1 1 351.409 2.876 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2nc(-c3ccccc3)cs2)c2ccccc21 ZINC000755639603 736267674 /nfs/dbraw/zinc/26/76/74/736267674.db2.gz JQEASYHXWKANAD-UHFFFAOYSA-N -1 1 368.443 2.883 20 30 FFEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)s1 ZINC000759208943 736555239 /nfs/dbraw/zinc/55/52/39/736555239.db2.gz LBFXQNGTWWTZGI-ZDUSSCGKSA-N -1 1 359.407 2.568 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(Cl)n1 ZINC000760317495 736629035 /nfs/dbraw/zinc/62/90/35/736629035.db2.gz FDWGIXUUHFOFBL-UHFFFAOYSA-N -1 1 359.741 2.694 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000908753751 736827254 /nfs/dbraw/zinc/82/72/54/736827254.db2.gz PFIIFNLAFXIXLZ-HZPDHXFCSA-N -1 1 351.422 2.537 20 30 FFEDMM Cc1ccc2c(c1)OCCCC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000763168695 736909827 /nfs/dbraw/zinc/90/98/27/736909827.db2.gz ZWXONOWRQRXSMQ-UHFFFAOYSA-N -1 1 355.419 2.610 20 30 FFEDMM C#C[C@H](C)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000767441167 737326072 /nfs/dbraw/zinc/32/60/72/737326072.db2.gz ZFHOQDWNRKUNQT-ZDUSSCGKSA-N -1 1 359.407 2.854 20 30 FFEDMM COc1c([O-])c(C=NNc2ccc(Br)nc2)ccc1[N+](=O)[O-] ZINC000773053910 737866821 /nfs/dbraw/zinc/86/68/21/737866821.db2.gz OGVGUHJADXHHNI-UHFFFAOYSA-N -1 1 367.159 2.913 20 30 FFEDMM CC(C)c1cnc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000814822617 741868029 /nfs/dbraw/zinc/86/80/29/741868029.db2.gz VFBLBXVVMSRHSY-UHFFFAOYSA-N -1 1 368.440 2.628 20 30 FFEDMM N#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000785554790 738977054 /nfs/dbraw/zinc/97/70/54/738977054.db2.gz GOWRNXPEZSFLRW-UHFFFAOYSA-N -1 1 368.773 2.960 20 30 FFEDMM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000788916545 739296636 /nfs/dbraw/zinc/29/66/36/739296636.db2.gz MIZNSFNEEMLALF-UHFFFAOYSA-N -1 1 360.366 2.931 20 30 FFEDMM COC(=O)CCc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000794595643 739908665 /nfs/dbraw/zinc/90/86/65/739908665.db2.gz HOCBAPQJKSVVOA-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000795338922 740006013 /nfs/dbraw/zinc/00/60/13/740006013.db2.gz FCTLNMTVSPNJHE-UHFFFAOYSA-N -1 1 366.345 2.814 20 30 FFEDMM CCOC(=O)C1(C([O-])=C(C#N)c2nc(C(C)C)cs2)CCOCC1 ZINC000797092929 740211488 /nfs/dbraw/zinc/21/14/88/740211488.db2.gz AOLVAJLGMDJOMW-GFCCVEGCSA-N -1 1 350.440 2.803 20 30 FFEDMM CCCCCC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)OCC ZINC000804987784 740923327 /nfs/dbraw/zinc/92/33/27/740923327.db2.gz MQYVOYHRZVHKMC-INIZCTEOSA-N -1 1 356.444 2.722 20 30 FFEDMM C#C[C@@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(Cl)cc1F ZINC000806487184 741064079 /nfs/dbraw/zinc/06/40/79/741064079.db2.gz SMPAFGSPMNJZCB-CQSZACIVSA-N -1 1 357.776 2.630 20 30 FFEDMM Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc(C(=O)[O-])cc3O)ccc21 ZINC000806558501 741069037 /nfs/dbraw/zinc/06/90/37/741069037.db2.gz DZLBDLCHKIILFJ-CLTKARDFSA-N -1 1 355.371 2.900 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000810099655 741385659 /nfs/dbraw/zinc/38/56/59/741385659.db2.gz MIWQNIQUZHINRH-GFCCVEGCSA-N -1 1 356.812 2.963 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000811528846 741534607 /nfs/dbraw/zinc/53/46/07/741534607.db2.gz NOOWKJAHBACCCC-HNNXBMFYSA-N -1 1 350.296 2.746 20 30 FFEDMM CS(=O)(=O)N(Cc1ccccc1)N=Cc1c([O-])ccc(Cl)c1F ZINC000814236431 741805309 /nfs/dbraw/zinc/80/53/09/741805309.db2.gz XNAGOGDCSIYTAF-UHFFFAOYSA-N -1 1 356.806 2.980 20 30 FFEDMM COc1ccc(NC(=S)NN=Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000814839879 741869185 /nfs/dbraw/zinc/86/91/85/741869185.db2.gz ZJZWTZPJRAZBOQ-UHFFFAOYSA-N -1 1 354.794 2.909 20 30 FFEDMM C=C(CC)CNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817786049 742213184 /nfs/dbraw/zinc/21/31/84/742213184.db2.gz QGUFGFHWKOPUSJ-CYBMUJFWSA-N -1 1 355.360 2.772 20 30 FFEDMM C=CCn1cc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])nn1 ZINC000818347600 742265668 /nfs/dbraw/zinc/26/56/68/742265668.db2.gz SLPWKTALAXLWFN-VIFPVBQESA-N -1 1 355.211 2.922 20 30 FFEDMM CC(=NNc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962899 743004947 /nfs/dbraw/zinc/00/49/47/743004947.db2.gz RBIUCOIKWMJAFL-UHFFFAOYSA-N -1 1 364.232 2.922 20 30 FFEDMM N#Cc1ccc(N2C[C@@H](C(=O)[N-]OC3CCCCC3)CC2=O)cc1Cl ZINC000829053044 745160745 /nfs/dbraw/zinc/16/07/45/745160745.db2.gz QBUBEPLEMJVQQT-ZDUSSCGKSA-N -1 1 361.829 2.945 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)OCC ZINC000832550359 745717875 /nfs/dbraw/zinc/71/78/75/745717875.db2.gz PJSIJERKSDXWTI-JTQLQIEISA-N -1 1 367.254 2.565 20 30 FFEDMM O=c1nc(N=NC2CCC[C@H]2Cc2ccc(Cl)cc2)nc2[nH][n-]cc1-2 ZINC000834956722 745928097 /nfs/dbraw/zinc/92/80/97/745928097.db2.gz PACGTXWEINGYBM-NSHDSACASA-N -1 1 356.817 2.896 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)o1 ZINC000839046749 746761595 /nfs/dbraw/zinc/76/15/95/746761595.db2.gz AGWHVNFKJHMSDK-NWDGAFQWSA-N -1 1 354.428 2.596 20 30 FFEDMM N#C[C@H](C(=O)[C@@H]1CCC(=O)C1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000842681727 747658624 /nfs/dbraw/zinc/65/86/24/747658624.db2.gz HPTPBWLHZVDRMQ-BXKDBHETSA-N -1 1 355.419 2.821 20 30 FFEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=C[C@H]1CCOC1 ZINC000845844637 748336146 /nfs/dbraw/zinc/33/61/46/748336146.db2.gz JTUPOKSZAJUYRH-MTVLHHSESA-N -1 1 354.225 2.995 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC(=O)Nc3ccccc32)o1 ZINC000824352828 946667204 /nfs/dbraw/zinc/66/72/04/946667204.db2.gz PLVKRPOUXBUVNV-UHFFFAOYSA-N -1 1 366.385 2.527 20 30 FFEDMM C=C[C@@H](CC)CC(=O)N[C@@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573314708 947236167 /nfs/dbraw/zinc/23/61/67/947236167.db2.gz FFTRWWHYIDUEPT-JQWIXIFHSA-N -1 1 363.491 2.541 20 30 FFEDMM C=CC[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3C)C2=O)C1 ZINC000656479619 963650413 /nfs/dbraw/zinc/65/04/13/963650413.db2.gz VMJRZXCVQCQUMQ-WMLDXEAASA-N -1 1 356.422 2.613 20 30 FFEDMM C#C[C@@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000773586969 1013772829 /nfs/dbraw/zinc/77/28/29/1013772829.db2.gz HMDKIGMGSVGFMG-OAHLLOKOSA-N -1 1 371.462 2.651 20 30 FFEDMM N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccccc4O)[C@@H]3C2)c1 ZINC001075564177 973928536 /nfs/dbraw/zinc/92/85/36/973928536.db2.gz GUMFNSCWEIVVLG-HNAYVOBHSA-N -1 1 365.408 2.749 20 30 FFEDMM N#Cc1cc2cccnc2nc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167936219 978194383 /nfs/dbraw/zinc/19/43/83/978194383.db2.gz XNWKVZVWSNYDPO-UHFFFAOYSA-N -1 1 366.317 2.586 20 30 FFEDMM C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001087464109 978259931 /nfs/dbraw/zinc/25/99/31/978259931.db2.gz UEGIJBGONUMQEZ-QZTJIDSGSA-N -1 1 367.424 2.538 20 30 FFEDMM C=CCN1CC[C@@]2(CCN(C(=O)c3c([O-])ccc4ccccc43)C2)C1=O ZINC001271877558 979205873 /nfs/dbraw/zinc/20/58/73/979205873.db2.gz XCUSAYBXDRVMPV-NRFANRHFSA-N -1 1 350.418 2.796 20 30 FFEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)oc1C ZINC000128806813 979942045 /nfs/dbraw/zinc/94/20/45/979942045.db2.gz DAEYKWRYOAFANC-HNNXBMFYSA-N -1 1 353.378 2.559 20 30 FFEDMM C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000909227719 981658423 /nfs/dbraw/zinc/65/84/23/981658423.db2.gz YVWRLPSDXAKLRJ-AWEZNQCLSA-N -1 1 370.457 2.967 20 30 FFEDMM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC001212140298 982004859 /nfs/dbraw/zinc/00/48/59/982004859.db2.gz BFSDJDYIMRQZQJ-LBPRGKRZSA-N -1 1 359.373 2.894 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001007357315 1015191772 /nfs/dbraw/zinc/19/17/72/1015191772.db2.gz OQRPITQUWNOFBY-GKCIPKSASA-N -1 1 357.454 2.500 20 30 FFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000766034510 989296485 /nfs/dbraw/zinc/29/64/85/989296485.db2.gz QHUZTURHTQKIJJ-DJWKRKHSSA-N -1 1 358.262 2.803 20 30 FFEDMM Cc1c(C=NNc2ccc(C(=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000916662698 989889254 /nfs/dbraw/zinc/88/92/54/989889254.db2.gz NUVFRRHSLQHPIU-UHFFFAOYSA-N -1 1 350.378 2.629 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnn(-c2ccccc2)n1 ZINC000916908799 990030545 /nfs/dbraw/zinc/03/05/45/990030545.db2.gz IZXGTELEOUOKRN-CYBMUJFWSA-N -1 1 365.780 2.882 20 30 FFEDMM CN(Cc1cn(C)nc1C(F)(F)F)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598533559 992819091 /nfs/dbraw/zinc/81/90/91/992819091.db2.gz IFTHJGMHYFVWDL-CYBMUJFWSA-N -1 1 352.316 2.568 20 30 FFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000812758511 995529094 /nfs/dbraw/zinc/52/90/94/995529094.db2.gz DDZGJPUAVRRJRI-CYBMUJFWSA-N -1 1 364.405 2.675 20 30 FFEDMM Cn1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1=O ZINC001206084689 1032137390 /nfs/dbraw/zinc/13/73/90/1032137390.db2.gz GBIFPMDPYQYYDC-VCHYOVAHSA-N -1 1 353.407 2.664 20 30 FFEDMM C=CCOCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000679495358 1016079964 /nfs/dbraw/zinc/07/99/64/1016079964.db2.gz MMGROWIYMOMCBB-UHFFFAOYSA-N -1 1 374.462 2.728 20 30 FFEDMM C[C@@H]1CCC[C@@H](NC(=S)NN=C2CCCc3c(C#N)c(=O)[n-]cc32)[C@H]1C ZINC000844569848 997995043 /nfs/dbraw/zinc/99/50/43/997995043.db2.gz SBHMMROFGWXVCF-BFQNTYOBSA-N -1 1 371.510 2.988 20 30 FFEDMM COC(=O)Cc1ccc(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)cc1 ZINC000844606107 998021440 /nfs/dbraw/zinc/02/14/40/998021440.db2.gz QCPREYQWHZVXOW-UHFFFAOYSA-N -1 1 350.378 2.527 20 30 FFEDMM O=C1C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000743418398 999818800 /nfs/dbraw/zinc/81/88/00/999818800.db2.gz DELSIZBVMWSYGU-UHFFFAOYSA-N -1 1 369.337 2.703 20 30 FFEDMM CCN(C)[C@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000745101548 999892958 /nfs/dbraw/zinc/89/29/58/999892958.db2.gz VRYFAOLYCJCGBQ-WBVHZDCISA-N -1 1 371.462 2.864 20 30 FFEDMM CC(C)COc1ccc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000769818085 1000598158 /nfs/dbraw/zinc/59/81/58/1000598158.db2.gz FGQKQABBLVZHGF-UHFFFAOYSA-N -1 1 354.414 2.940 20 30 FFEDMM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(-c2ccncc2)cc1 ZINC000769819984 1000599273 /nfs/dbraw/zinc/59/92/73/1000599273.db2.gz RKASATDZAIUYNQ-UHFFFAOYSA-N -1 1 359.393 2.967 20 30 FFEDMM Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)N([O-])C(=O)C1CC=CC1 ZINC001146691221 1000734475 /nfs/dbraw/zinc/73/44/75/1000734475.db2.gz AFTFYNQHVAHBJC-UHFFFAOYSA-N -1 1 365.752 2.707 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(C#N)ccc1OC ZINC000772270117 1001337544 /nfs/dbraw/zinc/33/75/44/1001337544.db2.gz RMBHIRJQXRBBCX-UHFFFAOYSA-N -1 1 374.418 2.685 20 30 FFEDMM Cc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c2ccccn12 ZINC000786526563 1001597206 /nfs/dbraw/zinc/59/72/06/1001597206.db2.gz FLOPBTAJIAGKMX-OAHLLOKOSA-N -1 1 366.808 2.935 20 30 FFEDMM CC(C)(C)[C@H](O)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001182739616 1002035844 /nfs/dbraw/zinc/03/58/44/1002035844.db2.gz WFDBJUFMGCJQMD-KBSHCFNASA-N -1 1 360.439 2.567 20 30 FFEDMM O=C(CCC(=O)C1=CC=C[CH]1)Nc1n[nH]c2ncc(Br)cc12 ZINC001184240568 1002536898 /nfs/dbraw/zinc/53/68/98/1002536898.db2.gz BUYCPQCXTPJLNO-UHFFFAOYSA-N -1 1 360.191 2.709 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC[C@H](n4cncn4)C3)c2)c1 ZINC001196315446 1003732719 /nfs/dbraw/zinc/73/27/19/1003732719.db2.gz DMNVJYZURHHSOQ-IBGZPJMESA-N -1 1 373.416 3.000 20 30 FFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)cc1 ZINC001191455605 1003850968 /nfs/dbraw/zinc/85/09/68/1003850968.db2.gz HWVCFHJUUCDSNZ-UHFFFAOYSA-N -1 1 362.382 2.869 20 30 FFEDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(C#N)c(C#N)c3)c2)o1 ZINC001192265240 1004109438 /nfs/dbraw/zinc/10/94/38/1004109438.db2.gz FKLRFHAPUPBWDR-UHFFFAOYSA-N -1 1 365.374 2.589 20 30 FFEDMM C=C[C@@](C)(CCOC)C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806020727 1004210128 /nfs/dbraw/zinc/21/01/28/1004210128.db2.gz XJDYLMJWSGRHPH-FQEVSTJZSA-N -1 1 371.437 2.867 20 30 FFEDMM Cc1cnncc1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001192926031 1004328719 /nfs/dbraw/zinc/32/87/19/1004328719.db2.gz LVRLJSKXZVOODA-QGMBQPNBSA-N -1 1 366.406 2.572 20 30 FFEDMM N#CCS(=O)(=O)[N-]c1cc(C(F)(F)F)c(F)cc1Br ZINC001192978709 1004346898 /nfs/dbraw/zinc/34/68/98/1004346898.db2.gz BGLPBLJAZSSTIL-UHFFFAOYSA-N -1 1 361.114 2.872 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1-c1cccc(F)c1 ZINC001193112288 1004377672 /nfs/dbraw/zinc/37/76/72/1004377672.db2.gz QDCRXWKHQUAQLK-NSHDSACASA-N -1 1 350.419 2.963 20 30 FFEDMM C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)OC ZINC001193580171 1004516886 /nfs/dbraw/zinc/51/68/86/1004516886.db2.gz BNZNSNRBVRJKBH-VIFPVBQESA-N -1 1 370.229 2.919 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCCC1 ZINC001198546398 1004668903 /nfs/dbraw/zinc/66/89/03/1004668903.db2.gz JFVLJGHSFCWZMF-UHFFFAOYSA-N -1 1 364.652 2.612 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C(=O)OCC ZINC001194186675 1004675453 /nfs/dbraw/zinc/67/54/53/1004675453.db2.gz IYYIUGNOOYFTNF-CHWSQXEVSA-N -1 1 353.431 2.629 20 30 FFEDMM Cc1c(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)ncn1C ZINC001194849251 1004828658 /nfs/dbraw/zinc/82/86/58/1004828658.db2.gz CIHJFGNSEODKHM-QGMBQPNBSA-N -1 1 368.422 2.516 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2F)CCC1 ZINC001195414106 1004954833 /nfs/dbraw/zinc/95/48/33/1004954833.db2.gz HVGZLESEUOSIQL-UHFFFAOYSA-N -1 1 367.627 2.966 20 30 FFEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)c(O)cc1C ZINC001195377883 1004955783 /nfs/dbraw/zinc/95/57/83/1004955783.db2.gz SCBHIZAQRRMMON-UHFFFAOYSA-N -1 1 374.418 2.722 20 30 FFEDMM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195442499 1004960841 /nfs/dbraw/zinc/96/08/41/1004960841.db2.gz LEIWFRJYIIDTTP-UHFFFAOYSA-N -1 1 355.616 2.822 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c(C#N)c2)cn1 ZINC001195724705 1005022252 /nfs/dbraw/zinc/02/22/52/1005022252.db2.gz NKRLVODOGRFQOQ-UHFFFAOYSA-N -1 1 372.450 2.753 20 30 FFEDMM COC(=O)[C@@H]1Cc2cccc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)c2C1 ZINC001201323400 1005199708 /nfs/dbraw/zinc/19/97/08/1005199708.db2.gz CISZXGOIJPGBJV-CQSZACIVSA-N -1 1 370.430 2.555 20 30 FFEDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccc(OC)cc1C#N ZINC001212786419 1006042061 /nfs/dbraw/zinc/04/20/61/1006042061.db2.gz VIIXFUFUFTYAOS-UHFFFAOYSA-N -1 1 356.407 2.928 20 30 FFEDMM CC(Cc1ccc2c(c1)CCCC2)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000853307581 1006364045 /nfs/dbraw/zinc/36/40/45/1006364045.db2.gz NQAJZJQRADFFDA-UHFFFAOYSA-N -1 1 350.426 2.978 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1sc(-c2ccccc2)nc1C ZINC000814843497 1006447324 /nfs/dbraw/zinc/44/73/24/1006447324.db2.gz XGDBQRCUIWIDCY-UHFFFAOYSA-N -1 1 365.422 2.700 20 30 FFEDMM CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000814848005 1006449488 /nfs/dbraw/zinc/44/94/88/1006449488.db2.gz MGDPLIXVEOREJI-BBRMVZONSA-N -1 1 366.425 2.820 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)N=Nc2nc[nH]n2)cc1 ZINC000814932130 1006471421 /nfs/dbraw/zinc/47/14/21/1006471421.db2.gz QJYFHMCTQLWQQZ-UHFFFAOYSA-N -1 1 370.438 2.750 20 30 FFEDMM CC(=NN[C@@H]1CCOC1)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814917841 1006475650 /nfs/dbraw/zinc/47/56/50/1006475650.db2.gz SXHAUVSAAQLSLI-MRXNPFEDSA-N -1 1 373.478 2.898 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc(F)cc(C(F)(F)F)c1 ZINC001116248674 1032215317 /nfs/dbraw/zinc/21/53/17/1032215317.db2.gz CBJZYZNSILXHLP-UHFFFAOYSA-N -1 1 372.299 2.723 20 30 FFEDMM N#CCCCC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856171056 1007710179 /nfs/dbraw/zinc/71/01/79/1007710179.db2.gz HCURVVRELYZXLO-HUUCEWRRSA-N -1 1 367.371 2.743 20 30 FFEDMM N#Cc1ccc(F)c(F)c1NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190632931 1007729294 /nfs/dbraw/zinc/72/92/94/1007729294.db2.gz PJQCLLSBPINEJV-UHFFFAOYSA-N -1 1 353.288 2.646 20 30 FFEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cnc(-c2ccccn2)nc1O ZINC001190632931 1007729305 /nfs/dbraw/zinc/72/93/05/1007729305.db2.gz PJQCLLSBPINEJV-UHFFFAOYSA-N -1 1 353.288 2.646 20 30 FFEDMM C=CCC1(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001190766619 1007774639 /nfs/dbraw/zinc/77/46/39/1007774639.db2.gz PNMFELVDUISBQD-ZDUSSCGKSA-N -1 1 361.504 2.540 20 30 FFEDMM N#CC1(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000822851368 1008789975 /nfs/dbraw/zinc/78/99/75/1008789975.db2.gz DRLXRFHARLXKDR-CYBMUJFWSA-N -1 1 374.407 2.561 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@@]2(F)C[C@H]2C(=O)OCc2ccccc2)c([O-])c1 ZINC001178861457 1009174878 /nfs/dbraw/zinc/17/48/78/1009174878.db2.gz BUGMRGAQVGKDBS-IFXJQAMLSA-N -1 1 354.337 2.674 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@]2(F)C[C@H]2C(=O)OCc2ccccc2)c([O-])c1 ZINC001178861459 1009174891 /nfs/dbraw/zinc/17/48/91/1009174891.db2.gz BUGMRGAQVGKDBS-LIRRHRJNSA-N -1 1 354.337 2.674 20 30 FFEDMM N#CC1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCC1 ZINC000134763334 1009488396 /nfs/dbraw/zinc/48/83/96/1009488396.db2.gz LXMRAXXMZMZFGQ-UHFFFAOYSA-N -1 1 369.446 2.797 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)C[C@H](CC#N)c2ccccc2)[n-]c1=O ZINC000889785190 1010114552 /nfs/dbraw/zinc/11/45/52/1010114552.db2.gz CFWQCOGBXQWMLN-JKSUJKDBSA-N -1 1 366.421 2.942 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnn(-c2cccc(Cl)c2)n1 ZINC000777302570 1010477346 /nfs/dbraw/zinc/47/73/46/1010477346.db2.gz PPNOHJHZRZJABU-OAHLLOKOSA-N -1 1 365.780 2.882 20 30 FFEDMM N#Cc1cc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)nc(C2CC2)n1 ZINC000866124629 1010933064 /nfs/dbraw/zinc/93/30/64/1010933064.db2.gz CJLRGVRJPVBMGC-UHFFFAOYSA-N -1 1 369.856 2.907 20 30 FFEDMM C=CCNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000801412570 1018956618 /nfs/dbraw/zinc/95/66/18/1018956618.db2.gz MLCZFJZEKQGUPI-CYBMUJFWSA-N -1 1 357.410 2.549 20 30 FFEDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccc(C#N)nc3)CC2)c1[O-] ZINC000801552991 1019107123 /nfs/dbraw/zinc/10/71/23/1019107123.db2.gz XPKMVPHTCIVUTE-UHFFFAOYSA-N -1 1 370.840 2.837 20 30 FFEDMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(CCC#N)cc2)cc1 ZINC000901741830 1019420515 /nfs/dbraw/zinc/42/05/15/1019420515.db2.gz RHHRIRFZWCSDGR-UHFFFAOYSA-N -1 1 371.462 2.622 20 30 FFEDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C2CC2)cc1 ZINC000901973407 1019669671 /nfs/dbraw/zinc/66/96/71/1019669671.db2.gz SYJZKKOYWBQHPS-UHFFFAOYSA-N -1 1 370.430 2.952 20 30 FFEDMM N#Cc1cnc(N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])c(Cl)c1 ZINC001045439041 1019966921 /nfs/dbraw/zinc/96/69/21/1019966921.db2.gz UJVBHIQXQVVMLZ-ZIAGYGMSSA-N -1 1 371.828 2.860 20 30 FFEDMM C=CCn1c(C)cc(C(=O)CN2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)c1C ZINC000934275796 1021182685 /nfs/dbraw/zinc/18/26/85/1021182685.db2.gz BMMAABNCWADQRT-MRXNPFEDSA-N -1 1 370.453 2.815 20 30 FFEDMM CC(C)CN1c2ccccc2C(=NN=c2[n-]c(-c3ccncc3)no2)C1=O ZINC000750948295 1022734992 /nfs/dbraw/zinc/73/49/92/1022734992.db2.gz KYJVYZVUWPQTAH-UHFFFAOYSA-N -1 1 362.393 2.950 20 30 FFEDMM CC(C)CN1c2ccccc2C(=NN=c2nc(-c3ccncc3)[n-]o2)C1=O ZINC000750948295 1022735002 /nfs/dbraw/zinc/73/50/02/1022735002.db2.gz KYJVYZVUWPQTAH-UHFFFAOYSA-N -1 1 362.393 2.950 20 30 FFEDMM C=CC[C@H]1N(c2nnc(-c3c[n-][nH]c3=O)n2CCOC)CCCC1(C)C ZINC001122243705 1023140218 /nfs/dbraw/zinc/14/02/18/1023140218.db2.gz GJRRNDWTEWTPRL-CQSZACIVSA-N -1 1 360.462 2.591 20 30 FFEDMM [O-]N=Cc1cc(Br)cc(Br)c1O[C@H]1C[C@H](O)C1 ZINC001218364043 1033124397 /nfs/dbraw/zinc/12/43/97/1033124397.db2.gz QQLJJJNYXAQXGH-KYZUINATSA-N -1 1 365.021 2.922 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)[C@H](C)c1ccc(OC)cc1 ZINC001121659173 1023908731 /nfs/dbraw/zinc/90/87/31/1023908731.db2.gz CZUWTTLKBRDIHE-GFCCVEGCSA-N -1 1 354.414 2.766 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 ZINC000758146454 1023940906 /nfs/dbraw/zinc/94/09/06/1023940906.db2.gz MKEGOYNWTHOZLL-UHFFFAOYSA-N -1 1 366.442 2.694 20 30 FFEDMM C#C[C@H](C)N(C)c1nnc(-c2cc(Cl)ncc2[O-])n1Cc1cc(C)on1 ZINC001123799776 1024041619 /nfs/dbraw/zinc/04/16/19/1024041619.db2.gz BGQFAMZDYFSJMS-JTQLQIEISA-N -1 1 372.816 2.502 20 30 FFEDMM Cc1cc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(C#N)cc1[N+](=O)[O-] ZINC000840304980 1027040087 /nfs/dbraw/zinc/04/00/87/1027040087.db2.gz ILOXUKLJQOFLRA-LLVKDONJSA-N -1 1 370.331 2.670 20 30 FFEDMM N#Cc1cc(Cl)nc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001159279084 1027334779 /nfs/dbraw/zinc/33/47/79/1027334779.db2.gz JVMKGKVLXVTUDY-UHFFFAOYSA-N -1 1 353.712 2.540 20 30 FFEDMM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC001160252134 1027649750 /nfs/dbraw/zinc/64/97/50/1027649750.db2.gz OOHHCUOSAPWYNZ-CQSZACIVSA-N -1 1 373.409 2.697 20 30 FFEDMM C=CC[C@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(=O)OCC ZINC001154007031 1028104920 /nfs/dbraw/zinc/10/49/20/1028104920.db2.gz LUHAZIQBDAKXMM-HNNXBMFYSA-N -1 1 357.362 2.702 20 30 FFEDMM Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(I)cc1[O-] ZINC001154104465 1028147357 /nfs/dbraw/zinc/14/73/57/1028147357.db2.gz QBVCAMQGWUSMHM-UHFFFAOYSA-N -1 1 367.146 2.757 20 30 FFEDMM CC1(C)c2ccccc2-c2ccc(C(=O)N([O-])C(=N)c3nonc3N)cc21 ZINC001155235399 1028641674 /nfs/dbraw/zinc/64/16/74/1028641674.db2.gz MOYFVEOWVYRERC-UHFFFAOYSA-N -1 1 363.377 2.815 20 30 FFEDMM C=CCCC[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)OC ZINC001155475051 1028752024 /nfs/dbraw/zinc/75/20/24/1028752024.db2.gz KDZMSCTWKZGVRE-LBPRGKRZSA-N -1 1 356.216 2.782 20 30 FFEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1nc(Cl)nc2[nH]ccc21 ZINC001157117412 1029472600 /nfs/dbraw/zinc/47/26/00/1029472600.db2.gz RHWUHVWODOGQJW-UHFFFAOYSA-N -1 1 361.770 2.535 20 30 FFEDMM O=c1nc(N=NCC(Cc2ccccc2)Cc2ccccc2)nc2[nH][n-]cc1-2 ZINC000799112158 1031651395 /nfs/dbraw/zinc/65/13/95/1031651395.db2.gz LRVVWOOPBOFDKO-UHFFFAOYSA-N -1 1 372.432 2.931 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](O/C(=N\[O-])c2cc(F)ccc2F)CC1=O ZINC001223890125 1033627534 /nfs/dbraw/zinc/62/75/34/1033627534.db2.gz PFERAFZSAVXHCR-NSYNCBPISA-N -1 1 356.325 2.653 20 30 FFEDMM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225665669 1034358543 /nfs/dbraw/zinc/35/85/43/1034358543.db2.gz CXERJTOEGUJJIN-LBPRGKRZSA-N -1 1 351.359 2.640 20 30 FFEDMM CC[C@@H](C)OC(=O)N1CCCC[C@@H]1CCOc1nccc(/C=N/[O-])n1 ZINC001226254749 1034595268 /nfs/dbraw/zinc/59/52/68/1034595268.db2.gz CNTWAKJOTWRXDQ-JMPAWAFNSA-N -1 1 350.419 2.843 20 30 FFEDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1ccccc1C#N ZINC001226310247 1034625525 /nfs/dbraw/zinc/62/55/25/1034625525.db2.gz OJPHENMRUUXDPJ-SNVBAGLBSA-N -1 1 357.322 2.884 20 30 FFEDMM C#C[C@@H](Oc1cc([O-])ccc1C(=O)Cc1ccc(OC)cc1)C(=O)OCC ZINC001226544780 1034727326 /nfs/dbraw/zinc/72/73/26/1034727326.db2.gz ZQFUBAFRNICFEF-LJQANCHMSA-N -1 1 368.385 2.770 20 30 FFEDMM COCC(=O)c1ccc([O-])cc1OC1CCN(c2ncccc2C#N)CC1 ZINC001227173528 1034961359 /nfs/dbraw/zinc/96/13/59/1034961359.db2.gz ZLWUXUAXEBDVMI-UHFFFAOYSA-N -1 1 367.405 2.536 20 30 FFEDMM CCOCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)s1 ZINC000835060539 1035496435 /nfs/dbraw/zinc/49/64/35/1035496435.db2.gz FPFSAXLDVAARCQ-CQSZACIVSA-N -1 1 373.434 2.958 20 30 FFEDMM C[C@@H](Oc1ccc([O-])c(C#N)c1C#N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001227619260 1035641004 /nfs/dbraw/zinc/64/10/04/1035641004.db2.gz QJSOUPHLTJDCST-QVKFZJNVSA-N -1 1 363.417 2.804 20 30 FFEDMM CCOC(=O)[C@H]1C[C@@H](Oc2ccc([O-])c(C#N)c2C#N)c2ccccc2O1 ZINC001227622249 1035642506 /nfs/dbraw/zinc/64/25/06/1035642506.db2.gz JVVFORMMYQCXIX-RTBURBONSA-N -1 1 364.357 2.970 20 30 FFEDMM CCOC(=O)[C@@H]1C[C@H](Oc2ccc([O-])c(C#N)c2C#N)c2ccccc2O1 ZINC001227622237 1035642522 /nfs/dbraw/zinc/64/25/22/1035642522.db2.gz JVVFORMMYQCXIX-OALUTQOASA-N -1 1 364.357 2.970 20 30 FFEDMM N#Cc1ccc([O-])c(CN2CCCn3cnc(COCC4CC4)c3C2)c1 ZINC001232676191 1035932369 /nfs/dbraw/zinc/93/23/69/1035932369.db2.gz GUIIQFLDACVSTO-UHFFFAOYSA-N -1 1 352.438 2.793 20 30 FFEDMM CN1[C@@H]2C[C@@H](Oc3cc([O-])ccc3C(=O)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228186654 1035981184 /nfs/dbraw/zinc/98/11/84/1035981184.db2.gz SVFXQLBNXAYDEE-UCAOJJCRSA-N -1 1 351.402 2.614 20 30 FFEDMM N#Cc1ccc2nc(=O)[n-]c(O[C@@H]3CCN(Cc4ccccc4C#N)C3)c2c1 ZINC001234529707 1037074162 /nfs/dbraw/zinc/07/41/62/1037074162.db2.gz DEXVSXVQBTZKCE-QGZVFWFLSA-N -1 1 371.400 2.732 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C#N)c2)cc1 ZINC001258116377 1039187381 /nfs/dbraw/zinc/18/73/81/1039187381.db2.gz LUAAZALCHMJSQY-UHFFFAOYSA-N -1 1 362.208 2.993 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccccc3=O)cc2)cc1 ZINC001258126420 1039202975 /nfs/dbraw/zinc/20/29/75/1039202975.db2.gz LGFDLWJXFBUVFK-UHFFFAOYSA-N -1 1 351.387 2.510 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Br)cnc2F)c1 ZINC001259117954 1039725662 /nfs/dbraw/zinc/72/56/62/1039725662.db2.gz RIGRFFYLHQGQRH-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC001259126480 1039734006 /nfs/dbraw/zinc/73/40/06/1039734006.db2.gz NKXYATHXKXLXQU-UHFFFAOYSA-N -1 1 364.242 2.669 20 30 FFEDMM N#Cc1c(F)cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1F ZINC001259370897 1039950836 /nfs/dbraw/zinc/95/08/36/1039950836.db2.gz VNVXYPYXBBHVPC-UHFFFAOYSA-N -1 1 360.345 2.823 20 30 FFEDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(C)c1 ZINC001259417659 1039987524 /nfs/dbraw/zinc/98/75/24/1039987524.db2.gz NPZAVILOQLKAEU-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-][C@H](c2cccnc2)C(F)(F)F)ccc1F ZINC001259420152 1039989256 /nfs/dbraw/zinc/98/92/56/1039989256.db2.gz VCEULOLXMFJCDR-CYBMUJFWSA-N -1 1 359.304 2.674 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccn2)C(F)(F)F)ccc1F ZINC001259420489 1039990121 /nfs/dbraw/zinc/99/01/21/1039990121.db2.gz QPXHMTBWDIQXAP-ZDUSSCGKSA-N -1 1 359.304 2.674 20 30 FFEDMM COCCOc1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259419037 1039990299 /nfs/dbraw/zinc/99/02/99/1039990299.db2.gz FMNDMHKTWXXRKU-UHFFFAOYSA-N -1 1 368.361 2.662 20 30 FFEDMM C=C1CCC(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC001213652539 1040759811 /nfs/dbraw/zinc/75/98/11/1040759811.db2.gz WPKNSJIBFHYEPI-JOCHJYFZSA-N -1 1 360.476 2.863 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)ccc1O ZINC001260855119 1040856519 /nfs/dbraw/zinc/85/65/19/1040856519.db2.gz LDPKQHQTFQWOLI-UHFFFAOYSA-N -1 1 371.187 2.966 20 30 FFEDMM CCCCCCCC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001216806454 1042128382 /nfs/dbraw/zinc/12/83/82/1042128382.db2.gz PBNKKVFSKGMLCH-BZUAXINKSA-N -1 1 365.522 2.834 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(C)(COC)CC1 ZINC001263288284 1042222511 /nfs/dbraw/zinc/22/25/11/1042222511.db2.gz MXOFSYPVTNALHK-UHFFFAOYSA-N -1 1 365.869 2.546 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2cc(OC)ccc2C1 ZINC001263322345 1042240293 /nfs/dbraw/zinc/24/02/93/1042240293.db2.gz KTVJMALOWGKBJZ-UHFFFAOYSA-N -1 1 366.425 2.521 20 30 FFEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC(F)(F)c1cccc(F)c1 ZINC001309661135 1043473686 /nfs/dbraw/zinc/47/36/86/1043473686.db2.gz VAURFZNWRSCQJJ-UHFFFAOYSA-N -1 1 358.316 2.907 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(C(F)(F)F)cc(Cl)n2)o1 ZINC001309824316 1043542865 /nfs/dbraw/zinc/54/28/65/1043542865.db2.gz FRDJRPSQHMYFEM-UHFFFAOYSA-N -1 1 365.720 2.697 20 30 FFEDMM N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@@H]1F ZINC001309846877 1043553106 /nfs/dbraw/zinc/55/31/06/1043553106.db2.gz NDYBLKJPUKFTEI-DOTOQJQBSA-N -1 1 364.373 2.589 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)cc1 ZINC001318910233 1044934640 /nfs/dbraw/zinc/93/46/40/1044934640.db2.gz VBWOUNBYNHYIOH-UHFFFAOYSA-N -1 1 373.409 2.819 20 30 FFEDMM C=C[C@@H](COC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001320441022 1045408558 /nfs/dbraw/zinc/40/85/58/1045408558.db2.gz AOJQCBGZHUQLOW-INIZCTEOSA-N -1 1 374.462 2.727 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001325075861 1046364419 /nfs/dbraw/zinc/36/44/19/1046364419.db2.gz RPFMICKEYGTQCC-TVQRCGJNSA-N -1 1 351.255 2.648 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)OCC ZINC001325210644 1046417661 /nfs/dbraw/zinc/41/76/61/1046417661.db2.gz UNHQNIOULGDYAD-SNVBAGLBSA-N -1 1 367.254 2.565 20 30 FFEDMM COc1nc(Cl)c(/C=C/C(=O)c2cc(OC)c([O-])c(OC)c2)n1C ZINC001328462229 1048312501 /nfs/dbraw/zinc/31/25/01/1048312501.db2.gz IRHBLJDNNXARCX-AATRIKPKSA-N -1 1 352.774 2.701 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1CCc2c1cccc2Cl ZINC001341793796 1050406065 /nfs/dbraw/zinc/40/60/65/1050406065.db2.gz KRXDXONRCSAXLA-GFCCVEGCSA-N -1 1 360.822 2.635 20 30 FFEDMM Cc1c(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cnn1C1CCCCC1 ZINC001342069021 1050666454 /nfs/dbraw/zinc/66/64/54/1050666454.db2.gz XYGZIDTVEBMTTH-UHFFFAOYSA-N -1 1 372.450 2.576 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCCC[C@H](SC)C1 ZINC001340594587 1050979167 /nfs/dbraw/zinc/97/91/67/1050979167.db2.gz QRPQCAFRCCMABC-JTQLQIEISA-N -1 1 353.883 2.625 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1ccc(F)cc1C ZINC001342533775 1051138100 /nfs/dbraw/zinc/13/81/00/1051138100.db2.gz ZIEWYMNCPLWOMF-HNNXBMFYSA-N -1 1 368.420 2.823 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1ccc(F)cc1C ZINC001342533775 1051138103 /nfs/dbraw/zinc/13/81/03/1051138103.db2.gz ZIEWYMNCPLWOMF-HNNXBMFYSA-N -1 1 368.420 2.823 20 30 FFEDMM C=CCN(c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1CC)C1CC1 ZINC001342869116 1051476943 /nfs/dbraw/zinc/47/69/43/1051476943.db2.gz GLMFTNQTUXKCNP-UHFFFAOYSA-N -1 1 363.425 2.677 20 30 FFEDMM COc1ccc([O-])c(S(=O)(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC001309113507 1052557568 /nfs/dbraw/zinc/55/75/68/1052557568.db2.gz OVOWQUQPVBDOEY-UHFFFAOYSA-N -1 1 360.435 2.872 20 30 FFEDMM C=C(C)CN(CC)c1nnc(-c2nc(Cl)n[n-]2)n1C[C@@H]1CCCCO1 ZINC001344254270 1052659950 /nfs/dbraw/zinc/65/99/50/1052659950.db2.gz OITCJUWOERABQK-LBPRGKRZSA-N -1 1 365.869 2.688 20 30 FFEDMM C#CC[C@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2Cc2cccs2)C1 ZINC001344736549 1052909347 /nfs/dbraw/zinc/90/93/47/1052909347.db2.gz PWKWSGDWNVNXRF-ZDUSSCGKSA-N -1 1 368.466 2.723 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2F)cc1 ZINC001337049129 1054440363 /nfs/dbraw/zinc/44/03/63/1054440363.db2.gz AEFSHFKHCHIBNJ-UHFFFAOYSA-N -1 1 370.203 2.850 20 30 FFEDMM C=CCOCc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CC ZINC001356439314 1055507400 /nfs/dbraw/zinc/50/74/00/1055507400.db2.gz PYGJDEJQDDWMLH-UHFFFAOYSA-N -1 1 370.453 2.806 20 30 FFEDMM Cn1ccnc1C(C#N)=C([O-])c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC001356578067 1055593334 /nfs/dbraw/zinc/59/33/34/1055593334.db2.gz KQNLTWDQHASKEZ-CYBMUJFWSA-N -1 1 367.359 2.863 20 30 FFEDMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)cc2C1 ZINC001350611069 1055863397 /nfs/dbraw/zinc/86/33/97/1055863397.db2.gz NOAHVQYJCZZNJS-UHFFFAOYSA-N -1 1 369.446 2.806 20 30 FFEDMM COc1cc([C@@H](C#N)NC(=O)c2ccc([O-])cc2F)cc(OC)c1OC ZINC001544487014 1071649924 /nfs/dbraw/zinc/64/99/24/1071649924.db2.gz QDGHQMKXHGSJKL-CQSZACIVSA-N -1 1 360.341 2.552 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H]1c1ccc(OC)cc1 ZINC001339691021 1056713549 /nfs/dbraw/zinc/71/35/49/1056713549.db2.gz WGSQKTHVYKDVLH-INIZCTEOSA-N -1 1 366.425 2.910 20 30 FFEDMM C=CCCCN(CC)c1nnc(-c2nc(Cl)n[n-]2)n1C[C@@H]1CCOC1 ZINC001519771235 1059049481 /nfs/dbraw/zinc/04/94/81/1059049481.db2.gz DTBOGCHSALOEQW-LBPRGKRZSA-N -1 1 365.869 2.546 20 30 FFEDMM COc1nsc(C(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c1Br ZINC001454647734 1059593801 /nfs/dbraw/zinc/59/38/01/1059593801.db2.gz XBIUPDUHXHXNIN-UHFFFAOYSA-N -1 1 368.216 2.639 20 30 FFEDMM C#C[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000848291626 1059615288 /nfs/dbraw/zinc/61/52/88/1059615288.db2.gz WSSUMYARXRYUGY-MRXNPFEDSA-N -1 1 368.458 2.973 20 30 FFEDMM COCCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC[C@H](C#N)C1 ZINC001523581721 1062528481 /nfs/dbraw/zinc/52/84/81/1062528481.db2.gz SVBOZVMHOZEPNC-GFCCVEGCSA-N -1 1 361.833 2.690 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2cnc(Cl)cc2C#N)c(=O)[n-]1 ZINC001531034086 1062682624 /nfs/dbraw/zinc/68/26/24/1062682624.db2.gz QAMTVUOOLGZWDP-UHFFFAOYSA-N -1 1 363.830 2.704 20 30 FFEDMM C#CCC1([N-]S(=O)(=O)c2cc(C(=O)OCC)c(Cl)cc2F)CCC1 ZINC001464610598 1062712965 /nfs/dbraw/zinc/71/29/65/1062712965.db2.gz OTBIJXIHQHUBGU-UHFFFAOYSA-N -1 1 373.833 2.880 20 30 FFEDMM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1nc[n-]c1C(=O)c1ccccc1 ZINC001469796182 1064211972 /nfs/dbraw/zinc/21/19/72/1064211972.db2.gz UJERBHVEJYLNPU-UHFFFAOYSA-N -1 1 370.372 2.949 20 30 FFEDMM Cc1ccc(C2(CNc3cnc(C#N)c(-c4nn[n-]n4)n3)CCC2)cc1C ZINC001581182512 1078929611 /nfs/dbraw/zinc/92/96/11/1078929611.db2.gz HFDKFWMHJUKRDE-UHFFFAOYSA-N -1 1 360.425 2.679 20 30 FFEDMM C=C[C@](C)(CCOC)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001557811009 1075894358 /nfs/dbraw/zinc/89/43/58/1075894358.db2.gz WFYZWFYNJJRLTH-LJQANCHMSA-N -1 1 366.889 2.919 20 30 FFEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)o1 ZINC001561269518 1076355011 /nfs/dbraw/zinc/35/50/11/1076355011.db2.gz IWRSXNHQDUXBHM-OAHLLOKOSA-N -1 1 366.414 2.827 20 30 FFEDMM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1F ZINC001561713819 1076411527 /nfs/dbraw/zinc/41/15/27/1076411527.db2.gz BBUKFMIRGYFJAJ-QLJPJBMISA-N -1 1 368.817 2.751 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2C=CCC2)cc1Br ZINC001561872819 1076437408 /nfs/dbraw/zinc/43/74/08/1076437408.db2.gz IGOAZRIWOTVNIB-VIFPVBQESA-N -1 1 359.220 2.704 20 30 FFEDMM C#C[C@@H](NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC001564998362 1076677165 /nfs/dbraw/zinc/67/71/65/1076677165.db2.gz XHBHANYGRUUBEX-CFVMTHIKSA-N -1 1 367.371 2.602 20 30 FFEDMM C=CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001573351979 1077678541 /nfs/dbraw/zinc/67/85/41/1077678541.db2.gz ZKZYDYVGLTVLLA-KFWWJZLASA-N -1 1 370.371 2.552 20 30 FFEDMM Brc1ccc(NN=Cc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001588320759 1079976858 /nfs/dbraw/zinc/97/68/58/1079976858.db2.gz YNUSYKIJRCUKAS-UHFFFAOYSA-N -1 1 350.205 2.532 20 30 FFEDMM Brc1ccc(NN=Cc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001588320759 1079976863 /nfs/dbraw/zinc/97/68/63/1079976863.db2.gz YNUSYKIJRCUKAS-UHFFFAOYSA-N -1 1 350.205 2.532 20 30 FFEDMM C=CCCC(=O)N[C@H](C)CCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588570730 1080102615 /nfs/dbraw/zinc/10/26/15/1080102615.db2.gz CLYGTJXMDUUUCT-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCC(=O)Nc1ccc(COC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001588575890 1080105021 /nfs/dbraw/zinc/10/50/21/1080105021.db2.gz BVSACSASQKWRQU-UHFFFAOYSA-N -1 1 367.365 2.721 20 30 FFEDMM C=CCCC(=O)Nc1ccc(COC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001588575890 1080105023 /nfs/dbraw/zinc/10/50/23/1080105023.db2.gz BVSACSASQKWRQU-UHFFFAOYSA-N -1 1 367.365 2.721 20 30 FFEDMM C=CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588585970 1080110237 /nfs/dbraw/zinc/11/02/37/1080110237.db2.gz AKIBUZNBEZCZRO-DTWKUNHWSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCOc1ccc(OS(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)cc1 ZINC001588689208 1080155916 /nfs/dbraw/zinc/15/59/16/1080155916.db2.gz ALOJSOYKAGVYNW-UHFFFAOYSA-N -1 1 372.406 2.508 20 30 FFEDMM CC(=O)[C@@](C#N)(CCSc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001588782048 1080193698 /nfs/dbraw/zinc/19/36/98/1080193698.db2.gz OTXBPCIZCHGFSF-SFHVURJKSA-N -1 1 364.434 2.794 20 30 FFEDMM CC(=O)[C@@](C#N)(CCSc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001588782048 1080193701 /nfs/dbraw/zinc/19/37/01/1080193701.db2.gz OTXBPCIZCHGFSF-SFHVURJKSA-N -1 1 364.434 2.794 20 30 FFEDMM CC(C)(C#N)CC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001589034256 1080316015 /nfs/dbraw/zinc/31/60/15/1080316015.db2.gz VGRYWSXDNMNAGL-UHFFFAOYSA-N -1 1 363.381 2.932 20 30 FFEDMM CC(C)(C#N)CC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001589034256 1080316019 /nfs/dbraw/zinc/31/60/19/1080316019.db2.gz VGRYWSXDNMNAGL-UHFFFAOYSA-N -1 1 363.381 2.932 20 30 FFEDMM CC(C)CCNC(=S)NN=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl ZINC001589601633 1080629632 /nfs/dbraw/zinc/62/96/32/1080629632.db2.gz BLLWDVRVYRHSHP-UHFFFAOYSA-N -1 1 369.857 2.503 20 30 FFEDMM CC(C)CCNC(=S)NN=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl ZINC001589601633 1080629634 /nfs/dbraw/zinc/62/96/34/1080629634.db2.gz BLLWDVRVYRHSHP-UHFFFAOYSA-N -1 1 369.857 2.503 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(COCC(F)(F)F)cc2)o1 ZINC000286751970 257053184 /nfs/dbraw/zinc/05/31/84/257053184.db2.gz UWGGMHRWKLKRSO-UHFFFAOYSA-N -1 1 374.340 2.709 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000287978932 257135183 /nfs/dbraw/zinc/13/51/83/257135183.db2.gz YNDZAKVSSWGALS-ZFWWWQNUSA-N -1 1 352.799 2.613 20 30 FFEDMM N#Cc1nccnc1NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000301149813 258029537 /nfs/dbraw/zinc/02/95/37/258029537.db2.gz CPPVSTHCWIAFFX-UHFFFAOYSA-N -1 1 365.418 2.761 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366703550 512148810 /nfs/dbraw/zinc/14/88/10/512148810.db2.gz PYHCKFZSXZBTAX-FXAWDEMLSA-N -1 1 372.465 2.978 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1Cl ZINC000410421839 512257891 /nfs/dbraw/zinc/25/78/91/512257891.db2.gz WOOOVGLPOBTFEB-UHFFFAOYSA-N -1 1 361.810 2.749 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(CC#N)C2CC2)cc1 ZINC000067686943 506976695 /nfs/dbraw/zinc/97/66/95/506976695.db2.gz XMTRDJCAIJIIRT-UHFFFAOYSA-N -1 1 369.446 2.924 20 30 FFEDMM CCCN(CC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000056484497 507025704 /nfs/dbraw/zinc/02/57/04/507025704.db2.gz HMPLQPJJCLUDPX-UHFFFAOYSA-N -1 1 357.435 2.863 20 30 FFEDMM CCOc1cc(C(=O)[N-]c2snc(C)c2C#N)c([N+](=O)[O-])cc1OC ZINC000410807627 512380241 /nfs/dbraw/zinc/38/02/41/512380241.db2.gz IPLXKPWIMBTKBE-UHFFFAOYSA-N -1 1 362.367 2.891 20 30 FFEDMM CCCc1cc(=O)[n-]c(S[C@@H]2CCN(c3sccc3C#N)C2=O)n1 ZINC000083090547 508236754 /nfs/dbraw/zinc/23/67/54/508236754.db2.gz ANAKAMQIVVODEI-GFCCVEGCSA-N -1 1 360.464 2.553 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CN2CCCC2=O)cc1 ZINC000114673577 508335530 /nfs/dbraw/zinc/33/55/30/508335530.db2.gz KMOJNWFVXSBPJF-UHFFFAOYSA-N -1 1 369.446 2.790 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC(C)C)cc1 ZINC000114673661 508335719 /nfs/dbraw/zinc/33/57/19/508335719.db2.gz LVDSQIMTBYWYDY-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)c1 ZINC000115312178 508383876 /nfs/dbraw/zinc/38/38/76/508383876.db2.gz CMGXMNACQXZHEA-UHFFFAOYSA-N -1 1 372.446 2.961 20 30 FFEDMM N#Cc1ccsc1NC(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000121949250 508454514 /nfs/dbraw/zinc/45/45/14/508454514.db2.gz RTRXRVLCUOVMOS-UHFFFAOYSA-N -1 1 369.446 2.859 20 30 FFEDMM CCC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000116488174 508520027 /nfs/dbraw/zinc/52/00/27/508520027.db2.gz SLNFNXTZGGZWSY-MRXNPFEDSA-N -1 1 357.435 2.909 20 30 FFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122729364 508579355 /nfs/dbraw/zinc/57/93/55/508579355.db2.gz ALWBDHXLRBNCKT-UHFFFAOYSA-N -1 1 355.419 2.897 20 30 FFEDMM CCc1nc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)co1 ZINC000122851746 508596522 /nfs/dbraw/zinc/59/65/22/508596522.db2.gz WURFLSMCSAEPLN-SNVBAGLBSA-N -1 1 368.418 2.904 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000120143704 508936953 /nfs/dbraw/zinc/93/69/53/508936953.db2.gz MHBQMCVUSGYPPO-CQSZACIVSA-N -1 1 361.398 2.658 20 30 FFEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3cccc(C#N)c3)nc(=O)c2c1C ZINC000155445798 509002696 /nfs/dbraw/zinc/00/26/96/509002696.db2.gz LBFWGSVNSYUNPI-ZDUSSCGKSA-N -1 1 363.402 2.719 20 30 FFEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000155445236 509002907 /nfs/dbraw/zinc/00/29/07/509002907.db2.gz CNDLPDDBLOQMDK-ZDUSSCGKSA-N -1 1 363.402 2.719 20 30 FFEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)NCc3ccccc3)nc(=O)c2c1C ZINC000155449630 509003563 /nfs/dbraw/zinc/00/35/63/509003563.db2.gz QGLPPXRIADODGQ-CYBMUJFWSA-N -1 1 352.419 2.525 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(CCC#N)CCC(C)C ZINC000264082387 509321295 /nfs/dbraw/zinc/32/12/95/509321295.db2.gz QJGKFDCCVHICNO-UHFFFAOYSA-N -1 1 367.453 2.884 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1[O-] ZINC000189168840 509447164 /nfs/dbraw/zinc/44/71/64/509447164.db2.gz AAEVGWDPFLOQNX-OAHLLOKOSA-N -1 1 373.771 2.592 20 30 FFEDMM COc1cc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1C ZINC000177132915 509892189 /nfs/dbraw/zinc/89/21/89/509892189.db2.gz ICJWVLMBEBAYDE-UHFFFAOYSA-N -1 1 352.362 2.632 20 30 FFEDMM C[C@H](CC#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000171284644 510055475 /nfs/dbraw/zinc/05/54/75/510055475.db2.gz YIPZITWUAWOTBL-SNVBAGLBSA-N -1 1 359.332 2.955 20 30 FFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000181091579 510273265 /nfs/dbraw/zinc/27/32/65/510273265.db2.gz QZCGTZOJNUXUFI-UHFFFAOYSA-N -1 1 361.398 2.640 20 30 FFEDMM C=CCn1c(-c2sc(NC(=O)C(C)(C)OC)nc2C)n[n-]c1=S ZINC000171763450 510356193 /nfs/dbraw/zinc/35/61/93/510356193.db2.gz NLTHRNIJFNUECA-UHFFFAOYSA-N -1 1 353.473 2.922 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)cc1F ZINC000191030193 510473120 /nfs/dbraw/zinc/47/31/20/510473120.db2.gz UUBODIWUBYAPQC-UHFFFAOYSA-N -1 1 362.430 2.912 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)cc3C#N)CCCCC2)no1 ZINC000269680771 510510398 /nfs/dbraw/zinc/51/03/98/510510398.db2.gz SITSESAOONJZBS-UHFFFAOYSA-N -1 1 364.402 2.527 20 30 FFEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2cccnc2)no1 ZINC000187940283 510511762 /nfs/dbraw/zinc/51/17/62/510511762.db2.gz CPZQAVWOFJLQCJ-MRXNPFEDSA-N -1 1 363.377 2.836 20 30 FFEDMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000194800548 510533634 /nfs/dbraw/zinc/53/36/34/510533634.db2.gz RWDVATZVIBYESI-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000188084607 510585125 /nfs/dbraw/zinc/58/51/25/510585125.db2.gz PLZBEASYAOOQEO-CYBMUJFWSA-N -1 1 356.451 2.760 20 30 FFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000188377074 510736655 /nfs/dbraw/zinc/73/66/55/510736655.db2.gz JQPFBWPNWWWVFF-INIZCTEOSA-N -1 1 369.808 2.795 20 30 FFEDMM C[C@H](CC#N)N(C)S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000285511569 510937292 /nfs/dbraw/zinc/93/72/92/510937292.db2.gz GAYFKAGGDGMIMM-SNVBAGLBSA-N -1 1 351.806 2.500 20 30 FFEDMM COC(=O)c1cnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)[n-]1 ZINC000278745756 511006581 /nfs/dbraw/zinc/00/65/81/511006581.db2.gz VYXCRKGNQVINAX-CYBMUJFWSA-N -1 1 372.450 2.932 20 30 FFEDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)n1 ZINC000278745756 511006585 /nfs/dbraw/zinc/00/65/85/511006585.db2.gz VYXCRKGNQVINAX-CYBMUJFWSA-N -1 1 372.450 2.932 20 30 FFEDMM C=CCOc1ccccc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291077365 511158681 /nfs/dbraw/zinc/15/86/81/511158681.db2.gz JMFGXZLMRGGZDP-CYBMUJFWSA-N -1 1 370.371 2.782 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1 ZINC000279889800 511255118 /nfs/dbraw/zinc/25/51/18/511255118.db2.gz HZQUFFNEUULSAA-UHFFFAOYSA-N -1 1 369.446 2.789 20 30 FFEDMM CN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000301947020 511703106 /nfs/dbraw/zinc/70/31/06/511703106.db2.gz XTEGGZYZDLCPTO-UHFFFAOYSA-N -1 1 361.398 2.612 20 30 FFEDMM C[C@@H](CC#N)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364134658 511976660 /nfs/dbraw/zinc/97/66/60/511976660.db2.gz OLTDIPANOAUTCV-SUMWQHHRSA-N -1 1 351.406 2.568 20 30 FFEDMM Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000281970115 512032005 /nfs/dbraw/zinc/03/20/05/512032005.db2.gz LPLRXXLUWXMTFF-UHFFFAOYSA-N -1 1 371.462 2.699 20 30 FFEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])[nH]n2)o1 ZINC000446625153 513298146 /nfs/dbraw/zinc/29/81/46/513298146.db2.gz RVZXLXPURPNKIL-UHFFFAOYSA-N -1 1 373.350 2.559 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2ccc(=O)n(C)c2c1 ZINC000447279735 513434639 /nfs/dbraw/zinc/43/46/39/513434639.db2.gz SPEBVVJWYPQEME-UHFFFAOYSA-N -1 1 353.403 2.519 20 30 FFEDMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435699553 513662520 /nfs/dbraw/zinc/66/25/20/513662520.db2.gz YOQGRWNKZLKYDQ-UHFFFAOYSA-N -1 1 374.418 2.693 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)ccc1C#N ZINC000435732760 513671413 /nfs/dbraw/zinc/67/14/13/513671413.db2.gz QOCMUKONNQXGQW-QHCPKHFHSA-N -1 1 362.476 2.854 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)ccc1C#N ZINC000435749810 513675931 /nfs/dbraw/zinc/67/59/31/513675931.db2.gz VWUCFAWCHKHDBM-UHFFFAOYSA-N -1 1 355.419 2.794 20 30 FFEDMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435756348 513678065 /nfs/dbraw/zinc/67/80/65/513678065.db2.gz QEPSDOWEMHBBJZ-UHFFFAOYSA-N -1 1 357.435 2.807 20 30 FFEDMM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000442234926 513688014 /nfs/dbraw/zinc/68/80/14/513688014.db2.gz PTQSYIHWYLLOBN-UHFFFAOYSA-N -1 1 370.434 2.506 20 30 FFEDMM COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000442903385 513809727 /nfs/dbraw/zinc/80/97/27/513809727.db2.gz YJSAEICVLSWEFA-UHFFFAOYSA-N -1 1 364.401 2.611 20 30 FFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000442955775 513826885 /nfs/dbraw/zinc/82/68/85/513826885.db2.gz MPOXXUJNZABOSB-LJQANCHMSA-N -1 1 364.380 2.998 20 30 FFEDMM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000442959890 513829104 /nfs/dbraw/zinc/82/91/04/513829104.db2.gz AFOOJXZVDPDLJK-MRXNPFEDSA-N -1 1 367.430 2.726 20 30 FFEDMM N#Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)cc1[O-] ZINC000442968522 513830845 /nfs/dbraw/zinc/83/08/45/513830845.db2.gz RBFQCYQEFAQVAY-HNNXBMFYSA-N -1 1 371.393 2.557 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C(=O)OCC ZINC000451984249 514109535 /nfs/dbraw/zinc/10/95/35/514109535.db2.gz CWADSUSJGYLACY-OLZOCXBDSA-N -1 1 353.431 2.629 20 30 FFEDMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000427211299 514150634 /nfs/dbraw/zinc/15/06/34/514150634.db2.gz WDNOUPHDSGJTBI-UHFFFAOYSA-N -1 1 374.418 2.601 20 30 FFEDMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000427258944 514165557 /nfs/dbraw/zinc/16/55/57/514165557.db2.gz UZJWCUXUFZAUNT-UHFFFAOYSA-N -1 1 374.418 2.601 20 30 FFEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466356046 514619504 /nfs/dbraw/zinc/61/95/04/514619504.db2.gz XSNIHOYYOKEBNC-UHFFFAOYSA-N -1 1 360.391 2.764 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(Cc2cccc(F)c2)n[nH]1 ZINC000508140695 514685399 /nfs/dbraw/zinc/68/53/99/514685399.db2.gz AQWUTSVZIZDMCL-UHFFFAOYSA-N -1 1 371.397 2.516 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476060819 514903530 /nfs/dbraw/zinc/90/35/30/514903530.db2.gz KYOFFVJMPKXPQL-MRXNPFEDSA-N -1 1 363.421 2.756 20 30 FFEDMM CC(=O)Nc1cc(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)ccc1[O-] ZINC000481609455 515400949 /nfs/dbraw/zinc/40/09/49/515400949.db2.gz GWCFDEWDCSODSZ-UHFFFAOYSA-N -1 1 373.434 2.768 20 30 FFEDMM Cc1cn(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)c(=O)[nH]1 ZINC000478697442 515930051 /nfs/dbraw/zinc/93/00/51/515930051.db2.gz HWZMWQWTSMSJDA-UHFFFAOYSA-N -1 1 354.391 2.559 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1 ZINC000460821737 516258179 /nfs/dbraw/zinc/25/81/79/516258179.db2.gz JJEPWPZCZVDKPU-UHFFFAOYSA-N -1 1 369.446 2.895 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3F)CCCCC2)no1 ZINC000523574172 516509223 /nfs/dbraw/zinc/50/92/23/516509223.db2.gz SRXKVBIWTYKYDK-UHFFFAOYSA-N -1 1 364.402 2.527 20 30 FFEDMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000513397507 516604986 /nfs/dbraw/zinc/60/49/86/516604986.db2.gz VJHBAIFFDRBFON-CYBMUJFWSA-N -1 1 373.434 2.641 20 30 FFEDMM Cc1ncncc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000513653554 516707400 /nfs/dbraw/zinc/70/74/00/516707400.db2.gz GBBRTXRWBMNEQA-LLVKDONJSA-N -1 1 365.418 2.864 20 30 FFEDMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc(C#N)cc2C)n[n-]1 ZINC000552007989 517024511 /nfs/dbraw/zinc/02/45/11/517024511.db2.gz AEEZANPPINXEEK-OAHLLOKOSA-N -1 1 369.425 2.679 20 30 FFEDMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc(C#N)cc2C)[n-]1 ZINC000552007989 517024519 /nfs/dbraw/zinc/02/45/19/517024519.db2.gz AEEZANPPINXEEK-OAHLLOKOSA-N -1 1 369.425 2.679 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc(C#N)cc2C)n1 ZINC000552007989 517024531 /nfs/dbraw/zinc/02/45/31/517024531.db2.gz AEEZANPPINXEEK-OAHLLOKOSA-N -1 1 369.425 2.679 20 30 FFEDMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)CC1(C#N)CCCC1 ZINC000548591426 517070127 /nfs/dbraw/zinc/07/01/27/517070127.db2.gz JMNSNMBQVFZLKD-UHFFFAOYSA-N -1 1 366.439 2.538 20 30 FFEDMM Cc1nc([C@](C)([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C2CC2)no1 ZINC000562411429 517089320 /nfs/dbraw/zinc/08/93/20/517089320.db2.gz DZPKXMWFMCVKGA-OAHLLOKOSA-N -1 1 366.830 2.507 20 30 FFEDMM N#CCc1ccc(OC[C@@H](O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000515312655 517293372 /nfs/dbraw/zinc/29/33/72/517293372.db2.gz OUUJDDZXPKQTAM-CQSZACIVSA-N -1 1 357.435 2.658 20 30 FFEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2c([O-])cccc2F)CC1 ZINC000526122077 517355277 /nfs/dbraw/zinc/35/52/77/517355277.db2.gz RFDCJOLAILLSQH-UHFFFAOYSA-N -1 1 355.369 2.918 20 30 FFEDMM COc1cc(C#N)ccc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000546004241 517485453 /nfs/dbraw/zinc/48/54/53/517485453.db2.gz QJVMFZQYZCTTLE-UHFFFAOYSA-N -1 1 358.423 2.664 20 30 FFEDMM Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)o1 ZINC000527586748 517775048 /nfs/dbraw/zinc/77/50/48/517775048.db2.gz UAUWFZKETSYRIU-UHFFFAOYSA-N -1 1 367.405 2.508 20 30 FFEDMM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000530547169 517844136 /nfs/dbraw/zinc/84/41/36/517844136.db2.gz CBMVTXRNEOBCFQ-UHFFFAOYSA-N -1 1 360.366 2.931 20 30 FFEDMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000581749282 518436782 /nfs/dbraw/zinc/43/67/82/518436782.db2.gz MWVVQJRMLZLBSF-JTQLQIEISA-N -1 1 354.325 2.941 20 30 FFEDMM CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000577091144 518911434 /nfs/dbraw/zinc/91/14/34/518911434.db2.gz IRAGTUUENHFIRS-UHFFFAOYSA-N -1 1 374.418 2.773 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)o1 ZINC000573951842 518915190 /nfs/dbraw/zinc/91/51/90/518915190.db2.gz CUZXSLDNOXQXJS-UHFFFAOYSA-N -1 1 365.374 2.890 20 30 FFEDMM COC(=O)CCCOc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589181349 518941590 /nfs/dbraw/zinc/94/15/90/518941590.db2.gz PUFLBIBNIHPOMB-UHFFFAOYSA-N -1 1 368.389 2.526 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)c1 ZINC000589179920 518942667 /nfs/dbraw/zinc/94/26/67/518942667.db2.gz ITFFUZOQVXAHSM-HNNXBMFYSA-N -1 1 371.387 2.936 20 30 FFEDMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cccc(CC#N)c2)n[n-]1 ZINC000581050282 519495024 /nfs/dbraw/zinc/49/50/24/519495024.db2.gz PQJKJVWXZNRLGZ-OAHLLOKOSA-N -1 1 369.425 2.565 20 30 FFEDMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cccc(CC#N)c2)[n-]1 ZINC000581050282 519495034 /nfs/dbraw/zinc/49/50/34/519495034.db2.gz PQJKJVWXZNRLGZ-OAHLLOKOSA-N -1 1 369.425 2.565 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cccc(CC#N)c2)n1 ZINC000581050282 519495042 /nfs/dbraw/zinc/49/50/42/519495042.db2.gz PQJKJVWXZNRLGZ-OAHLLOKOSA-N -1 1 369.425 2.565 20 30 FFEDMM C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000581271527 519607690 /nfs/dbraw/zinc/60/76/90/519607690.db2.gz CZXRADQYMANYFU-KDOFPFPSSA-N -1 1 373.453 2.639 20 30 FFEDMM C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000581271529 519608279 /nfs/dbraw/zinc/60/82/79/519608279.db2.gz CZXRADQYMANYFU-RDTXWAMCSA-N -1 1 373.453 2.639 20 30 FFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594480629 519989297 /nfs/dbraw/zinc/98/92/97/519989297.db2.gz CKNGMTXSKYWBKA-UHFFFAOYSA-N -1 1 374.418 2.686 20 30 FFEDMM CSc1nc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc(=O)[n-]1 ZINC000603153455 520116888 /nfs/dbraw/zinc/11/68/88/520116888.db2.gz UHSFRNOEDRMPOG-UHFFFAOYSA-N -1 1 360.414 2.509 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)CCCC1 ZINC000594817871 520171446 /nfs/dbraw/zinc/17/14/46/520171446.db2.gz FPFBNZPYOIBXJV-ZDUSSCGKSA-N -1 1 368.421 2.880 20 30 FFEDMM C[C@H]1CN(Cc2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)C[C@H](C)O1 ZINC000614294109 520895132 /nfs/dbraw/zinc/89/51/32/520895132.db2.gz SMZLWPQBVPVUMO-RYUDHWBXSA-N -1 1 372.450 2.582 20 30 FFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CC ZINC000601979646 521054384 /nfs/dbraw/zinc/05/43/84/521054384.db2.gz RDKABJMSAXILDP-ZDUSSCGKSA-N -1 1 365.455 2.502 20 30 FFEDMM CC(C)n1cc(C2=CCCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)nn1 ZINC000594370452 521579854 /nfs/dbraw/zinc/57/98/54/521579854.db2.gz MBEVNQPWVSPZSV-UHFFFAOYSA-N -1 1 351.410 2.756 20 30 FFEDMM C=CC[C@@H]1CCCN(C(=O)c2c[n-]c3cc(OC)cc(OC)c3c2=O)C1 ZINC000628063071 523315505 /nfs/dbraw/zinc/31/55/05/523315505.db2.gz YMXNVYVFTYRGLL-CYBMUJFWSA-N -1 1 356.422 2.974 20 30 FFEDMM C=CC[C@H]1CCCN(C(=O)c2c[n-]c3cc(OC)cc(OC)c3c2=O)C1 ZINC000628063072 523315808 /nfs/dbraw/zinc/31/58/08/523315808.db2.gz YMXNVYVFTYRGLL-ZDUSSCGKSA-N -1 1 356.422 2.974 20 30 FFEDMM CN=c1scc(-c2ccccc2F)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000736868051 599324459 /nfs/dbraw/zinc/32/44/59/599324459.db2.gz NHUPUTMNGLITII-UHFFFAOYSA-N -1 1 369.385 2.542 20 30 FFEDMM CN=c1scc(-c2ccccc2F)n1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000736868051 599324464 /nfs/dbraw/zinc/32/44/64/599324464.db2.gz NHUPUTMNGLITII-UHFFFAOYSA-N -1 1 369.385 2.542 20 30 FFEDMM N#Cc1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1Cl ZINC000826385696 607865614 /nfs/dbraw/zinc/86/56/14/607865614.db2.gz XEGXFLKPXLWLTA-UHFFFAOYSA-N -1 1 372.747 2.548 20 30 FFEDMM N#Cc1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1Cl ZINC000826385696 607865615 /nfs/dbraw/zinc/86/56/15/607865615.db2.gz XEGXFLKPXLWLTA-UHFFFAOYSA-N -1 1 372.747 2.548 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736199675 600292362 /nfs/dbraw/zinc/29/23/62/600292362.db2.gz LEHRSFMASHIENW-RHSMWYFYSA-N -1 1 373.428 2.648 20 30 FFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000736076676 600899307 /nfs/dbraw/zinc/89/93/07/600899307.db2.gz SHWVPXRMDHEVGI-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000736075762 600899652 /nfs/dbraw/zinc/89/96/52/600899652.db2.gz GRTNHCJOTUFAJH-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM N#C[C@@H](c1ccc(F)cc1)N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833065133 601139704 /nfs/dbraw/zinc/13/97/04/601139704.db2.gz SPBRFFGMZOIOHV-RBUKOAKNSA-N -1 1 353.397 2.834 20 30 FFEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(O[C@@H]2CCOC2)c1 ZINC000832933396 602149828 /nfs/dbraw/zinc/14/98/28/602149828.db2.gz ADNIWIIJDKJIEJ-QUCCMNQESA-N -1 1 366.417 2.950 20 30 FFEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(O[C@H]2CCOC2)c1 ZINC000832934079 602150054 /nfs/dbraw/zinc/15/00/54/602150054.db2.gz OLWGBHGFLVCBSO-ICSRJNTNSA-N -1 1 366.417 2.950 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738491565 602529814 /nfs/dbraw/zinc/52/98/14/602529814.db2.gz KICRUWNXLGULRB-GJZGRUSLSA-N -1 1 365.499 2.583 20 30 FFEDMM CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCC(NC(=O)[O-])CC1 ZINC000828427181 603787036 /nfs/dbraw/zinc/78/70/36/603787036.db2.gz XBGQXTWFJYYENQ-UHFFFAOYSA-N -1 1 355.398 2.619 20 30 FFEDMM C=CCSc1ccccc1NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000823521335 603992802 /nfs/dbraw/zinc/99/28/02/603992802.db2.gz BBGJFPQACHBTBC-UHFFFAOYSA-N -1 1 363.483 2.977 20 30 FFEDMM Cc1cc(C(C#N)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)nc(C)n1 ZINC000829981517 604219300 /nfs/dbraw/zinc/21/93/00/604219300.db2.gz XYFMTGUAGQXGKU-NUTKFTJISA-N -1 1 352.394 2.915 20 30 FFEDMM N#CCCn1cc(CN2CCCN(C(=O)[O-])CC2)c(-c2ccccc2)n1 ZINC000833965984 605475991 /nfs/dbraw/zinc/47/59/91/605475991.db2.gz XNDUAQQQQGWQFH-UHFFFAOYSA-N -1 1 353.426 2.649 20 30 FFEDMM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000833965378 605654942 /nfs/dbraw/zinc/65/49/42/605654942.db2.gz ABZTWRULWQFNFC-SNVBAGLBSA-N -1 1 359.769 2.527 20 30 FFEDMM N#C[C@H](COC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1ccc(F)cc1 ZINC000822802336 606177547 /nfs/dbraw/zinc/17/75/47/606177547.db2.gz ZIFADCVBSKLNEM-LLVKDONJSA-N -1 1 357.370 2.607 20 30 FFEDMM N#C[C@H](COC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1ccc(F)cc1 ZINC000822802336 606177548 /nfs/dbraw/zinc/17/75/48/606177548.db2.gz ZIFADCVBSKLNEM-LLVKDONJSA-N -1 1 357.370 2.607 20 30 FFEDMM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)sc1SCC#N ZINC000822452836 606512274 /nfs/dbraw/zinc/51/22/74/606512274.db2.gz BAKCLJDXBZIOPN-UHFFFAOYSA-N -1 1 363.453 2.561 20 30 FFEDMM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)s2)sc1SCC#N ZINC000822452836 606512275 /nfs/dbraw/zinc/51/22/75/606512275.db2.gz BAKCLJDXBZIOPN-UHFFFAOYSA-N -1 1 363.453 2.561 20 30 FFEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1-n1cncn1 ZINC000826266590 608093940 /nfs/dbraw/zinc/09/39/40/608093940.db2.gz UNKBNVMHGYHZMM-HYXAFXHYSA-N -1 1 363.406 2.713 20 30 FFEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1-n1cncn1 ZINC000826266590 608093941 /nfs/dbraw/zinc/09/39/41/608093941.db2.gz UNKBNVMHGYHZMM-HYXAFXHYSA-N -1 1 363.406 2.713 20 30 FFEDMM N#Cc1ccccc1-c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826387327 608296597 /nfs/dbraw/zinc/29/65/97/608296597.db2.gz PVMGXLBWYSTOBE-UHFFFAOYSA-N -1 1 354.377 2.807 20 30 FFEDMM N#Cc1ccccc1-c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826387327 608296599 /nfs/dbraw/zinc/29/65/99/608296599.db2.gz PVMGXLBWYSTOBE-UHFFFAOYSA-N -1 1 354.377 2.807 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccccc2N(C)C)o1 ZINC000823962117 608749506 /nfs/dbraw/zinc/74/95/06/608749506.db2.gz FOZHISPVUARLLC-UHFFFAOYSA-N -1 1 368.445 2.955 20 30 FFEDMM Cn1cc(C=CC(=O)c2ccc([O-])cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360041 609308412 /nfs/dbraw/zinc/30/84/12/609308412.db2.gz VVXITZUDWKCHPA-FLIBITNWSA-N -1 1 372.388 2.869 20 30 FFEDMM COc1sc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Br ZINC000160188117 728918637 /nfs/dbraw/zinc/91/86/37/728918637.db2.gz CMKXIDGPHQHWIQ-AAOUONPWSA-N -1 1 371.208 2.747 20 30 FFEDMM N#CCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000040413690 727935893 /nfs/dbraw/zinc/93/58/93/727935893.db2.gz ZXPMZKZPCDMAJS-UHFFFAOYSA-N -1 1 358.044 2.948 20 30 FFEDMM C#CCSCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000130365172 728717229 /nfs/dbraw/zinc/71/72/29/728717229.db2.gz FWKGXJROVDMKEZ-UHFFFAOYSA-N -1 1 374.487 2.584 20 30 FFEDMM C#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000172948045 729036412 /nfs/dbraw/zinc/03/64/12/729036412.db2.gz ZGGWGJRAZJNCDB-UHFFFAOYSA-N -1 1 356.447 2.939 20 30 FFEDMM N#Cc1ccc(F)c(CNC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c1 ZINC000174400434 729070933 /nfs/dbraw/zinc/07/09/33/729070933.db2.gz VYOHTIVBQNWRBY-UHFFFAOYSA-N -1 1 373.438 2.996 20 30 FFEDMM N#C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000177012450 729126077 /nfs/dbraw/zinc/12/60/77/729126077.db2.gz YNGKGVMCEWWNIH-KRWDZBQOSA-N -1 1 356.403 2.946 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000185345961 729347601 /nfs/dbraw/zinc/34/76/01/729347601.db2.gz UZEJRINBIIZOHW-OAHLLOKOSA-N -1 1 356.447 2.856 20 30 FFEDMM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2)CC1 ZINC000195440063 729538639 /nfs/dbraw/zinc/53/86/39/729538639.db2.gz MOEAQMXCLIAYAY-UHFFFAOYSA-N -1 1 356.451 2.990 20 30 FFEDMM CN(C(=O)c1ccc(I)cc1[O-])C1(C#N)CCC1 ZINC000864994790 730900311 /nfs/dbraw/zinc/90/03/11/730900311.db2.gz YYHUCJVEWCRRRE-UHFFFAOYSA-N -1 1 356.163 2.515 20 30 FFEDMM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000657036189 731709408 /nfs/dbraw/zinc/70/94/08/731709408.db2.gz BAJIMNGKRLRPDF-GHMZBOCLSA-N -1 1 351.394 2.852 20 30 FFEDMM COCc1cc(C#N)ccc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000882383407 733218743 /nfs/dbraw/zinc/21/87/43/733218743.db2.gz RDRXAEGTDIBWEP-ZDUSSCGKSA-N -1 1 355.360 2.600 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(C#N)c(C)c1 ZINC000783260542 738796223 /nfs/dbraw/zinc/79/62/23/738796223.db2.gz CLSUMYKPKIKEGE-UHFFFAOYSA-N -1 1 358.419 2.985 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)Nc2ccccc2OC)c1 ZINC000726736196 734442236 /nfs/dbraw/zinc/44/22/36/734442236.db2.gz DGTMJCHOBSTALT-UHFFFAOYSA-N -1 1 359.407 2.508 20 30 FFEDMM CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1[O-] ZINC000727778679 734500170 /nfs/dbraw/zinc/50/01/70/734500170.db2.gz NTQYOTIAVFBDCT-UHFFFAOYSA-N -1 1 363.414 2.808 20 30 FFEDMM COc1ccc(OC(F)F)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000732926730 734776837 /nfs/dbraw/zinc/77/68/37/734776837.db2.gz SXOVHBWUDAJSMF-UJAVWCLSSA-N -1 1 352.289 2.525 20 30 FFEDMM N#C[C@@H](C(=O)C[C@H]1CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000740527856 735077408 /nfs/dbraw/zinc/07/74/08/735077408.db2.gz LPHHQMBSDWJWNE-PWSUYJOCSA-N -1 1 357.435 2.879 20 30 FFEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)O)cc2)cc1 ZINC000741819189 735163699 /nfs/dbraw/zinc/16/36/99/735163699.db2.gz MVMNYYBSJRXNOW-CYBMUJFWSA-N -1 1 361.419 2.884 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1c[nH]c2cc(F)ccc12 ZINC000748254828 735630693 /nfs/dbraw/zinc/63/06/93/735630693.db2.gz IIBCGZMTSKLBKD-UHFFFAOYSA-N -1 1 362.342 2.528 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(O)Cc2ccc(F)cc2)o1 ZINC000901376172 735772004 /nfs/dbraw/zinc/77/20/04/735772004.db2.gz QCHPWYRUSLDTBI-UHFFFAOYSA-N -1 1 370.402 2.527 20 30 FFEDMM C=CCOc1c(Cl)cc(CN2CC[C@](OC)(C(=O)[O-])C2)cc1OC ZINC000901542716 735792901 /nfs/dbraw/zinc/79/29/01/735792901.db2.gz RVXVBSILTRFFFL-QGZVFWFLSA-N -1 1 355.818 2.589 20 30 FFEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)c1ccc[nH]1 ZINC000751134196 735848360 /nfs/dbraw/zinc/84/83/60/735848360.db2.gz HGJNYFOTCOYKDH-UHFFFAOYSA-N -1 1 362.440 2.503 20 30 FFEDMM Cc1ccc(OC(F)F)c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000756825966 736364734 /nfs/dbraw/zinc/36/47/34/736364734.db2.gz QORAQVWIMDVMDY-UHFFFAOYSA-N -1 1 365.361 2.669 20 30 FFEDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000758147222 736456383 /nfs/dbraw/zinc/45/63/83/736456383.db2.gz IDZDUAGCJHAMRA-UHFFFAOYSA-N -1 1 361.379 2.915 20 30 FFEDMM Cc1cc(S(=O)(=O)Nc2cc(C#N)ccc2O)cc(C(=O)[O-])c1Cl ZINC000759100370 736546819 /nfs/dbraw/zinc/54/68/19/736546819.db2.gz ANDRODVOTNCAMC-UHFFFAOYSA-N -1 1 366.782 2.725 20 30 FFEDMM O=C([O-])c1ccc2c(C=NNc3cncc(Br)c3)n[nH]c2c1 ZINC000765583929 737135633 /nfs/dbraw/zinc/13/56/33/737135633.db2.gz IPENZTGGHGVKTP-UHFFFAOYSA-N -1 1 360.171 2.865 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(OCc2ccccc2F)cc1 ZINC000766474478 737232820 /nfs/dbraw/zinc/23/28/20/737232820.db2.gz MDRRDPYDGSPWSV-UHFFFAOYSA-N -1 1 356.382 2.527 20 30 FFEDMM CCCCCCCCN1C(=O)C(=CNc2cc(C)[nH]n2)C(=O)[N-]C1=S ZINC000920976856 737937393 /nfs/dbraw/zinc/93/73/93/737937393.db2.gz YFQTZHXSAGADGS-QBFSEMIESA-N -1 1 363.487 2.618 20 30 FFEDMM CCCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000814821870 741867955 /nfs/dbraw/zinc/86/79/55/741867955.db2.gz BRERJGIQJLREKQ-UHFFFAOYSA-N -1 1 362.411 2.614 20 30 FFEDMM [O-]c1ccc(C=NNC(=S)NCc2ccc3c(c2)OCO3)cc1Cl ZINC000921256675 737955863 /nfs/dbraw/zinc/95/58/63/737955863.db2.gz VIEXMCZVSMIUMG-UHFFFAOYSA-N -1 1 363.826 2.773 20 30 FFEDMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000921463292 737988248 /nfs/dbraw/zinc/98/82/48/737988248.db2.gz JJWNFVOFNAHKLO-AWEZNQCLSA-N -1 1 370.446 2.678 20 30 FFEDMM N#Cc1ccsc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000931837549 739337779 /nfs/dbraw/zinc/33/77/79/739337779.db2.gz PQUHHELWPHYUBD-VIFPVBQESA-N -1 1 360.361 2.542 20 30 FFEDMM COc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000791771583 739600974 /nfs/dbraw/zinc/60/09/74/739600974.db2.gz OYIRJFDHMWYMIF-VIFPVBQESA-N -1 1 365.176 2.753 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2c[nH]c(=NC(=O)OC(C)(C)C)s2)n1 ZINC000799866109 740458926 /nfs/dbraw/zinc/45/89/26/740458926.db2.gz UJZFBZSTOYFQSF-UHFFFAOYSA-N -1 1 350.404 2.740 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000799886878 740460843 /nfs/dbraw/zinc/46/08/43/740460843.db2.gz FPAPWGLYRYFSBG-UHFFFAOYSA-N -1 1 358.373 2.871 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811831512 741564811 /nfs/dbraw/zinc/56/48/11/741564811.db2.gz CZYAEKUHAVQKMT-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM Cc1nsc(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)c1C#N ZINC000812271485 741602091 /nfs/dbraw/zinc/60/20/91/741602091.db2.gz KAKHNJZIEGERKP-UHFFFAOYSA-N -1 1 362.842 2.645 20 30 FFEDMM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cccc([O-])c1Cl ZINC000814795776 741865965 /nfs/dbraw/zinc/86/59/65/741865965.db2.gz FZFZDQNVEDOKIG-UHFFFAOYSA-N -1 1 352.847 2.899 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c(F)cc1Cl ZINC000819897164 742441502 /nfs/dbraw/zinc/44/15/02/742441502.db2.gz CQFNKOPPHKSOHW-VHSXEESVSA-N -1 1 374.821 2.626 20 30 FFEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=C[C@@H]1CCOC1 ZINC000845844639 748336250 /nfs/dbraw/zinc/33/62/50/748336250.db2.gz JTUPOKSZAJUYRH-UFLMBTITSA-N -1 1 354.225 2.995 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC#N)cc2)cc1C ZINC000490679302 845920938 /nfs/dbraw/zinc/92/09/38/845920938.db2.gz YJUNVSDIHBDBAS-UHFFFAOYSA-N -1 1 357.435 2.748 20 30 FFEDMM C[C@@H](CC#N)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001574472484 949554179 /nfs/dbraw/zinc/55/41/79/949554179.db2.gz VLECHIIECSGUQU-NSHDSACASA-N -1 1 352.423 2.761 20 30 FFEDMM C[C@@H](CN1CCN(c2ccccc2)CC1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000125138528 1013885590 /nfs/dbraw/zinc/88/55/90/1013885590.db2.gz LUCCSVDBLGTABL-YIRPMMGJSA-N -1 1 368.437 2.930 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C3CC3)nc2C)cc1OC ZINC000760182349 980184784 /nfs/dbraw/zinc/18/47/84/980184784.db2.gz GLIKAJSCKOHSPR-CYBMUJFWSA-N -1 1 369.377 2.839 20 30 FFEDMM N#CCc1ccc(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000904248715 980222396 /nfs/dbraw/zinc/22/23/96/980222396.db2.gz FLEIEHLHICFSQZ-UHFFFAOYSA-N -1 1 353.422 2.936 20 30 FFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000906533526 981090489 /nfs/dbraw/zinc/09/04/89/981090489.db2.gz DOGQPZLSLXOTKF-UHFFFAOYSA-N -1 1 363.417 2.641 20 30 FFEDMM C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])N1CCN(c2ccccc2)CC1 ZINC000031643283 981502420 /nfs/dbraw/zinc/50/24/20/981502420.db2.gz ZVXOFKZJOIRVID-GXPOEHQZSA-N -1 1 368.437 2.930 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccccc2N2CCCCC2)c2ccccc21 ZINC000914600175 987813427 /nfs/dbraw/zinc/81/34/27/987813427.db2.gz PXGKBQFIBQTHOI-UHFFFAOYSA-N -1 1 368.462 2.750 20 30 FFEDMM CS(=O)(=O)c1ccc(-n2ncc(C#N)c2Nc2cccc([O-])c2F)cc1 ZINC001212548328 990214183 /nfs/dbraw/zinc/21/41/83/990214183.db2.gz IOYYVIYIUKYURM-UHFFFAOYSA-N -1 1 372.381 2.736 20 30 FFEDMM CCCCCC[C@H](CC)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001170590960 994653370 /nfs/dbraw/zinc/65/33/70/994653370.db2.gz PUGPQOJGJSSSJP-UONOGXRCSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCCC[C@H](CC)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001170590960 994653377 /nfs/dbraw/zinc/65/33/77/994653377.db2.gz PUGPQOJGJSSSJP-UONOGXRCSA-N -1 1 356.469 2.751 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000812024330 995325693 /nfs/dbraw/zinc/32/56/93/995325693.db2.gz MEWLLNFQDROILG-OAHLLOKOSA-N -1 1 371.462 2.651 20 30 FFEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1-c1ccccn1 ZINC000677568153 1016236099 /nfs/dbraw/zinc/23/60/99/1016236099.db2.gz ROARIFDMWCQRRL-ZDUSSCGKSA-N -1 1 357.377 2.646 20 30 FFEDMM C#CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000733287317 998947688 /nfs/dbraw/zinc/94/76/88/998947688.db2.gz BTSJOYOUZSFSFU-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CN2CCOC2=O)c1 ZINC000740810927 999685156 /nfs/dbraw/zinc/68/51/56/999685156.db2.gz HANMSJRUTCUQMI-UHFFFAOYSA-N -1 1 371.418 2.620 20 30 FFEDMM COc1ccc(NN=Cc2ccc(OCCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000767798836 1000146423 /nfs/dbraw/zinc/14/64/23/1000146423.db2.gz ZHUPIINLKMNKIY-UHFFFAOYSA-N -1 1 359.338 2.903 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000768781514 1000346415 /nfs/dbraw/zinc/34/64/15/1000346415.db2.gz SBCRWVMIJGAOJF-ZDUSSCGKSA-N -1 1 365.780 2.882 20 30 FFEDMM C=C1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)c2)C1 ZINC001147024787 1000814393 /nfs/dbraw/zinc/81/43/93/1000814393.db2.gz MCXOUSLUBYDMDD-UHFFFAOYSA-N -1 1 372.446 2.898 20 30 FFEDMM Cc1nc(-c2ccccn2)sc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001147954535 1001014217 /nfs/dbraw/zinc/01/42/17/1001014217.db2.gz MNGUUESYKCKTGA-UHFFFAOYSA-N -1 1 353.407 2.953 20 30 FFEDMM CC(=O)c1cc(C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)ccc1[O-] ZINC001148668349 1001194711 /nfs/dbraw/zinc/19/47/11/1001194711.db2.gz AUHWRNQTHQYUSD-UHFFFAOYSA-N -1 1 369.760 2.854 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-]Cc2nc(Cc3ccccc3)no2)CCCCC1 ZINC000772498934 1001398898 /nfs/dbraw/zinc/39/88/98/1001398898.db2.gz NFDPQVNDZHKASW-UHFFFAOYSA-N -1 1 374.466 2.554 20 30 FFEDMM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000785615913 1001462603 /nfs/dbraw/zinc/46/26/03/1001462603.db2.gz NXKOKVAEISWLQN-OLZOCXBDSA-N -1 1 359.426 2.639 20 30 FFEDMM CC(=O)c1ccnc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001184860125 1002744367 /nfs/dbraw/zinc/74/43/67/1002744367.db2.gz LJPDVKHZADRRLS-UHFFFAOYSA-N -1 1 367.283 2.749 20 30 FFEDMM N#Cc1c(Cl)nc2cccc(F)c2c1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170216757 1003049570 /nfs/dbraw/zinc/04/95/70/1003049570.db2.gz OCTVJROQWKBKAK-UHFFFAOYSA-N -1 1 371.719 2.672 20 30 FFEDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001185876101 1003097588 /nfs/dbraw/zinc/09/75/88/1003097588.db2.gz LZLQKVCOWCXVRO-UHFFFAOYSA-N -1 1 359.407 2.690 20 30 FFEDMM N#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)n1)c1ccc(F)cc1 ZINC001196326880 1003743098 /nfs/dbraw/zinc/74/30/98/1003743098.db2.gz KCKNHAVSWJSCEE-LLVKDONJSA-N -1 1 370.203 2.526 20 30 FFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2O)c(C)c1 ZINC001196888167 1003988299 /nfs/dbraw/zinc/98/82/99/1003988299.db2.gz ORJYXTDFRBAOGF-UHFFFAOYSA-N -1 1 350.371 2.829 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)c1 ZINC001197106699 1004084899 /nfs/dbraw/zinc/08/48/99/1004084899.db2.gz MWKOSNQEAPDCLF-VQHVLOKHSA-N -1 1 356.403 2.854 20 30 FFEDMM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)cc1[O-] ZINC001192760310 1004278623 /nfs/dbraw/zinc/27/86/23/1004278623.db2.gz CCSDOTJUHVHFCL-INIZCTEOSA-N -1 1 353.378 2.560 20 30 FFEDMM CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)cs1)C1CC1 ZINC000806560753 1004362854 /nfs/dbraw/zinc/36/28/54/1004362854.db2.gz OJJVRVZTEJGFIU-XVNBXDOJSA-N -1 1 372.402 2.958 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC001193112952 1004377847 /nfs/dbraw/zinc/37/78/47/1004377847.db2.gz WUEOEMGWEHHDOI-SNVBAGLBSA-N -1 1 358.345 2.853 20 30 FFEDMM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1nccnc1OCC1CC1 ZINC001198010542 1004443485 /nfs/dbraw/zinc/44/34/85/1004443485.db2.gz HNCFWWKVLCFKLL-UHFFFAOYSA-N -1 1 372.388 2.846 20 30 FFEDMM N#Cc1cc(F)c(NC(=O)c2cccc(OCCO)c2[O-])c(Cl)c1 ZINC001193344470 1004457282 /nfs/dbraw/zinc/45/72/82/1004457282.db2.gz LHGUHOZKOTUXAB-UHFFFAOYSA-N -1 1 350.733 2.680 20 30 FFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ncc(C#N)cc2Cl)c1 ZINC001193390689 1004472471 /nfs/dbraw/zinc/47/24/71/1004472471.db2.gz BOAVACYTAMBKNC-UHFFFAOYSA-N -1 1 365.798 2.503 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F)cn1 ZINC001198325195 1004579515 /nfs/dbraw/zinc/57/95/15/1004579515.db2.gz BBOZLVLCGYPVAI-UHFFFAOYSA-N -1 1 354.247 2.501 20 30 FFEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(OCC2CCC2)ncn1 ZINC001198804302 1004745017 /nfs/dbraw/zinc/74/50/17/1004745017.db2.gz NZSWNSRDYPPVIS-UHFFFAOYSA-N -1 1 372.406 2.628 20 30 FFEDMM C=C(C)C(=O)OCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201277023 1005193886 /nfs/dbraw/zinc/19/38/86/1005193886.db2.gz YBWOFCXCXMSOOA-UHFFFAOYSA-N -1 1 356.202 2.530 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@H](C)C(=O)N3C)cc1C#N ZINC001201323893 1005200098 /nfs/dbraw/zinc/20/00/98/1005200098.db2.gz QBGAFAAPDLUMPB-ZDUSSCGKSA-N -1 1 369.446 2.823 20 30 FFEDMM CCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccccc1OC(F)F ZINC000814847784 1006448470 /nfs/dbraw/zinc/44/84/70/1006448470.db2.gz DEKGXNATIANIQC-UHFFFAOYSA-N -1 1 362.340 2.897 20 30 FFEDMM C=CCNc1ncc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)s1 ZINC001152417465 1032162221 /nfs/dbraw/zinc/16/22/21/1032162221.db2.gz ZCIIHHCMVWHNKM-UHFFFAOYSA-N -1 1 370.431 2.504 20 30 FFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2cccc(F)c2F)c1 ZINC001189455911 1007108813 /nfs/dbraw/zinc/10/88/13/1007108813.db2.gz NYWGRYIBBJZEBB-UHFFFAOYSA-N -1 1 366.345 2.565 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)c1C#N ZINC000137525269 1008620875 /nfs/dbraw/zinc/62/08/75/1008620875.db2.gz QUXQWIGLYKGPCS-HNNXBMFYSA-N -1 1 371.462 2.893 20 30 FFEDMM N#Cc1ccc(NC(=O)C2CCN(c3cc(Cl)ncn3)CC2)c([O-])c1 ZINC001177681439 1008703494 /nfs/dbraw/zinc/70/34/94/1008703494.db2.gz CCGCCHVDPCRDFX-UHFFFAOYSA-N -1 1 357.801 2.562 20 30 FFEDMM N#Cc1ccc(C[C@@H](C#N)C(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001178785570 1009124337 /nfs/dbraw/zinc/12/43/37/1009124337.db2.gz XCZNLNFHXCWSCM-AWEZNQCLSA-N -1 1 355.344 2.583 20 30 FFEDMM C=CCC[C@H](C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1)c1ccccc1 ZINC001178894282 1009170937 /nfs/dbraw/zinc/17/09/37/1009170937.db2.gz SPDFMTYYHPKISS-INIZCTEOSA-N -1 1 355.438 2.947 20 30 FFEDMM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000773783470 1009179359 /nfs/dbraw/zinc/17/93/59/1009179359.db2.gz DJWSLGNLDMVTGI-WFASDCNBSA-N -1 1 359.426 2.782 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)C[C@@H](CC#N)c2ccccc2)[n-]c1=O ZINC000889785188 1010113299 /nfs/dbraw/zinc/11/32/99/1010113299.db2.gz CFWQCOGBXQWMLN-HZPDHXFCSA-N -1 1 366.421 2.942 20 30 FFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CCc1cccc(C#N)c1 ZINC000863435739 1010209505 /nfs/dbraw/zinc/20/95/05/1010209505.db2.gz GGRWTOAXGPFZBD-UHFFFAOYSA-N -1 1 352.438 2.975 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCC[C@H]2c2ccccn2)cc1 ZINC000794900012 1010937083 /nfs/dbraw/zinc/93/70/83/1010937083.db2.gz RKIRXFWNCZETEL-HNNXBMFYSA-N -1 1 374.422 2.733 20 30 FFEDMM C=CCN(CC=C)C(=O)COC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801418014 1018963424 /nfs/dbraw/zinc/96/34/24/1018963424.db2.gz IVWJBXRCDLSNQF-UHFFFAOYSA-N -1 1 369.421 2.552 20 30 FFEDMM Cc1nc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])ccc1C#N ZINC001048121261 1019906770 /nfs/dbraw/zinc/90/67/70/1019906770.db2.gz WOPVYIIEBVWZON-CJNGLKHVSA-N -1 1 365.437 2.715 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C/C=C/C2CC2)cc1Br ZINC001117761091 1021867695 /nfs/dbraw/zinc/86/76/95/1021867695.db2.gz QWCRBOZERNVQCG-OWOJBTEDSA-N -1 1 359.220 2.704 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C(C[C@H]2CCOC2)c2ccccc2)c2ccccc21 ZINC000753923029 1023398856 /nfs/dbraw/zinc/39/88/56/1023398856.db2.gz AVCSMGJXNYXSLP-CQSZACIVSA-N -1 1 369.446 2.556 20 30 FFEDMM C=CCNC(=O)c1ccccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000755163652 1023571508 /nfs/dbraw/zinc/57/15/08/1023571508.db2.gz APABRPVCEXPSEF-UHFFFAOYSA-N -1 1 353.378 2.519 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(CC)Cc1ccc(OC)cc1 ZINC001121552375 1023845194 /nfs/dbraw/zinc/84/51/94/1023845194.db2.gz GEDDSVOAWPCHBP-UHFFFAOYSA-N -1 1 354.414 2.595 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1(C)C ZINC000837158821 1025623453 /nfs/dbraw/zinc/62/34/53/1025623453.db2.gz WITOINDEFWZBHX-UHFFFAOYSA-N -1 1 359.426 2.735 20 30 FFEDMM CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000839787749 1026827225 /nfs/dbraw/zinc/82/72/25/1026827225.db2.gz RWULCKXBPSILHN-UHFFFAOYSA-N -1 1 368.393 2.936 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cc2cc(Br)ccn2n1 ZINC001153087811 1027767301 /nfs/dbraw/zinc/76/73/01/1027767301.db2.gz FYUSZMLKWPUNGY-UHFFFAOYSA-N -1 1 374.198 2.536 20 30 FFEDMM COC(=O)C1(CNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)CCOCC1 ZINC001162000088 1028389318 /nfs/dbraw/zinc/38/93/18/1028389318.db2.gz HYSJTFYYJIPFHO-ZVBGSRNCSA-N -1 1 360.332 2.895 20 30 FFEDMM N#Cc1cccc(Oc2ccnc(N3CCC[C@H](c4n[n-]c(=O)o4)C3)n2)c1 ZINC001163178893 1028833360 /nfs/dbraw/zinc/83/33/60/1028833360.db2.gz HZQMTXWQGBUSIU-ZDUSSCGKSA-N -1 1 364.365 2.613 20 30 FFEDMM C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc3ccc(C)nc3c2[O-])C1 ZINC001155658780 1028837492 /nfs/dbraw/zinc/83/74/92/1028837492.db2.gz QRPWSUUJWFCWDH-OAHLLOKOSA-N -1 1 369.421 2.766 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000781348797 1029156472 /nfs/dbraw/zinc/15/64/72/1029156472.db2.gz FEEMIMWZTBMYHE-HNNXBMFYSA-N -1 1 359.426 2.783 20 30 FFEDMM C=CCC[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001157759760 1029656972 /nfs/dbraw/zinc/65/69/72/1029656972.db2.gz DRAKPYWKPZSUBN-KRWDZBQOSA-N -1 1 374.462 2.544 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cc(N3CCNC3=O)ccc2C)ccc1C#N ZINC000782501393 1029723017 /nfs/dbraw/zinc/72/30/17/1029723017.db2.gz CYDKJCGOGDCMRT-UHFFFAOYSA-N -1 1 370.434 2.506 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(N2CCO[C@H](c3ccccn3)C2)n1 ZINC001167009583 1030609045 /nfs/dbraw/zinc/60/90/45/1030609045.db2.gz NQLUFQDKYXKKHV-MEBUONCMSA-N -1 1 365.846 2.633 20 30 FFEDMM Cc1nc([C@@H]2CCCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000796761767 1030908874 /nfs/dbraw/zinc/90/88/74/1030908874.db2.gz LWVAUKZKPAFPMC-CHWSQXEVSA-N -1 1 370.434 2.702 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C(C)(C)C ZINC000799089758 1031642431 /nfs/dbraw/zinc/64/24/31/1031642431.db2.gz WELWKPFPWCLWSC-OAHLLOKOSA-N -1 1 361.442 2.933 20 30 FFEDMM C=CCOC[C@@H]1CN(Cc2cccc(F)c2[O-])Cc2nnn(CC3CC3)c21 ZINC001138125586 1033804024 /nfs/dbraw/zinc/80/40/24/1033804024.db2.gz SYAPSFTYRGPHLG-INIZCTEOSA-N -1 1 372.444 2.835 20 30 FFEDMM C=CCOc1ccccc1[C@H](C)Oc1cc(=O)[n-]c(N2CCOCC2)n1 ZINC001226728237 1034808740 /nfs/dbraw/zinc/80/87/40/1034808740.db2.gz NRTRAZRHAUHDCQ-AWEZNQCLSA-N -1 1 357.410 2.724 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc([O-])c(C#N)c2C#N)[C@@H](F)C1 ZINC001227614401 1035637407 /nfs/dbraw/zinc/63/74/07/1035637407.db2.gz FNFFDWDZDIZGEP-BBRMVZONSA-N -1 1 361.373 2.862 20 30 FFEDMM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232971296 1036198965 /nfs/dbraw/zinc/19/89/65/1036198965.db2.gz AIDPDPQZLJQLQA-HNNXBMFYSA-N -1 1 364.396 2.584 20 30 FFEDMM N#Cc1cccnc1N1CCC(Oc2cc([O-])cc3oc(=O)ccc23)CC1 ZINC001229136252 1036517079 /nfs/dbraw/zinc/51/70/79/1036517079.db2.gz VEZBIFHFSBYPIF-UHFFFAOYSA-N -1 1 363.373 2.813 20 30 FFEDMM CCOC(=O)C[C@@H](CC#N)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233497091 1036661657 /nfs/dbraw/zinc/66/16/57/1036661657.db2.gz DZTOEJUSMADNIS-MRVPVSSYSA-N -1 1 352.734 2.739 20 30 FFEDMM C/C(=N\[O-])c1ccccc1OC1CN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC001229738510 1036860267 /nfs/dbraw/zinc/86/02/67/1036860267.db2.gz LSFOAJUYXYXMIV-XMHGGMMESA-N -1 1 360.435 2.645 20 30 FFEDMM C#CC[C@@H](C)Oc1cc(C(=O)OC)cc([O-])c1I ZINC001234434348 1037035302 /nfs/dbraw/zinc/03/53/02/1037035302.db2.gz SPXCDPWLFHFFSJ-MRVPVSSYSA-N -1 1 360.147 2.574 20 30 FFEDMM COc1c(O)ccc2c(=O)c3c(O[C@@H]4C=CC(=O)C4)cc([O-])cc3oc21 ZINC001234751938 1037170062 /nfs/dbraw/zinc/17/00/62/1037170062.db2.gz RHGXXCAEQYWHQH-LLVKDONJSA-N -1 1 354.314 2.642 20 30 FFEDMM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@H](C)CON)c1OC ZINC001230440442 1037281915 /nfs/dbraw/zinc/28/19/15/1037281915.db2.gz NJYFPYJIHLYSDY-WTNCMQEWSA-N -1 1 373.405 2.963 20 30 FFEDMM C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC ZINC001257780381 1038972688 /nfs/dbraw/zinc/97/26/88/1038972688.db2.gz MSZNFLDMUUVXJA-OTYXRUKQSA-N -1 1 364.250 2.780 20 30 FFEDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(C#N)c(C#N)c1)C(=O)C2 ZINC001258972600 1039630384 /nfs/dbraw/zinc/63/03/84/1039630384.db2.gz GUHBSRMSXXWYFK-KSSFIOAISA-N -1 1 357.435 2.567 20 30 FFEDMM CC1(C)CC(=O)Nc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc21 ZINC001259125397 1039731293 /nfs/dbraw/zinc/73/12/93/1039731293.db2.gz ZFYCSAKVFGKXEL-UHFFFAOYSA-N -1 1 355.419 2.979 20 30 FFEDMM Cc1cn(-c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2F)cn1 ZINC001259125331 1039731946 /nfs/dbraw/zinc/73/19/46/1039731946.db2.gz VYSCVOBFRJSOFU-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM CC1(C)Cc2c([N-]S(=O)(=O)c3cccc(C#N)c3)cccc2NC1=O ZINC001259126271 1039732093 /nfs/dbraw/zinc/73/20/93/1039732093.db2.gz VFVDLSIHWADWRY-UHFFFAOYSA-N -1 1 355.419 2.880 20 30 FFEDMM C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC001259145563 1039745037 /nfs/dbraw/zinc/74/50/37/1039745037.db2.gz OUNBBOJICKOGDR-LBPRGKRZSA-N -1 1 364.448 2.518 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-][C@H](c2ccccn2)C(F)(F)F)ccc1F ZINC001259420488 1039989479 /nfs/dbraw/zinc/98/94/79/1039989479.db2.gz QPXHMTBWDIQXAP-CYBMUJFWSA-N -1 1 359.304 2.674 20 30 FFEDMM CC1(C)CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc21 ZINC001259419210 1039989930 /nfs/dbraw/zinc/98/99/30/1039989930.db2.gz OHAYPQAJWKEJDY-UHFFFAOYSA-N -1 1 373.409 2.519 20 30 FFEDMM CC1(C)CNC(=O)c2cc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)ccc21 ZINC001259419257 1039990164 /nfs/dbraw/zinc/99/01/64/1039990164.db2.gz QPSBUSOJLAFJOF-UHFFFAOYSA-N -1 1 373.409 2.519 20 30 FFEDMM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)c1 ZINC001254440246 1040720758 /nfs/dbraw/zinc/72/07/58/1040720758.db2.gz UXRYOZLNRKUQMJ-UHFFFAOYSA-N -1 1 372.324 2.794 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001213680023 1040786045 /nfs/dbraw/zinc/78/60/45/1040786045.db2.gz KCTMIPVYYLGQFL-VIFPVBQESA-N -1 1 367.333 2.784 20 30 FFEDMM CC(=O)N1CCC2(CC1)c1ccc(-c3ccc([O-])c(C#N)c3)cc1NC2=O ZINC001242564267 1044752477 /nfs/dbraw/zinc/75/24/77/1044752477.db2.gz WBCKOTMALQOLOY-UHFFFAOYSA-N -1 1 361.401 2.763 20 30 FFEDMM C=C[C@H](COC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001320441023 1045408572 /nfs/dbraw/zinc/40/85/72/1045408572.db2.gz AOJQCBGZHUQLOW-MRXNPFEDSA-N -1 1 374.462 2.727 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)c1 ZINC001320553188 1045427869 /nfs/dbraw/zinc/42/78/69/1045427869.db2.gz FUMOTFSOFAXFCJ-UHFFFAOYSA-N -1 1 358.423 2.724 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001321816457 1045816263 /nfs/dbraw/zinc/81/62/63/1045816263.db2.gz GVKBCWIJZDWSCJ-ZJUUUORDSA-N -1 1 360.357 2.620 20 30 FFEDMM CCOc1ccc(C[C@H](C)C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001325386867 1046492771 /nfs/dbraw/zinc/49/27/71/1046492771.db2.gz SXBWRYMOZQKFSX-ZDUSSCGKSA-N -1 1 372.446 2.529 20 30 FFEDMM Cc1ccc(CN2CCCN(C(=O)c3[n-]c(=O)c(C#N)cc3C)CC2)cc1 ZINC001290509333 1048181503 /nfs/dbraw/zinc/18/15/03/1048181503.db2.gz VUOSRRZHCLWAMM-UHFFFAOYSA-N -1 1 364.449 2.624 20 30 FFEDMM C=CC[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC001332130495 1048260559 /nfs/dbraw/zinc/26/05/59/1048260559.db2.gz FFOBKIXHSDIYFK-ZIAGYGMSSA-N -1 1 373.375 2.637 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@H](OC)C1 ZINC001342949554 1051563443 /nfs/dbraw/zinc/56/34/43/1051563443.db2.gz CKWSCIXRXATZKT-GFCCVEGCSA-N -1 1 363.849 2.890 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001343628101 1052344169 /nfs/dbraw/zinc/34/41/69/1052344169.db2.gz FCWVLOSUZBKHHG-JTQLQIEISA-N -1 1 356.352 2.729 20 30 FFEDMM C=C[C@](C)(CC)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001346578728 1053123824 /nfs/dbraw/zinc/12/38/24/1053123824.db2.gz IMNJNKKZJALBOB-STXHMFSFSA-N -1 1 359.470 2.604 20 30 FFEDMM C=CCN(C)c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1CC(C)C ZINC001347523920 1054069956 /nfs/dbraw/zinc/06/99/56/1054069956.db2.gz JUHFADBVQOWIOD-UHFFFAOYSA-N -1 1 365.441 2.781 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001338907517 1055925415 /nfs/dbraw/zinc/92/54/15/1055925415.db2.gz YNURJTXVHQATSJ-XJKSGUPXSA-N -1 1 366.425 2.526 20 30 FFEDMM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@](F)(C#N)C1 ZINC001351453018 1056267995 /nfs/dbraw/zinc/26/79/95/1056267995.db2.gz PRCACWUCMIMSHF-KRWDZBQOSA-N -1 1 370.413 2.888 20 30 FFEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3coc(-c4cccnc4)n3)n2)cc1 ZINC001354681876 1059359206 /nfs/dbraw/zinc/35/92/06/1059359206.db2.gz VSNPJAIZVMOAEW-UHFFFAOYSA-N -1 1 371.360 2.500 20 30 FFEDMM C#C[C@@H]1CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000848281313 1059586931 /nfs/dbraw/zinc/58/69/31/1059586931.db2.gz YPFKUAFCGTUCFA-LLVKDONJSA-N -1 1 370.327 2.988 20 30 FFEDMM COc1cc(Br)c(OC)c(C([O-])=C(C#N)c2ccncn2)c1 ZINC001516767241 1060224676 /nfs/dbraw/zinc/22/46/76/1060224676.db2.gz LXCXYIXPTUFWDK-NSHDSACASA-N -1 1 362.183 2.746 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001475666303 1061189060 /nfs/dbraw/zinc/18/90/60/1061189060.db2.gz KCTMIPVYYLGQFL-SECBINFHSA-N -1 1 367.333 2.784 20 30 FFEDMM CC(C)C[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC001463314309 1062049162 /nfs/dbraw/zinc/04/91/62/1062049162.db2.gz NUTCBQLNWNSAMH-CQSZACIVSA-N -1 1 372.512 2.796 20 30 FFEDMM CC[C@@H](C)Oc1cc(C)ccc1CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001576685247 1078260135 /nfs/dbraw/zinc/26/01/35/1078260135.db2.gz RYINFFNSWSIMDS-GFCCVEGCSA-N -1 1 364.413 2.626 20 30 FFEDMM N#Cc1nc(Oc2ccc(Sc3ccncc3)cc2)cnc1-c1nn[n-]n1 ZINC001581881348 1079013292 /nfs/dbraw/zinc/01/32/92/1079013292.db2.gz XPHAODGAVXPPCZ-UHFFFAOYSA-N -1 1 374.389 2.867 20 30 FFEDMM CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNc1cnnc([O-])c1Cl ZINC001552452435 1075076709 /nfs/dbraw/zinc/07/67/09/1075076709.db2.gz LJDQEPDEHYLFGA-QMTHXVAHSA-N -1 1 350.810 2.618 20 30 FFEDMM C#C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC001588329077 1079985897 /nfs/dbraw/zinc/98/58/97/1079985897.db2.gz XGPPQJOYIUGTFK-GFCCVEGCSA-N -1 1 373.735 2.749 20 30 FFEDMM C#C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC001588329077 1079985901 /nfs/dbraw/zinc/98/59/01/1079985901.db2.gz XGPPQJOYIUGTFK-GFCCVEGCSA-N -1 1 373.735 2.749 20 30 FFEDMM C#CCOc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC001588361707 1079993799 /nfs/dbraw/zinc/99/37/99/1079993799.db2.gz HNRTYXHQPIBOFR-UHFFFAOYSA-N -1 1 365.397 2.610 20 30 FFEDMM C=C(C)C(C)(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001588402263 1080010163 /nfs/dbraw/zinc/01/01/63/1080010163.db2.gz DQBKVFWONLFPBZ-UHFFFAOYSA-N -1 1 355.377 2.732 20 30 FFEDMM C=C(C)CCC(=O)N(CC)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588410778 1080014574 /nfs/dbraw/zinc/01/45/74/1080014574.db2.gz VNVLFHKESSQFOZ-UHFFFAOYSA-N -1 1 369.882 2.593 20 30 FFEDMM C=C(C)CCC(=O)NC[C@H](CC)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588415305 1080018169 /nfs/dbraw/zinc/01/81/69/1080018169.db2.gz IDXWCUPUZBNMNX-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=C(C)CCC(=O)NC[C@H](CC)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588415305 1080018179 /nfs/dbraw/zinc/01/81/79/1080018179.db2.gz IDXWCUPUZBNMNX-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=C(Cl)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001588447871 1080030449 /nfs/dbraw/zinc/03/04/49/1080030449.db2.gz MJANKKFBOIPHNP-UHFFFAOYSA-N -1 1 351.819 2.770 20 30 FFEDMM C=C(Cl)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001588447871 1080030459 /nfs/dbraw/zinc/03/04/59/1080030459.db2.gz MJANKKFBOIPHNP-UHFFFAOYSA-N -1 1 351.819 2.770 20 30 FFEDMM C=CC[C@@H]1CCCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001588561326 1080098674 /nfs/dbraw/zinc/09/86/74/1080098674.db2.gz ZPRSOKXQBGPFHT-MRVPVSSYSA-N -1 1 353.839 2.797 20 30 FFEDMM C=CCCC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001588595098 1080117158 /nfs/dbraw/zinc/11/71/58/1080117158.db2.gz YGABKUAPMNXSOY-OAHLLOKOSA-N -1 1 366.425 2.919 20 30 FFEDMM C=CCCC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001588595098 1080117163 /nfs/dbraw/zinc/11/71/63/1080117163.db2.gz YGABKUAPMNXSOY-OAHLLOKOSA-N -1 1 366.425 2.919 20 30 FFEDMM C=CC[C@@H](C(=O)[O-])N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC001588728846 1080173554 /nfs/dbraw/zinc/17/35/54/1080173554.db2.gz LXQRZVWYXIKHLJ-HNNXBMFYSA-N -1 1 359.253 2.961 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(Br)s2)o1 ZINC001588781334 1080192987 /nfs/dbraw/zinc/19/29/87/1080192987.db2.gz VBHRSDRBMZTWKH-UHFFFAOYSA-N -1 1 368.220 2.823 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCOc3cc(F)ccc32)o1 ZINC001589238050 1080439785 /nfs/dbraw/zinc/43/97/85/1080439785.db2.gz MHSBOWQDPJKRNW-UHFFFAOYSA-N -1 1 371.376 2.890 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2COc3c2cccc3Cl)o1 ZINC001589773723 1080728386 /nfs/dbraw/zinc/72/83/86/1080728386.db2.gz KKCKSOBTMDHKMF-UHFFFAOYSA-N -1 1 359.777 2.840 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)cc2C[C@@H]1C ZINC000102862307 250124147 /nfs/dbraw/zinc/12/41/47/250124147.db2.gz QBAUPJFXLUYACT-NSHDSACASA-N -1 1 373.409 2.796 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc([N-]S(=O)(=O)N2CCCCC2)n1 ZINC000332611314 258237275 /nfs/dbraw/zinc/23/72/75/258237275.db2.gz BYDGAFUDGURPLJ-UHFFFAOYSA-N -1 1 365.846 2.540 20 30 FFEDMM COC(=O)c1csc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000437929116 514271167 /nfs/dbraw/zinc/27/11/67/514271167.db2.gz ALWZNBNWMMVJAN-UHFFFAOYSA-N -1 1 356.812 2.861 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1C(N)=O ZINC000032085385 506228521 /nfs/dbraw/zinc/22/85/21/506228521.db2.gz WMFIXBYQILNJNW-UHFFFAOYSA-N -1 1 357.435 2.696 20 30 FFEDMM COc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1[N-]S(C)(=O)=O ZINC000033070027 506333200 /nfs/dbraw/zinc/33/32/00/506333200.db2.gz QNPIGOKLPVWTGI-UHFFFAOYSA-N -1 1 373.434 2.510 20 30 FFEDMM C#CC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000371090797 512214101 /nfs/dbraw/zinc/21/41/01/512214101.db2.gz WDSHPVMOPSXYBM-IBGZPJMESA-N -1 1 372.428 2.976 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 ZINC000055546195 506774597 /nfs/dbraw/zinc/77/45/97/506774597.db2.gz WDCCVNOEXIYYHK-UHFFFAOYSA-N -1 1 358.419 2.606 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000055631624 506806549 /nfs/dbraw/zinc/80/65/49/506806549.db2.gz HGUUQXJHPMUMEP-QGZVFWFLSA-N -1 1 358.419 2.917 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068075364 507099615 /nfs/dbraw/zinc/09/96/15/507099615.db2.gz WMVGXANHLCZYEF-UHFFFAOYSA-N -1 1 373.434 2.825 20 30 FFEDMM C=CCN(Cc1ccccc1)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000056916452 507122960 /nfs/dbraw/zinc/12/29/60/507122960.db2.gz FGXODSWDJQUTAH-UHFFFAOYSA-N -1 1 374.444 2.898 20 30 FFEDMM CCn1c(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000068453711 507236550 /nfs/dbraw/zinc/23/65/50/507236550.db2.gz VVORXEXEQFYCMV-UHFFFAOYSA-N -1 1 355.467 2.781 20 30 FFEDMM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1)c1nnc2n1CCCCC2 ZINC000060767861 507576953 /nfs/dbraw/zinc/57/69/53/507576953.db2.gz LDTNXDUJWULXQE-CQSZACIVSA-N -1 1 364.384 2.819 20 30 FFEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000050205648 507674155 /nfs/dbraw/zinc/67/41/55/507674155.db2.gz DVNHRDRZPCJONS-MRXNPFEDSA-N -1 1 372.388 2.718 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1NC(C)=O ZINC000063878698 507777935 /nfs/dbraw/zinc/77/79/35/507777935.db2.gz SWJYBEDFVYUNDY-UHFFFAOYSA-N -1 1 359.407 2.635 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657581 507893936 /nfs/dbraw/zinc/89/39/36/507893936.db2.gz SLODNHRXZRVVFM-YCRPNKLZSA-N -1 1 371.481 2.730 20 30 FFEDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673677 508335516 /nfs/dbraw/zinc/33/55/16/508335516.db2.gz JBHJOWJGMFOBSV-UHFFFAOYSA-N -1 1 357.435 2.807 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC1(C#N)CC1 ZINC000115151244 508371990 /nfs/dbraw/zinc/37/19/90/508371990.db2.gz DAJBIDXLSDTEKT-UHFFFAOYSA-N -1 1 373.409 2.721 20 30 FFEDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2F)c1 ZINC000128055544 508540673 /nfs/dbraw/zinc/54/06/73/508540673.db2.gz RWCNGLKUIXASMX-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nc(C)cs1 ZINC000157284406 508546979 /nfs/dbraw/zinc/54/69/79/508546979.db2.gz IRNBKBKZZSPLST-NSHDSACASA-N -1 1 366.424 2.661 20 30 FFEDMM C=C(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000154317947 508759715 /nfs/dbraw/zinc/75/97/15/508759715.db2.gz IPMLBHSPJXHCMZ-UHFFFAOYSA-N -1 1 360.435 2.802 20 30 FFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(C)o1 ZINC000124352009 508819958 /nfs/dbraw/zinc/81/99/58/508819958.db2.gz XKCKHCOPQCYVGS-CYBMUJFWSA-N -1 1 354.815 2.779 20 30 FFEDMM N#C[C@H](C(=O)Nc1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155668907 509048918 /nfs/dbraw/zinc/04/89/18/509048918.db2.gz OJWRGVLZKQHFHK-LBPRGKRZSA-N -1 1 365.418 2.504 20 30 FFEDMM C=CCN(CCOC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000191970409 509270273 /nfs/dbraw/zinc/27/02/73/509270273.db2.gz OBZRSUXPKMFGAI-UHFFFAOYSA-N -1 1 374.462 2.762 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000267215762 509397399 /nfs/dbraw/zinc/39/73/99/509397399.db2.gz GLQMGHFBPFLKTA-KRWDZBQOSA-N -1 1 365.437 2.684 20 30 FFEDMM C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000186021080 509483153 /nfs/dbraw/zinc/48/31/53/509483153.db2.gz VQYQZEXYFJDLMJ-INIZCTEOSA-N -1 1 363.870 2.793 20 30 FFEDMM CCSCc1cc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)no1 ZINC000186261104 509609798 /nfs/dbraw/zinc/60/97/98/509609798.db2.gz VYYSEMXPXKVCLB-UHFFFAOYSA-N -1 1 368.422 2.691 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C#N)C(C)(C)C ZINC000268045403 509734083 /nfs/dbraw/zinc/73/40/83/509734083.db2.gz ZLTPQXYEFBNKRR-OAHLLOKOSA-N -1 1 353.426 2.540 20 30 FFEDMM CCCCCCCCc1nnc([N-]C(=O)c2nccnc2C(N)=O)s1 ZINC000174198283 509996674 /nfs/dbraw/zinc/99/66/74/509996674.db2.gz VZBFAJWUTPDHHY-UHFFFAOYSA-N -1 1 362.459 2.582 20 30 FFEDMM C[C@H](CC#N)N(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000268590707 510025137 /nfs/dbraw/zinc/02/51/37/510025137.db2.gz BSRKHDJWPRDJLZ-SECBINFHSA-N -1 1 359.304 2.877 20 30 FFEDMM C=C(C)C[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000184227527 510204753 /nfs/dbraw/zinc/20/47/53/510204753.db2.gz TZAVLFCOSNJFJN-ZDUSSCGKSA-N -1 1 352.456 2.718 20 30 FFEDMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000194725193 510495472 /nfs/dbraw/zinc/49/54/72/510495472.db2.gz OSPQKXXEFABDMK-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM N#Cc1ccc(C(=O)NCCOc2ccc(Br)cc2)cc1[O-] ZINC000191144745 510523900 /nfs/dbraw/zinc/52/39/00/510523900.db2.gz WSYXTCLVVQOHNP-UHFFFAOYSA-N -1 1 361.195 2.835 20 30 FFEDMM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188464821 510779775 /nfs/dbraw/zinc/77/97/75/510779775.db2.gz WKDKOVMHYHRRBR-KRWDZBQOSA-N -1 1 360.373 2.895 20 30 FFEDMM C#CCN(Cc1ccccc1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000286348708 511023806 /nfs/dbraw/zinc/02/38/06/511023806.db2.gz KCYMQUVKBJCGKC-UHFFFAOYSA-N -1 1 362.433 2.646 20 30 FFEDMM C#C[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)C ZINC000291730347 511314134 /nfs/dbraw/zinc/31/41/34/511314134.db2.gz NRELDOPTQFAQQZ-INIZCTEOSA-N -1 1 352.438 2.649 20 30 FFEDMM N#Cc1ccc(OC2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)cc1 ZINC000295317485 511361038 /nfs/dbraw/zinc/36/10/38/511361038.db2.gz SIBWVVYRJZVSOR-UHFFFAOYSA-N -1 1 356.353 2.792 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)ccc1C#N ZINC000365522461 511501581 /nfs/dbraw/zinc/50/15/81/511501581.db2.gz LZXHKCJNTOOKOP-UHFFFAOYSA-N -1 1 355.419 2.942 20 30 FFEDMM N#Cc1cc(F)ccc1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281246858 511774761 /nfs/dbraw/zinc/77/47/61/511774761.db2.gz DGIDUGMRAJOWFC-UHFFFAOYSA-N -1 1 372.322 2.620 20 30 FFEDMM O=C(CN1CCC(c2n[nH]c(=O)[n-]2)CC1)NC1(c2ccccc2)CCC1 ZINC000329673929 512085208 /nfs/dbraw/zinc/08/52/08/512085208.db2.gz VDVNJUUKUQJJQH-UHFFFAOYSA-N -1 1 355.442 2.726 20 30 FFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nnc(C2CCC2)n1C ZINC000329720971 512089987 /nfs/dbraw/zinc/08/99/87/512089987.db2.gz BVZBFRGQBMLKHQ-UHFFFAOYSA-N -1 1 358.446 2.689 20 30 FFEDMM N#C[C@H]1CC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000424969768 513346605 /nfs/dbraw/zinc/34/66/05/513346605.db2.gz JQTUXTNMODFECU-WMLDXEAASA-N -1 1 369.446 2.909 20 30 FFEDMM COCC1(C#N)CCN(c2ccc(=N[C@H](C)c3ccccc3)[n-]n2)CC1 ZINC000425257933 513478180 /nfs/dbraw/zinc/47/81/80/513478180.db2.gz VGZHEGJQJSRLKX-MRXNPFEDSA-N -1 1 351.454 2.828 20 30 FFEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(C(=O)N4CCCC4)n3)[nH]c21 ZINC000442732389 513761246 /nfs/dbraw/zinc/76/12/46/513761246.db2.gz MHSZUEFWEAGVRK-CQSZACIVSA-N -1 1 373.416 2.992 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)cc1Br ZINC000451558253 513833386 /nfs/dbraw/zinc/83/33/86/513833386.db2.gz ZAVDCNUOLAVNJJ-DTWKUNHWSA-N -1 1 365.199 2.629 20 30 FFEDMM COc1ccc([C@@H](C#N)N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000436755569 513968481 /nfs/dbraw/zinc/96/84/81/513968481.db2.gz OHDZTJNUVSOBTF-GOSISDBHSA-N -1 1 369.396 2.563 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1O ZINC000436802352 513986338 /nfs/dbraw/zinc/98/63/38/513986338.db2.gz BTEUYPQPCGVVNP-UHFFFAOYSA-N -1 1 366.782 2.505 20 30 FFEDMM CN(CC(C)(C)C#N)C(=O)c1cc(I)ccc1[O-] ZINC000436991235 514066241 /nfs/dbraw/zinc/06/62/41/514066241.db2.gz QWMZAJFHRYRKOG-UHFFFAOYSA-N -1 1 358.179 2.619 20 30 FFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC000416956909 514067215 /nfs/dbraw/zinc/06/72/15/514067215.db2.gz KKYTUXCEBRHCIP-AWEZNQCLSA-N -1 1 370.496 2.755 20 30 FFEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)C#N)cc2)cc1 ZINC000432124345 514100561 /nfs/dbraw/zinc/10/05/61/514100561.db2.gz JLMSQSFKTADPCG-ZDUSSCGKSA-N -1 1 373.434 2.528 20 30 FFEDMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2n(C)c1=O ZINC000427299458 514177140 /nfs/dbraw/zinc/17/71/40/514177140.db2.gz NBUUGINADXWODZ-UHFFFAOYSA-N -1 1 353.403 2.519 20 30 FFEDMM COCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc(C(=O)OC)c1 ZINC000427342220 514188803 /nfs/dbraw/zinc/18/88/03/514188803.db2.gz MNSNSWUCZCELJI-UHFFFAOYSA-N -1 1 374.418 2.601 20 30 FFEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3nccc(C)c3C#N)c2)n1 ZINC000432928796 514325551 /nfs/dbraw/zinc/32/55/51/514325551.db2.gz UQEOBZUGSSODRS-UHFFFAOYSA-N -1 1 362.393 2.836 20 30 FFEDMM Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433507236 514505595 /nfs/dbraw/zinc/50/55/95/514505595.db2.gz QYDVLXHDOJNTCO-UHFFFAOYSA-N -1 1 360.391 2.508 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)cn1 ZINC000479882366 514756822 /nfs/dbraw/zinc/75/68/22/514756822.db2.gz DNANYKVNCOJSCJ-OAHLLOKOSA-N -1 1 369.368 2.795 20 30 FFEDMM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000474396140 516029881 /nfs/dbraw/zinc/02/98/81/516029881.db2.gz OKBWNBRZOQYNTD-CQSZACIVSA-N -1 1 373.390 2.577 20 30 FFEDMM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)cn1 ZINC000469952070 516044635 /nfs/dbraw/zinc/04/46/35/516044635.db2.gz DUNOFDZNUWYZEL-UHFFFAOYSA-N -1 1 353.407 2.836 20 30 FFEDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000557872393 516481624 /nfs/dbraw/zinc/48/16/24/516481624.db2.gz NXBDCIGYDTXUDG-JDNHERCYSA-N -1 1 350.346 2.637 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Br)o1 ZINC000561506414 516621393 /nfs/dbraw/zinc/62/13/93/516621393.db2.gz VDWMKVHRUVMJSJ-CYBMUJFWSA-N -1 1 367.224 2.880 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3oc(=O)[nH]c3c2)n1 ZINC000558190695 516638674 /nfs/dbraw/zinc/63/86/74/516638674.db2.gz PMSXKJSFSGWFIR-SECBINFHSA-N -1 1 357.347 2.657 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3Cl)CC2)o1 ZINC000561538041 516639087 /nfs/dbraw/zinc/63/90/87/516639087.db2.gz HVHNITDTUZUHPT-UHFFFAOYSA-N -1 1 354.790 2.954 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=c2cc(C)n([C@H](C)C3CC3)[nH]2)cc1C#N ZINC000544261592 516667595 /nfs/dbraw/zinc/66/75/95/516667595.db2.gz WFBDBZDKOSNXIX-SNVBAGLBSA-N -1 1 357.439 2.531 20 30 FFEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)n(C2CCOCC2)n1 ZINC000529000235 516853406 /nfs/dbraw/zinc/85/34/06/516853406.db2.gz RNIIRZGTBFUQGO-OAHLLOKOSA-N -1 1 361.405 2.976 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2-n2ccnc2)cc1C#N ZINC000537582373 517241852 /nfs/dbraw/zinc/24/18/52/517241852.db2.gz HKVALLKGHJULQQ-UHFFFAOYSA-N -1 1 351.391 2.819 20 30 FFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000546707430 517808838 /nfs/dbraw/zinc/80/88/38/517808838.db2.gz NALCUVZETYCDBN-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM C=CCCCCCNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000572896537 518410699 /nfs/dbraw/zinc/41/06/99/518410699.db2.gz VGUHRZIDPWGCBG-UHFFFAOYSA-N -1 1 355.460 2.935 20 30 FFEDMM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc([O-])cc(C#N)c3)nc21 ZINC000590479886 519243539 /nfs/dbraw/zinc/24/35/39/519243539.db2.gz HSMMNOWEHKZZIL-ZDUSSCGKSA-N -1 1 371.418 2.956 20 30 FFEDMM COC(=O)c1cnc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(Cl)c1 ZINC000590592336 519278248 /nfs/dbraw/zinc/27/82/48/519278248.db2.gz KFQUUNIZOOSJKZ-UHFFFAOYSA-N -1 1 365.798 2.503 20 30 FFEDMM N#Cc1cnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000590695114 519320339 /nfs/dbraw/zinc/32/03/39/519320339.db2.gz ORDHPOSAXIJHEI-UHFFFAOYSA-N -1 1 352.350 2.666 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1C#N ZINC000594490390 520000210 /nfs/dbraw/zinc/00/02/10/520000210.db2.gz TZZFCLINIQIDIZ-FZMZJTMJSA-N -1 1 362.373 2.645 20 30 FFEDMM CCC[C@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000608815776 520137407 /nfs/dbraw/zinc/13/74/07/520137407.db2.gz HPMUZLXJNLLERR-MRXNPFEDSA-N -1 1 357.435 2.909 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1 ZINC000617636324 520616359 /nfs/dbraw/zinc/61/63/59/520616359.db2.gz KJRUMXQKGZBXFZ-TZIWHRDSSA-N -1 1 368.408 2.907 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)c1 ZINC000598511495 520671793 /nfs/dbraw/zinc/67/17/93/520671793.db2.gz ROEVPQMEMUWHGH-FQEVSTJZSA-N -1 1 366.417 2.889 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(COC[C@H]3CCCO3)c2)c1 ZINC000598511496 520672563 /nfs/dbraw/zinc/67/25/63/520672563.db2.gz ROEVPQMEMUWHGH-HXUWFJFHSA-N -1 1 366.417 2.889 20 30 FFEDMM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3nc4ncccn4n3)sc21 ZINC000598840669 520872186 /nfs/dbraw/zinc/87/21/86/520872186.db2.gz XORQYQQVYWXVOV-VHSXEESVSA-N -1 1 352.423 2.996 20 30 FFEDMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295648 520895759 /nfs/dbraw/zinc/89/57/59/520895759.db2.gz WIGJQSPLEVSBFD-LBPRGKRZSA-N -1 1 358.419 2.501 20 30 FFEDMM COc1ccccc1N1CC[C@@H](CNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614298099 520897585 /nfs/dbraw/zinc/89/75/85/520897585.db2.gz CMSPXCQCNSZBLR-AWEZNQCLSA-N -1 1 351.406 2.529 20 30 FFEDMM C[C@@H](CC#N)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000597117333 521517803 /nfs/dbraw/zinc/51/78/03/521517803.db2.gz OCKXNHDCAXCMPO-HNNXBMFYSA-N -1 1 371.462 2.996 20 30 FFEDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000619462214 521580565 /nfs/dbraw/zinc/58/05/65/521580565.db2.gz QIRCTEPHKUVWOU-UHFFFAOYSA-N -1 1 363.826 2.566 20 30 FFEDMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462207 521581592 /nfs/dbraw/zinc/58/15/92/521581592.db2.gz PMRWHXIPNLYMLF-CYBMUJFWSA-N -1 1 373.434 2.527 20 30 FFEDMM C=CCC[C@@H](C(=O)Nc1nc2nc(CC)cc(=O)n2[n-]1)c1ccccc1 ZINC000622993594 523602230 /nfs/dbraw/zinc/60/22/30/523602230.db2.gz UAEPCZCXOFQVQQ-OAHLLOKOSA-N -1 1 351.410 2.669 20 30 FFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1ccn(CCc2ccncc2)[nH]1 ZINC000470878306 560992723 /nfs/dbraw/zinc/99/27/23/560992723.db2.gz WOBGCZBGAAUWSE-IBGZPJMESA-N -1 1 370.416 2.713 20 30 FFEDMM CC1CCN([C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c2cccs2)CC1 ZINC000820237734 598222502 /nfs/dbraw/zinc/22/25/02/598222502.db2.gz CPDOFNNHUMSNLS-KDOFPFPSSA-N -1 1 363.483 2.642 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2csc(-c3cccs3)n2)o1 ZINC000737468115 598642281 /nfs/dbraw/zinc/64/22/81/598642281.db2.gz ZMMUUNFPEBGGJR-UHFFFAOYSA-N -1 1 358.412 2.794 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2[C@@H]3CCCO[C@@H]3C2(C)C)o1 ZINC000819966085 599336808 /nfs/dbraw/zinc/33/68/08/599336808.db2.gz WBSACKKSUCKVIU-CABZTGNLSA-N -1 1 359.434 2.755 20 30 FFEDMM CC(C)c1ccccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820196725 599339015 /nfs/dbraw/zinc/33/90/15/599339015.db2.gz ASQJGBVUKIFTGX-UHFFFAOYSA-N -1 1 355.427 2.904 20 30 FFEDMM CC(C)c1ccccc1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820196725 599339018 /nfs/dbraw/zinc/33/90/18/599339018.db2.gz ASQJGBVUKIFTGX-UHFFFAOYSA-N -1 1 355.427 2.904 20 30 FFEDMM C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc(C#N)cc1 ZINC000827728007 600692462 /nfs/dbraw/zinc/69/24/62/600692462.db2.gz OMVQZPWJSJHHFR-IAQYHMDHSA-N -1 1 355.419 2.774 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000825966656 601036833 /nfs/dbraw/zinc/03/68/33/601036833.db2.gz JBZXTESOQFVAOO-KZULUSFZSA-N -1 1 361.467 2.720 20 30 FFEDMM O=C([O-])c1ccc(CON=Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000833315618 601629128 /nfs/dbraw/zinc/62/91/28/601629128.db2.gz XGZAOJKNERZAAX-UHFFFAOYSA-N -1 1 358.369 2.911 20 30 FFEDMM C[C@@H](NC(=O)[O-])C1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000739016882 602425652 /nfs/dbraw/zinc/42/56/52/602425652.db2.gz WOPASRNWLLPKKZ-CQSZACIVSA-N -1 1 353.426 2.747 20 30 FFEDMM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCCC1 ZINC000740303239 602669972 /nfs/dbraw/zinc/66/99/72/602669972.db2.gz HTVNXTKFUYPTKW-SJORKVTESA-N -1 1 371.437 2.933 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)C(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000830968714 604212625 /nfs/dbraw/zinc/21/26/25/604212625.db2.gz JCOJZQWGXDIEPN-LSDHHAIUSA-N -1 1 362.389 2.801 20 30 FFEDMM N#CCSCCCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833068401 604358565 /nfs/dbraw/zinc/35/85/65/604358565.db2.gz YLEHOMVCDNMCSO-INIZCTEOSA-N -1 1 367.902 2.730 20 30 FFEDMM COc1cc2c(cc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000832103686 604778033 /nfs/dbraw/zinc/77/80/33/604778033.db2.gz XRDMWJCYMKBCTQ-BUXKBTBVSA-N -1 1 352.390 2.806 20 30 FFEDMM N#CC1(NC(=O)CN(CCCC(=O)[O-])Cc2ccccc2)CCCCC1 ZINC000833064746 604785696 /nfs/dbraw/zinc/78/56/96/604785696.db2.gz NCBFGYZQJNDDEL-UHFFFAOYSA-N -1 1 357.454 2.696 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000833515904 604965248 /nfs/dbraw/zinc/96/52/48/604965248.db2.gz PCJBFKJLUWSNKS-KGLIPLIRSA-N -1 1 361.467 2.958 20 30 FFEDMM N#CC(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccccc1Cl ZINC000833960133 605487381 /nfs/dbraw/zinc/48/73/81/605487381.db2.gz GGCZQVCKVCJQCW-VXGBXAGGSA-N -1 1 363.801 2.767 20 30 FFEDMM C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC000820696751 606368536 /nfs/dbraw/zinc/36/85/36/606368536.db2.gz BUKLSBJATJNTJN-SCVCMEIPSA-N -1 1 363.516 2.551 20 30 FFEDMM Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822215323 606369066 /nfs/dbraw/zinc/36/90/66/606369066.db2.gz VYVQZJRNDUWDAJ-UHFFFAOYSA-N -1 1 368.451 2.666 20 30 FFEDMM Cc1ccc(F)c(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822239985 606370822 /nfs/dbraw/zinc/37/08/22/606370822.db2.gz NFLJECHAJQGCKO-UHFFFAOYSA-N -1 1 361.431 2.696 20 30 FFEDMM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821692930 606390325 /nfs/dbraw/zinc/39/03/25/606390325.db2.gz JZTFVNNKMKWXSU-SOFGYWHQSA-N -1 1 356.407 2.850 20 30 FFEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819745708 606537216 /nfs/dbraw/zinc/53/72/16/606537216.db2.gz QBOCJNYHMDLGEP-UHFFFAOYSA-N -1 1 370.394 2.665 20 30 FFEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819745708 606537218 /nfs/dbraw/zinc/53/72/18/606537218.db2.gz QBOCJNYHMDLGEP-UHFFFAOYSA-N -1 1 370.394 2.665 20 30 FFEDMM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821719402 607151038 /nfs/dbraw/zinc/15/10/38/607151038.db2.gz DJIMALOKWBVDLR-HWKANZROSA-N -1 1 360.370 2.981 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c[nH]nc2-c2cccc(Cl)c2)o1 ZINC000826322749 607886826 /nfs/dbraw/zinc/88/68/26/607886826.db2.gz AIYDDIAJFYSPHX-UHFFFAOYSA-N -1 1 369.776 2.653 20 30 FFEDMM C#CCCCCC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000823841896 608322994 /nfs/dbraw/zinc/32/29/94/608322994.db2.gz UJZGBGZQCRFNHW-UHFFFAOYSA-N -1 1 364.409 2.598 20 30 FFEDMM N#Cc1cccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826386767 609279410 /nfs/dbraw/zinc/27/94/10/609279410.db2.gz RZSHRNANCSCFIB-UHFFFAOYSA-N -1 1 360.356 2.675 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000157834037 728877927 /nfs/dbraw/zinc/87/79/27/728877927.db2.gz AWINKLPAMPMBST-UHFFFAOYSA-N -1 1 359.476 2.912 20 30 FFEDMM CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000125292418 728681838 /nfs/dbraw/zinc/68/18/38/728681838.db2.gz RXIFYZSKQTWPJD-KRXBUXKQSA-N -1 1 351.811 2.850 20 30 FFEDMM O=C(Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NO ZINC000169045215 728980098 /nfs/dbraw/zinc/98/00/98/728980098.db2.gz DNMDRQBDEUPVQW-UHFFFAOYSA-N -1 1 374.340 2.554 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000177014820 729126197 /nfs/dbraw/zinc/12/61/97/729126197.db2.gz OVLGSHAMKDEABV-UHFFFAOYSA-N -1 1 351.653 2.579 20 30 FFEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000859423640 730454274 /nfs/dbraw/zinc/45/42/74/730454274.db2.gz HPJPKXQMKVLFDR-SNVBAGLBSA-N -1 1 354.230 2.839 20 30 FFEDMM CC(=NN[C@H]1CCOC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863110374 730750750 /nfs/dbraw/zinc/75/07/50/730750750.db2.gz QKIOZSMKCCNRQW-KRWDZBQOSA-N -1 1 359.451 2.590 20 30 FFEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000872004604 731716752 /nfs/dbraw/zinc/71/67/52/731716752.db2.gz RWABHJZAXBOKSA-UHFFFAOYSA-N -1 1 352.382 2.580 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccccc1 ZINC000882304703 733206164 /nfs/dbraw/zinc/20/61/64/733206164.db2.gz LFCBEUOOGDUGMO-OPAMFIHVSA-N -1 1 354.497 2.626 20 30 FFEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)cc1 ZINC000886394283 733781598 /nfs/dbraw/zinc/78/15/98/733781598.db2.gz YEZITIABSZWWGU-UHFFFAOYSA-N -1 1 356.451 2.939 20 30 FFEDMM Cc1cccc2c1CCC2=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000729144884 734561495 /nfs/dbraw/zinc/56/14/95/734561495.db2.gz BNERVTAAZNKFFG-UHFFFAOYSA-N -1 1 359.407 2.673 20 30 FFEDMM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000783900950 738846744 /nfs/dbraw/zinc/84/67/44/738846744.db2.gz OPDIGUOSXZSTGY-SECBINFHSA-N -1 1 362.183 2.827 20 30 FFEDMM CN(Cc1cc(C#N)cs1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000896755651 735182431 /nfs/dbraw/zinc/18/24/31/735182431.db2.gz SOBDBTBURIJCMB-UHFFFAOYSA-N -1 1 351.378 2.988 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000748248842 735630196 /nfs/dbraw/zinc/63/01/96/735630196.db2.gz ZJTFTGSUZGVLSC-UHFFFAOYSA-N -1 1 373.312 2.715 20 30 FFEDMM Cc1nc(N2CCCN(Cc3ccc(C#N)cc3)CC2)sc1C(=O)[O-] ZINC000900945936 735724933 /nfs/dbraw/zinc/72/49/33/735724933.db2.gz LZVQCXAJAWKUKW-UHFFFAOYSA-N -1 1 356.451 2.734 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901620522 735806985 /nfs/dbraw/zinc/80/69/85/735806985.db2.gz XCQSVBTZPAGUKA-SFHVURJKSA-N -1 1 356.451 2.996 20 30 FFEDMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)n1 ZINC000751076401 735844159 /nfs/dbraw/zinc/84/41/59/735844159.db2.gz WJJJQCHVUYIJIN-UHFFFAOYSA-N -1 1 353.444 2.930 20 30 FFEDMM O=S(=O)(NN=Cc1cccc(F)c1[O-])c1ccc(Br)cc1 ZINC000755490845 736257021 /nfs/dbraw/zinc/25/70/21/736257021.db2.gz IXZXAWVGWDEVRG-UHFFFAOYSA-N -1 1 373.203 2.606 20 30 FFEDMM C=C(Cl)C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908743265 736823808 /nfs/dbraw/zinc/82/38/08/736823808.db2.gz MZUJXIVCGATAHT-UONOGXRCSA-N -1 1 369.849 2.702 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(F)cc2Cl)cc1 ZINC000767778757 737367590 /nfs/dbraw/zinc/36/75/90/737367590.db2.gz CWMUSDDDPKBIHA-UHFFFAOYSA-N -1 1 371.777 2.841 20 30 FFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914124922 737511653 /nfs/dbraw/zinc/51/16/53/737511653.db2.gz RGLHMXDGUSUONV-UZJPJQLHSA-N -1 1 356.391 2.832 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000769645028 737549597 /nfs/dbraw/zinc/54/95/97/737549597.db2.gz QJWCGNFANTYGMK-ZDUSSCGKSA-N -1 1 360.410 2.720 20 30 FFEDMM CC[C@@](C)(C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000769742174 737560293 /nfs/dbraw/zinc/56/02/93/737560293.db2.gz FNBWJKINANCEMQ-AWEZNQCLSA-N -1 1 359.304 2.925 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000770663035 737650259 /nfs/dbraw/zinc/65/02/59/737650259.db2.gz OOTWZISERGVPJK-CQSZACIVSA-N -1 1 357.435 2.973 20 30 FFEDMM [O-]c1ccc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)cc1Br ZINC000916366710 737698600 /nfs/dbraw/zinc/69/86/00/737698600.db2.gz LPHDNAAENLDFMZ-NSHDSACASA-N -1 1 369.244 2.769 20 30 FFEDMM C=CCN1C(=S)N[C@@H](c2ccc([O-])c(Cl)c2)C(C(=O)N(C)C)=C1C ZINC000921295432 737957659 /nfs/dbraw/zinc/95/76/59/737957659.db2.gz UPWYSHHIGZYGBA-HNNXBMFYSA-N -1 1 365.886 2.825 20 30 FFEDMM C#CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000792479121 739674408 /nfs/dbraw/zinc/67/44/08/739674408.db2.gz UMJVESXINPCZRM-UHFFFAOYSA-N -1 1 360.410 2.640 20 30 FFEDMM C#C[C@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(Cl)cc1F ZINC000806487183 741063986 /nfs/dbraw/zinc/06/39/86/741063986.db2.gz SMPAFGSPMNJZCB-AWEZNQCLSA-N -1 1 357.776 2.630 20 30 FFEDMM CCSCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000807962137 741174459 /nfs/dbraw/zinc/17/44/59/741174459.db2.gz DCWYDLGXOCXIPC-UHFFFAOYSA-N -1 1 359.476 2.883 20 30 FFEDMM C=CCSCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809811860 741346575 /nfs/dbraw/zinc/34/65/75/741346575.db2.gz SKBKUBZWNNONFN-UHFFFAOYSA-N -1 1 354.812 2.585 20 30 FFEDMM COCc1nc(Cl)cc(NN=C(C)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000814978596 741878225 /nfs/dbraw/zinc/87/82/25/741878225.db2.gz NOHYHUKNIFDKCT-UHFFFAOYSA-N -1 1 351.750 2.726 20 30 FFEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1cccs1 ZINC000823937360 743001640 /nfs/dbraw/zinc/00/16/40/743001640.db2.gz UKLJAXBHHVWKMG-UHFFFAOYSA-N -1 1 368.451 2.919 20 30 FFEDMM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1cccs1 ZINC000823937360 743001650 /nfs/dbraw/zinc/00/16/50/743001650.db2.gz UKLJAXBHHVWKMG-UHFFFAOYSA-N -1 1 368.451 2.919 20 30 FFEDMM C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832597737 745725777 /nfs/dbraw/zinc/72/57/77/745725777.db2.gz ZXEPRECAKVXUKX-MRVPVSSYSA-N -1 1 369.226 2.507 20 30 FFEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N(C)[C@H](C)CC#N)c1 ZINC000836738749 746294679 /nfs/dbraw/zinc/29/46/79/746294679.db2.gz NZKHIXMYENASPO-LLVKDONJSA-N -1 1 356.348 2.939 20 30 FFEDMM COCC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000839356401 746816530 /nfs/dbraw/zinc/81/65/30/746816530.db2.gz OKWOBIMUVWKAGQ-ZDUSSCGKSA-N -1 1 361.186 2.976 20 30 FFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000840536842 747119998 /nfs/dbraw/zinc/11/99/98/747119998.db2.gz BSCZYEAUWNSRQV-GJZGRUSLSA-N -1 1 356.388 2.993 20 30 FFEDMM C#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000851531438 749612950 /nfs/dbraw/zinc/61/29/50/749612950.db2.gz HRTGIWPJOMXUKA-CHWSQXEVSA-N -1 1 353.440 2.705 20 30 FFEDMM C=CCCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000852521285 749882810 /nfs/dbraw/zinc/88/28/10/749882810.db2.gz WIFQBQYEWUBJLX-OLZOCXBDSA-N -1 1 364.408 2.806 20 30 FFEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cc2n(n1)CCC2 ZINC000853280799 750043168 /nfs/dbraw/zinc/04/31/68/750043168.db2.gz PBRFCKNKSBGWCK-UHFFFAOYSA-N -1 1 356.480 2.884 20 30 FFEDMM CC1(C)C(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000853297460 750045479 /nfs/dbraw/zinc/04/54/79/750045479.db2.gz FBRIWVOKCCJDBY-UONOGXRCSA-N -1 1 351.428 2.826 20 30 FFEDMM N#C[C@H](C(=O)C[C@H]1CCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817754 845179141 /nfs/dbraw/zinc/17/91/41/845179141.db2.gz ZDWWKLNZEJCAPS-ZYHUDNBSSA-N -1 1 357.435 2.609 20 30 FFEDMM C=CC[S@](=O)(=NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC001573347946 947579994 /nfs/dbraw/zinc/57/99/94/947579994.db2.gz KFWRWFZCYUBFKV-AREMUKBSSA-N -1 1 371.397 2.859 20 30 FFEDMM C=CC[S@](=O)(=NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC001573347946 947580001 /nfs/dbraw/zinc/58/00/01/947580001.db2.gz KFWRWFZCYUBFKV-AREMUKBSSA-N -1 1 371.397 2.859 20 30 FFEDMM CN(C)S(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)c(C#N)c2)c1 ZINC001174404456 1013216003 /nfs/dbraw/zinc/21/60/03/1013216003.db2.gz OQGZYFCWCCLCPO-UHFFFAOYSA-N -1 1 351.815 2.911 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3Cl)c2)c(=O)o1 ZINC000215305223 964324521 /nfs/dbraw/zinc/32/45/21/964324521.db2.gz PXTVHKAUPOINFG-MJRGOJFPSA-N -1 1 370.792 2.813 20 30 FFEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccn1 ZINC000136101200 970739971 /nfs/dbraw/zinc/73/99/71/970739971.db2.gz AEOYTJWKDIPMJS-AWEZNQCLSA-N -1 1 356.389 2.953 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001211683466 975159334 /nfs/dbraw/zinc/15/93/34/975159334.db2.gz FXMLRBCQEWJCQW-BXKDBHETSA-N -1 1 351.255 2.648 20 30 FFEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc([O-])c(Cl)c3)C2)nc1 ZINC000876396253 1014255310 /nfs/dbraw/zinc/25/53/10/1014255310.db2.gz BDWBKTBCKWPXOT-CQSZACIVSA-N -1 1 372.812 2.675 20 30 FFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC001211719329 977428471 /nfs/dbraw/zinc/42/84/71/977428471.db2.gz HGYXLVFAPNULTN-SECBINFHSA-N -1 1 364.236 2.677 20 30 FFEDMM COc1c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)ccc(F)c1C#N ZINC001167939238 978239596 /nfs/dbraw/zinc/23/95/96/978239596.db2.gz RCBAIFRKONLIPH-UHFFFAOYSA-N -1 1 362.297 2.791 20 30 FFEDMM N#Cc1cc2ccc(NC(=N)SCCS(=O)(=O)[O-])cc2cc1C#N ZINC001168092280 979276836 /nfs/dbraw/zinc/27/68/36/979276836.db2.gz BLTGQYDSUZJXDG-UHFFFAOYSA-N -1 1 360.420 2.551 20 30 FFEDMM Cn1cc(CN2C[C@@H]3CCN(C(=O)c4ccccc4[S-])[C@@H]3C2)cc1C#N ZINC001272013375 979720199 /nfs/dbraw/zinc/72/01/99/979720199.db2.gz NNQWWOODTWLANQ-MAUKXSAKSA-N -1 1 366.490 2.532 20 30 FFEDMM N#Cc1cccc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC000877596763 1014638714 /nfs/dbraw/zinc/63/87/14/1014638714.db2.gz SNKKFHWHWMHECD-HNNXBMFYSA-N -1 1 360.339 2.563 20 30 FFEDMM Cc1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc(C)c1C#N ZINC000908284162 981406401 /nfs/dbraw/zinc/40/64/01/981406401.db2.gz ASRHQRPTVXMJQC-CYBMUJFWSA-N -1 1 367.371 2.706 20 30 FFEDMM O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000908706922 981507826 /nfs/dbraw/zinc/50/78/26/981507826.db2.gz BFKQJUWNKIWYSF-LJQANCHMSA-N -1 1 362.429 2.822 20 30 FFEDMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000908706922 981507835 /nfs/dbraw/zinc/50/78/35/981507835.db2.gz BFKQJUWNKIWYSF-LJQANCHMSA-N -1 1 362.429 2.822 20 30 FFEDMM CN(C)c1ccc2c(c1)N(C)C(=O)C2=N[N-]c1nc(-c2ccccc2)no1 ZINC000761803193 987843292 /nfs/dbraw/zinc/84/32/92/987843292.db2.gz DQHVVLLEFFSQLC-UHFFFAOYSA-N -1 1 362.393 2.595 20 30 FFEDMM CN(C)c1ccc2c(c1)N(C)C(=O)C2=NN=c1nc(-c2ccccc2)[n-]o1 ZINC000761803193 987843295 /nfs/dbraw/zinc/84/32/95/987843295.db2.gz DQHVVLLEFFSQLC-UHFFFAOYSA-N -1 1 362.393 2.595 20 30 FFEDMM C=C(C)Cn1c(COC)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000670232902 989089852 /nfs/dbraw/zinc/08/98/52/989089852.db2.gz FFNYZJJRUPCYTG-UHFFFAOYSA-N -1 1 370.453 2.806 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N=C3C[C@H](C)ON3)c2)cc1 ZINC000763259066 989322630 /nfs/dbraw/zinc/32/26/30/989322630.db2.gz JJYGJUVFLUEBHS-ZDUSSCGKSA-N -1 1 373.434 2.648 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cn(-c2ccccc2)nn1 ZINC000916909910 990032088 /nfs/dbraw/zinc/03/20/88/990032088.db2.gz DZOOAFZEVBVLSJ-ZDUSSCGKSA-N -1 1 365.780 2.882 20 30 FFEDMM N#CC1(c2ccc(Nc3cc(S(=O)(=O)C(N)=O)ccc3[O-])cc2)CC1 ZINC001212263213 991192668 /nfs/dbraw/zinc/19/26/68/991192668.db2.gz WEVMVAHIFFQKKN-UHFFFAOYSA-N -1 1 357.391 2.957 20 30 FFEDMM CSc1nc(C)c(CCC(=O)OC[C@@H](C#N)Cc2ccccc2)c(=O)[n-]1 ZINC000175390345 991197744 /nfs/dbraw/zinc/19/77/44/991197744.db2.gz TXYVDMXWEJCYFF-OAHLLOKOSA-N -1 1 371.462 2.659 20 30 FFEDMM C=CC(C)(C)CC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000879814760 1015684668 /nfs/dbraw/zinc/68/46/68/1015684668.db2.gz KRBWFKDBXDVMTP-UHFFFAOYSA-N -1 1 356.426 2.867 20 30 FFEDMM COc1ccccc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nccn1C ZINC000809581853 994540070 /nfs/dbraw/zinc/54/00/70/994540070.db2.gz PMMBMGKGRBVGGJ-SFHVURJKSA-N -1 1 362.389 2.525 20 30 FFEDMM C=CCOCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000679495202 1016079385 /nfs/dbraw/zinc/07/93/85/1016079385.db2.gz AXMRUPQBQZHFKQ-UHFFFAOYSA-N -1 1 374.462 2.728 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000731154449 997718254 /nfs/dbraw/zinc/71/82/54/997718254.db2.gz MCJJHMFOFJSLEQ-UHFFFAOYSA-N -1 1 356.389 2.839 20 30 FFEDMM C/C=C/C=C/C(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001143992764 997921853 /nfs/dbraw/zinc/92/18/53/997921853.db2.gz IGWYBPOTPQFTCH-QRLXWQPJSA-N -1 1 365.752 2.873 20 30 FFEDMM C=CCOC(=O)N1CC2(C1)CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144541780 998638409 /nfs/dbraw/zinc/63/84/09/998638409.db2.gz LDYBCAAKTYNWGM-UHFFFAOYSA-N -1 1 352.381 2.891 20 30 FFEDMM C=CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(OC)s1 ZINC001169860251 1000082258 /nfs/dbraw/zinc/08/22/58/1000082258.db2.gz SSUDAEZWRQIQRP-UHFFFAOYSA-N -1 1 357.395 2.550 20 30 FFEDMM Cc1oc(C#N)cc1C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806017874 1000213147 /nfs/dbraw/zinc/21/31/47/1000213147.db2.gz KMRYYPKZOLFBMT-UHFFFAOYSA-N -1 1 364.361 2.725 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cccc(-c3cccnc3)c2)c2ccccc21 ZINC000768482019 1000255701 /nfs/dbraw/zinc/25/57/01/1000255701.db2.gz GQAGCZXEARGFSX-UHFFFAOYSA-N -1 1 362.414 2.821 20 30 FFEDMM COC(=O)C1(C#N)CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])CC1 ZINC001148868821 1001224648 /nfs/dbraw/zinc/22/46/48/1001224648.db2.gz CGSMFOQMTCSOIN-UHFFFAOYSA-N -1 1 364.401 2.978 20 30 FFEDMM COCC#CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000785509898 1001453324 /nfs/dbraw/zinc/45/33/24/1001453324.db2.gz KHNSLCISEJBSOO-UHFFFAOYSA-N -1 1 373.430 2.602 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785587509 1001454761 /nfs/dbraw/zinc/45/47/61/1001454761.db2.gz IUGAGLAZYRKQIJ-CYBMUJFWSA-N -1 1 359.426 2.641 20 30 FFEDMM C#CCn1ccc(CN(CC)c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)n1 ZINC000788565574 1001825084 /nfs/dbraw/zinc/82/50/84/1001825084.db2.gz LBTWGKIXQGLTAJ-UHFFFAOYSA-N -1 1 362.437 2.717 20 30 FFEDMM N#Cc1cncnc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001185430209 1002941334 /nfs/dbraw/zinc/94/13/34/1002941334.db2.gz UZWOKVHYZROLQW-UHFFFAOYSA-N -1 1 352.375 2.941 20 30 FFEDMM N#Cc1cccc([N-]S(=O)(=O)c2cncc(Br)c2)c1F ZINC001186410766 1003304931 /nfs/dbraw/zinc/30/49/31/1003304931.db2.gz GNAJCYKAJXETSG-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM N#Cc1ccc(-c2csc(NC(=O)c3c[nH]c(=S)[n-]c3=O)n2)s1 ZINC001196013759 1003636252 /nfs/dbraw/zinc/63/62/52/1003636252.db2.gz GKLUELLGSKFRFA-UHFFFAOYSA-N -1 1 361.433 2.780 20 30 FFEDMM COCc1n[nH]c2c1CN(C(=O)c1cc([O-])cc(-c3cccc(C#N)c3)c1)C2 ZINC001196315582 1003732793 /nfs/dbraw/zinc/73/27/93/1003732793.db2.gz FXNROCIVBQKCRH-UHFFFAOYSA-N -1 1 374.400 2.956 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ncnn4cccc34)c2)c1 ZINC001196298360 1003739583 /nfs/dbraw/zinc/73/95/83/1003739583.db2.gz UIXYAAOMDMUCDQ-UHFFFAOYSA-N -1 1 355.357 2.648 20 30 FFEDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC001192076884 1004040518 /nfs/dbraw/zinc/04/05/18/1004040518.db2.gz AQIDRMFYUMLGBR-UHFFFAOYSA-N -1 1 352.272 2.729 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)c1 ZINC001197114330 1004089193 /nfs/dbraw/zinc/08/91/93/1004089193.db2.gz DVOKJDIOGLZILD-CMDGGOBGSA-N -1 1 356.403 2.740 20 30 FFEDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)c2)o1 ZINC001192264466 1004109399 /nfs/dbraw/zinc/10/93/99/1004109399.db2.gz BUQJPRVDDQVVKY-UHFFFAOYSA-N -1 1 358.354 2.857 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2CO)ccc1Br ZINC001197310865 1004157331 /nfs/dbraw/zinc/15/73/31/1004157331.db2.gz NDEMIRDRRAVSRK-UHFFFAOYSA-N -1 1 367.224 2.614 20 30 FFEDMM CCOC(=O)c1[n-]cnc1NC(=O)c1ccc(-c2ccc(C#N)cc2)o1 ZINC001197388082 1004186972 /nfs/dbraw/zinc/18/69/72/1004186972.db2.gz TYLYWZKRAKNKRE-UHFFFAOYSA-N -1 1 350.334 2.970 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)CC#N)n(Cc2ccc(C(F)(F)F)cc2)n1 ZINC001192943042 1004322870 /nfs/dbraw/zinc/32/28/70/1004322870.db2.gz HPPMUMMOFWLIMW-UHFFFAOYSA-N -1 1 358.345 2.524 20 30 FFEDMM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cccc(C#C[Si](C)(C)C)c1 ZINC001193064641 1004359387 /nfs/dbraw/zinc/35/93/87/1004359387.db2.gz TZRKGVGATCUWJF-UHFFFAOYSA-N -1 1 367.543 2.999 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1Br ZINC001193104619 1004374758 /nfs/dbraw/zinc/37/47/58/1004374758.db2.gz LGBLQRYISAOAIK-RXMQYKEDSA-N -1 1 358.139 2.517 20 30 FFEDMM N#Cc1cccc(C(=O)Nc2n[nH]c3ncc(Br)cc23)c1[O-] ZINC001193635199 1004531493 /nfs/dbraw/zinc/53/14/93/1004531493.db2.gz QHGIWDNBYRTKAX-UHFFFAOYSA-N -1 1 358.155 2.550 20 30 FFEDMM CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)c(F)c1 ZINC001193680726 1004548825 /nfs/dbraw/zinc/54/88/25/1004548825.db2.gz CDYMLYIHIZGJLV-UHFFFAOYSA-N -1 1 350.371 2.905 20 30 FFEDMM N#CC1(NC(=O)c2ccc(F)c([O-])c2F)CCN(Cc2ccccc2)CC1 ZINC001193793509 1004572326 /nfs/dbraw/zinc/57/23/26/1004572326.db2.gz PXNPDPLUOACHTL-UHFFFAOYSA-N -1 1 371.387 2.959 20 30 FFEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ccnc(OCC(F)(F)F)n1 ZINC001199184474 1004861403 /nfs/dbraw/zinc/86/14/03/1004861403.db2.gz RBFFAKNOHIGDMJ-UHFFFAOYSA-N -1 1 358.226 2.820 20 30 FFEDMM COC(=O)c1cc(-c2ccc(C(=O)Nc3ccc(C#N)cc3[O-])cc2)on1 ZINC001195023893 1004872226 /nfs/dbraw/zinc/87/22/26/1004872226.db2.gz KKGBGKOCOWGSBC-UHFFFAOYSA-N -1 1 363.329 2.958 20 30 FFEDMM Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1C#N ZINC001195244032 1004921617 /nfs/dbraw/zinc/92/16/17/1004921617.db2.gz BMZMYKWZGDBIKC-UHFFFAOYSA-N -1 1 366.345 2.952 20 30 FFEDMM C=CCOC(=O)N1CCC2(CCCN(C(=O)c3nc(C)ccc3[O-])C2)CC1 ZINC001195317942 1004940723 /nfs/dbraw/zinc/94/07/23/1004940723.db2.gz FSEPFFDYTMLURN-UHFFFAOYSA-N -1 1 373.453 2.736 20 30 FFEDMM N#Cc1cnc(C(=O)[N-]c2c(F)cc(F)c(F)c2Br)cn1 ZINC001199666355 1005001467 /nfs/dbraw/zinc/00/14/67/1005001467.db2.gz TUECRGLFABRODP-UHFFFAOYSA-N -1 1 357.089 2.780 20 30 FFEDMM N#Cc1cccc(Br)c1NS(=O)(=O)c1ccc(O)cc1 ZINC001195796974 1005046069 /nfs/dbraw/zinc/04/60/69/1005046069.db2.gz UAVHJPZOENLVJE-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2F)cc1C#N ZINC001201293520 1005195400 /nfs/dbraw/zinc/19/54/00/1005195400.db2.gz YQDCUSQOTIWZOS-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C2CC2)C3)cc1C#N ZINC001201323299 1005200066 /nfs/dbraw/zinc/20/00/66/1005200066.db2.gz AFJHIDQSSKAJAL-UHFFFAOYSA-N -1 1 367.430 2.786 20 30 FFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(=O)OC)oc2C)cc1 ZINC000850760944 1005837175 /nfs/dbraw/zinc/83/71/75/1005837175.db2.gz YFUZQMBXAQVFKJ-HNNXBMFYSA-N -1 1 354.362 2.898 20 30 FFEDMM C=C(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852266323 1005958845 /nfs/dbraw/zinc/95/88/45/1005958845.db2.gz NZOLLDCGGSTSPL-HUUCEWRRSA-N -1 1 369.387 2.809 20 30 FFEDMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C#N ZINC001187579330 1006162311 /nfs/dbraw/zinc/16/23/11/1006162311.db2.gz URZGSPXLDNWIJT-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)Cc2ccccc2C1 ZINC001187989223 1006355548 /nfs/dbraw/zinc/35/55/48/1006355548.db2.gz ZQJWHTKTBDMXAH-UHFFFAOYSA-N -1 1 368.245 2.728 20 30 FFEDMM Cc1n[nH]cc1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001188051003 1006374856 /nfs/dbraw/zinc/37/48/56/1006374856.db2.gz ZYHGFJOGMUASEX-REZTVBANSA-N -1 1 354.395 2.505 20 30 FFEDMM COc1ccc([C@@]2(C)NC(=O)N(N=Cc3cccc([O-])c3Cl)C2=O)cc1 ZINC000814746106 1006420851 /nfs/dbraw/zinc/42/08/51/1006420851.db2.gz QHDYEDKCLJIESH-GOSISDBHSA-N -1 1 373.796 2.855 20 30 FFEDMM Cc1cc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc(C#N)c1[N+](=O)[O-] ZINC000853637583 1006489941 /nfs/dbraw/zinc/48/99/41/1006489941.db2.gz SZIIAZLVKCQMCL-NSHDSACASA-N -1 1 370.331 2.670 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C3OCCO3)c2)n1 ZINC000775241772 1007039421 /nfs/dbraw/zinc/03/94/21/1007039421.db2.gz XZRZWQYCAKOUNJ-ZDUSSCGKSA-N -1 1 372.402 2.855 20 30 FFEDMM N#Cc1ccccc1OCCCNC(=O)c1cc(=O)c2cccc(O)c2[n-]1 ZINC001152681899 1032218226 /nfs/dbraw/zinc/21/82/26/1032218226.db2.gz RTOHSWJKOMFTGQ-UHFFFAOYSA-N -1 1 363.373 2.717 20 30 FFEDMM C=CCCO[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817492185 1007619904 /nfs/dbraw/zinc/61/99/04/1007619904.db2.gz HVWFKSQORRFIGR-GXTWGEPZSA-N -1 1 370.371 2.604 20 30 FFEDMM COc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC001136149322 1007938483 /nfs/dbraw/zinc/93/84/83/1007938483.db2.gz GECMUCXLBFZFAL-OAHLLOKOSA-N -1 1 373.434 2.703 20 30 FFEDMM Cc1cn2nnc(C(=O)[N-]c3ccccc3S[C@@H](C)CC#N)c2c(=O)[nH]1 ZINC001136764062 1009175148 /nfs/dbraw/zinc/17/51/48/1009175148.db2.gz ODXCRVNHNNFONA-NSHDSACASA-N -1 1 368.422 2.785 20 30 FFEDMM C[C@@H]1OCC[C@@H]1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001178956685 1009205142 /nfs/dbraw/zinc/20/51/42/1009205142.db2.gz PSFDTULYUBZPPM-GMPPNSSKSA-N -1 1 358.423 2.585 20 30 FFEDMM COC(=O)c1c(F)cccc1N=NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794939145 1011021651 /nfs/dbraw/zinc/02/16/51/1011021651.db2.gz WIHXRTOFCBZJCU-NSHDSACASA-N -1 1 360.341 2.910 20 30 FFEDMM N#Cc1cccc(O[N-]C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000870693371 1012529291 /nfs/dbraw/zinc/52/92/91/1012529291.db2.gz FKEUOJJHDZXXCV-UHFFFAOYSA-N -1 1 367.449 2.691 20 30 FFEDMM COc1ccc(-n2cc([O-])c(C(=O)OCC#Cc3ccc(F)cc3)n2)cc1 ZINC000801364638 1018889639 /nfs/dbraw/zinc/88/96/39/1018889639.db2.gz AISHEVFOLVFFRY-UHFFFAOYSA-N -1 1 366.348 2.934 20 30 FFEDMM O=C(COc1cccc(NC(=O)C2CC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901374439 1019016059 /nfs/dbraw/zinc/01/60/59/1019016059.db2.gz IMDZMXVFMTUHBE-UHFFFAOYSA-N -1 1 358.369 2.971 20 30 FFEDMM COC(=O)c1c(F)cccc1N=NCc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000800818545 1020568972 /nfs/dbraw/zinc/56/89/72/1020568972.db2.gz CSJMMSQBQKISAU-NSHDSACASA-N -1 1 360.341 2.910 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C(F)(F)F)s1 ZINC001117139471 1021584145 /nfs/dbraw/zinc/58/41/45/1021584145.db2.gz NPJICICSBYXXNF-UHFFFAOYSA-N -1 1 360.338 2.646 20 30 FFEDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1F ZINC001117647477 1021795516 /nfs/dbraw/zinc/79/55/16/1021795516.db2.gz PBUNSDBGMMUOIT-UHFFFAOYSA-N -1 1 362.382 2.788 20 30 FFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)c1 ZINC000757474458 1023823200 /nfs/dbraw/zinc/82/32/00/1023823200.db2.gz TVXLWMCXZQWZPC-GORDUTHDSA-N -1 1 353.309 2.706 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1 ZINC000795361399 1025701504 /nfs/dbraw/zinc/70/15/04/1025701504.db2.gz NDUHHBOEDPTLER-POHAHGRESA-N -1 1 371.418 2.587 20 30 FFEDMM N#Cc1cnnc(-c2ccccc2)c1NC(=O)c1cnc2cccnc2c1[O-] ZINC001153852206 1028024253 /nfs/dbraw/zinc/02/42/53/1028024253.db2.gz ZIKBKFWKNTTWQN-UHFFFAOYSA-N -1 1 368.356 2.504 20 30 FFEDMM C=CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc3ccc(C)nc3c2[O-])C1 ZINC001155658779 1028838427 /nfs/dbraw/zinc/83/84/27/1028838427.db2.gz QRPWSUUJWFCWDH-HNNXBMFYSA-N -1 1 369.421 2.766 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(N2CCNC2=O)c1C ZINC000782508145 1029724394 /nfs/dbraw/zinc/72/43/94/1029724394.db2.gz BXSVRGOQUMPQTC-UHFFFAOYSA-N -1 1 370.434 2.506 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000783831137 1030297819 /nfs/dbraw/zinc/29/78/19/1030297819.db2.gz XFQWTJGTEJUTBJ-CABCVRRESA-N -1 1 359.426 2.830 20 30 FFEDMM N#Cc1cccnc1-n1cc([N-]S(=O)(=O)/C=C/c2ccccc2F)cn1 ZINC000799924277 1031925314 /nfs/dbraw/zinc/92/53/14/1031925314.db2.gz BCGHZHKINYFSPV-VQHVLOKHSA-N -1 1 369.381 2.691 20 30 FFEDMM C#C[C@@H](Oc1[n-]c(=O)ncc1I)c1ccccc1 ZINC001226771464 1034828935 /nfs/dbraw/zinc/82/89/35/1034828935.db2.gz XCDKOLKHOLJXGY-LLVKDONJSA-N -1 1 352.131 2.540 20 30 FFEDMM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227710067 1035689613 /nfs/dbraw/zinc/68/96/13/1035689613.db2.gz HVFDIEFCRGAYAW-DGCLKSJQSA-N -1 1 363.414 2.718 20 30 FFEDMM COC[C@@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2nn(CC3CC3)cc21 ZINC001233384462 1036584551 /nfs/dbraw/zinc/58/45/51/1036584551.db2.gz XADMGTBXUYOLOV-KRWDZBQOSA-N -1 1 352.438 2.616 20 30 FFEDMM CC[C@@H](C#CC(=O)OC)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229515542 1036715741 /nfs/dbraw/zinc/71/57/41/1036715741.db2.gz VHCOQKSXMJUJOE-ZDUSSCGKSA-N -1 1 352.342 2.986 20 30 FFEDMM O=C(/C=C/c1ccc(O)c(O)c1)c1ccc([O-])cc1OC[C@H]1COC(=O)O1 ZINC001229586642 1036765821 /nfs/dbraw/zinc/76/58/21/1036765821.db2.gz IMYBEEHWRBEBOH-CCRVJLMDSA-N -1 1 372.329 2.614 20 30 FFEDMM C#C[C@H](CC(C)C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792720 1036899569 /nfs/dbraw/zinc/89/95/69/1036899569.db2.gz SJXBWBUNEHOJAG-GFCCVEGCSA-N -1 1 372.373 2.872 20 30 FFEDMM C=C1O[C@H](C)C(=O)C1Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234742177 1037162044 /nfs/dbraw/zinc/16/20/44/1037162044.db2.gz NDOGCGDLWVQNRP-MRVPVSSYSA-N -1 1 354.314 2.956 20 30 FFEDMM CC[C@@H](C#CC(=O)OC)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234749399 1037167655 /nfs/dbraw/zinc/16/76/55/1037167655.db2.gz ZXSGBNVBJSSGAC-ZDUSSCGKSA-N -1 1 368.341 2.691 20 30 FFEDMM C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)C1=O ZINC001276557471 1038064683 /nfs/dbraw/zinc/06/46/83/1038064683.db2.gz AJSLUCPMONYWAZ-LJQANCHMSA-N -1 1 364.392 2.588 20 30 FFEDMM C=CCOC[C@@H](O)CNc1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC001252480047 1039553820 /nfs/dbraw/zinc/55/38/20/1039553820.db2.gz GBHKWHOFBMHUJJ-LBPRGKRZSA-N -1 1 373.293 2.974 20 30 FFEDMM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1F ZINC001259012301 1039654017 /nfs/dbraw/zinc/65/40/17/1039654017.db2.gz ZJWRTJMKVWWJBH-UHFFFAOYSA-N -1 1 374.802 3.000 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc(Br)n1 ZINC001259118368 1039728582 /nfs/dbraw/zinc/72/85/82/1039728582.db2.gz MSFXFDJKLZHQKI-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM COC(=O)C1(c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)CC1 ZINC001259125223 1039731423 /nfs/dbraw/zinc/73/14/23/1039731423.db2.gz PIXJGVBSKHYUDX-UHFFFAOYSA-N -1 1 356.403 2.564 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccccc3=O)cc2)c1 ZINC001259125249 1039732304 /nfs/dbraw/zinc/73/23/04/1039732304.db2.gz RCXBVFVKWDSORG-UHFFFAOYSA-N -1 1 351.387 2.510 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F ZINC001259126110 1039732937 /nfs/dbraw/zinc/73/29/37/1039732937.db2.gz LZRMTKZOFHTADB-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(Cn3ccnc3)c2)ccc1F ZINC001259417260 1039985443 /nfs/dbraw/zinc/98/54/43/1039985443.db2.gz MXROLCOQDRTICN-UHFFFAOYSA-N -1 1 356.382 2.743 20 30 FFEDMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259417502 1039988563 /nfs/dbraw/zinc/98/85/63/1039988563.db2.gz KWEUNAODKRTLHO-UHFFFAOYSA-N -1 1 350.371 2.523 20 30 FFEDMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259419221 1039990140 /nfs/dbraw/zinc/99/01/40/1039990140.db2.gz OYLRMOORBVURNT-UHFFFAOYSA-N -1 1 373.409 2.699 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3cccnc3)ccn2)cc1 ZINC001260037747 1040369093 /nfs/dbraw/zinc/36/90/93/1040369093.db2.gz CJQAYWDJIDALFZ-UHFFFAOYSA-N -1 1 350.403 2.957 20 30 FFEDMM N#Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261073174 1040976980 /nfs/dbraw/zinc/97/69/80/1040976980.db2.gz PQJZVRZOQPWXHY-UHFFFAOYSA-N -1 1 352.734 2.688 20 30 FFEDMM N#CCc1ccc(CS(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001214006086 1041156086 /nfs/dbraw/zinc/15/60/86/1041156086.db2.gz ABDBNMHCXZPVMB-UHFFFAOYSA-N -1 1 350.827 2.731 20 30 FFEDMM COc1ncc(Nc2c(Cl)cccc2C#N)cc1[N-]S(C)(=O)=O ZINC001216156567 1041965864 /nfs/dbraw/zinc/96/58/64/1041965864.db2.gz UPRSGBMIVVKRPN-UHFFFAOYSA-N -1 1 352.803 2.730 20 30 FFEDMM Cn1cc(CN2C[C@@H]3CCN(C(=O)c4cccc([S-])c4)[C@@H]3C2)cc1C#N ZINC001279198870 1042943343 /nfs/dbraw/zinc/94/33/43/1042943343.db2.gz NLCVNFPXDIPLMO-QFBILLFUSA-N -1 1 366.490 2.532 20 30 FFEDMM Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCc1c(F)cc([O-])cc1F ZINC001309893292 1043576974 /nfs/dbraw/zinc/57/69/74/1043576974.db2.gz XJBBXDCKLWDOMS-UHFFFAOYSA-N -1 1 370.352 2.511 20 30 FFEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)c2)n[nH]1 ZINC001318910099 1044935396 /nfs/dbraw/zinc/93/53/96/1044935396.db2.gz SJLBYARCIKNIBY-UHFFFAOYSA-N -1 1 353.407 2.647 20 30 FFEDMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001319338706 1045115139 /nfs/dbraw/zinc/11/51/39/1045115139.db2.gz NMIFLVQOSPHLPY-ZDUSSCGKSA-N -1 1 373.434 2.527 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1[O-] ZINC001320923890 1045495270 /nfs/dbraw/zinc/49/52/70/1045495270.db2.gz UGBVZBFLNQKBLH-LJQANCHMSA-N -1 1 361.401 2.852 20 30 FFEDMM C=CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)OCC ZINC001321798140 1045808466 /nfs/dbraw/zinc/80/84/66/1045808466.db2.gz VPFMKMWOPDJFNQ-VIFPVBQESA-N -1 1 370.229 2.919 20 30 FFEDMM Cn1c(C=NNc2nc3ccccc3[nH]2)c(Br)cc1C(=O)[O-] ZINC001321885182 1045856324 /nfs/dbraw/zinc/85/63/24/1045856324.db2.gz BEPYIOYZWYIXED-UHFFFAOYSA-N -1 1 362.187 2.808 20 30 FFEDMM CCCCN(C)c1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001324765083 1046213333 /nfs/dbraw/zinc/21/33/33/1046213333.db2.gz TZHLLGSAEDWZGU-UHFFFAOYSA-N -1 1 371.462 2.802 20 30 FFEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC001540674305 1070965727 /nfs/dbraw/zinc/96/57/27/1070965727.db2.gz NIPKYHAUUFNGLX-UHFFFAOYSA-N -1 1 353.382 2.619 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCCC2(CC2)C1 ZINC001340223679 1050631346 /nfs/dbraw/zinc/63/13/46/1050631346.db2.gz IMAIFTQJSXUFKV-UHFFFAOYSA-N -1 1 352.442 2.885 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001342039711 1050637857 /nfs/dbraw/zinc/63/78/57/1050637857.db2.gz LGBRBWSABJLIAC-CHWSQXEVSA-N -1 1 354.458 2.986 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001342223880 1050815001 /nfs/dbraw/zinc/81/50/01/1050815001.db2.gz AJCPARJVJKEYSY-CQSZACIVSA-N -1 1 366.425 2.562 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCO[C@H](CCC)C1 ZINC001342278600 1050870484 /nfs/dbraw/zinc/87/04/84/1050870484.db2.gz IAOXOQMQMHJTMI-GFCCVEGCSA-N -1 1 363.849 2.890 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC001340602179 1050986555 /nfs/dbraw/zinc/98/65/55/1050986555.db2.gz ZFOHISKGRDYZBK-RYUDHWBXSA-N -1 1 363.849 2.889 20 30 FFEDMM N#C[C@H]1CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC001303429543 1051352648 /nfs/dbraw/zinc/35/26/48/1051352648.db2.gz YLJQRPJJJLNVIS-SNVBAGLBSA-N -1 1 371.315 2.879 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1CC1CCCC1 ZINC001343472649 1052253421 /nfs/dbraw/zinc/25/34/21/1052253421.db2.gz JSBFEDVFSZLTGG-HNNXBMFYSA-N -1 1 356.478 2.507 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1CC1CCCC1 ZINC001343472649 1052253427 /nfs/dbraw/zinc/25/34/27/1052253427.db2.gz JSBFEDVFSZLTGG-HNNXBMFYSA-N -1 1 356.478 2.507 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001343567339 1052311263 /nfs/dbraw/zinc/31/12/63/1052311263.db2.gz PMKZVVDBCCWURH-INIZCTEOSA-N -1 1 364.457 2.608 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001343567339 1052311269 /nfs/dbraw/zinc/31/12/69/1052311269.db2.gz PMKZVVDBCCWURH-INIZCTEOSA-N -1 1 364.457 2.608 20 30 FFEDMM C#CCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001335591980 1053454621 /nfs/dbraw/zinc/45/46/21/1053454621.db2.gz YDNROMYXYYXQPI-UHFFFAOYSA-N -1 1 368.458 2.973 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCCc1ccc(C#N)cc1 ZINC000849722668 1056977037 /nfs/dbraw/zinc/97/70/37/1056977037.db2.gz ZZMIBPRIFSKJDD-UHFFFAOYSA-N -1 1 364.405 2.642 20 30 FFEDMM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)n1 ZINC001447566692 1058670757 /nfs/dbraw/zinc/67/07/57/1058670757.db2.gz ZGUIJCUEJTZTRG-UHFFFAOYSA-N -1 1 364.340 2.508 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@](F)(c2ccccc2)C1 ZINC001520432402 1059681279 /nfs/dbraw/zinc/68/12/79/1059681279.db2.gz DLDNYCYPTRMOLF-GOSISDBHSA-N -1 1 354.389 2.635 20 30 FFEDMM C=CCCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)OC ZINC001475687323 1061208475 /nfs/dbraw/zinc/20/84/75/1061208475.db2.gz DRHBLEMXOMBVRI-SNVBAGLBSA-N -1 1 367.254 2.565 20 30 FFEDMM C#Cc1cccc(NC(=O)CNC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001464334533 1062552449 /nfs/dbraw/zinc/55/24/49/1062552449.db2.gz NNRHFTXOSYPVQC-UHFFFAOYSA-N -1 1 360.369 2.601 20 30 FFEDMM Cc1cc(C=O)c([O-])c(C(=O)N(C)CCOCc2ccc(C#N)cc2)c1 ZINC001468607832 1064011441 /nfs/dbraw/zinc/01/14/41/1064011441.db2.gz LDDZRKMLHPHAOR-UHFFFAOYSA-N -1 1 352.390 2.674 20 30 FFEDMM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001472594810 1065107307 /nfs/dbraw/zinc/10/73/07/1065107307.db2.gz DCDMEZVGPGGXON-IBGZPJMESA-N -1 1 362.385 2.928 20 30 FFEDMM C#C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Br)cc1 ZINC001556781770 1075774994 /nfs/dbraw/zinc/77/49/94/1075774994.db2.gz NXSPPBHJROHXHU-OAHLLOKOSA-N -1 1 358.191 2.828 20 30 FFEDMM COc1ncccc1C[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001561111662 1076334133 /nfs/dbraw/zinc/33/41/33/1076334133.db2.gz FWSFHWPJVJJNAF-UHFFFAOYSA-N -1 1 359.432 2.655 20 30 FFEDMM COc1cnc(C(C)(C)NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[n-]c1=O ZINC001562633595 1076508589 /nfs/dbraw/zinc/50/85/89/1076508589.db2.gz LWQOAAMHPAAZLK-UHFFFAOYSA-N -1 1 372.429 2.676 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c([O-])c1 ZINC001567084521 1076999779 /nfs/dbraw/zinc/99/97/79/1076999779.db2.gz NVRHYLITWPQJRB-BJMVGYQFSA-N -1 1 357.337 2.929 20 30 FFEDMM C#Cc1ccc(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1 ZINC001569257865 1077135972 /nfs/dbraw/zinc/13/59/72/1077135972.db2.gz LRUFDJYUAMMUDF-UHFFFAOYSA-N -1 1 372.428 2.783 20 30 FFEDMM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC001587496570 1079800559 /nfs/dbraw/zinc/80/05/59/1079800559.db2.gz MKWRXNCJSQDNPT-LJQANCHMSA-N -1 1 372.428 2.963 20 30 FFEDMM C#CCC1(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC001588335067 1079988489 /nfs/dbraw/zinc/98/84/89/1079988489.db2.gz WLWICXSPDLNVLM-UHFFFAOYSA-N -1 1 359.380 2.735 20 30 FFEDMM C#CCC1(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)CCCCC1 ZINC001588335067 1079988494 /nfs/dbraw/zinc/98/84/94/1079988494.db2.gz WLWICXSPDLNVLM-UHFFFAOYSA-N -1 1 359.380 2.735 20 30 FFEDMM C#CCCOC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001588346987 1079990503 /nfs/dbraw/zinc/99/05/03/1079990503.db2.gz FEPWHHPBSWBVOD-UHFFFAOYSA-N -1 1 353.407 2.845 20 30 FFEDMM C#CCN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001588349541 1079991830 /nfs/dbraw/zinc/99/18/30/1079991830.db2.gz RSBABRBDZGUALP-UHFFFAOYSA-N -1 1 351.341 2.503 20 30 FFEDMM C#CCN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001588349541 1079991833 /nfs/dbraw/zinc/99/18/33/1079991833.db2.gz RSBABRBDZGUALP-UHFFFAOYSA-N -1 1 351.341 2.503 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@H](C)C[C@H]1C ZINC001588438213 1080028370 /nfs/dbraw/zinc/02/83/70/1080028370.db2.gz NMCYCZIWSXDSPS-VXGBXAGGSA-N -1 1 354.418 2.529 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@H](C)C[C@H]1C ZINC001588438213 1080028380 /nfs/dbraw/zinc/02/83/80/1080028380.db2.gz NMCYCZIWSXDSPS-VXGBXAGGSA-N -1 1 354.418 2.529 20 30 FFEDMM C#CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2OC)cc1 ZINC001588497413 1080060521 /nfs/dbraw/zinc/06/05/21/1080060521.db2.gz DVTPKXIUUOHROW-IBGZPJMESA-N -1 1 355.390 2.631 20 30 FFEDMM C=CCCCC(=O)N(C)CCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588582576 1080108476 /nfs/dbraw/zinc/10/84/76/1080108476.db2.gz MJCSICHNRYLPHU-UHFFFAOYSA-N -1 1 369.882 2.593 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001588621479 1080124966 /nfs/dbraw/zinc/12/49/66/1080124966.db2.gz DZILAQMRHVGMJX-AWEZNQCLSA-N -1 1 358.360 2.845 20 30 FFEDMM C=CCSc1ccccc1NC(=O)Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001588694507 1080159335 /nfs/dbraw/zinc/15/93/35/1080159335.db2.gz KPTYWJAEZDFFIP-UHFFFAOYSA-N -1 1 369.454 2.597 20 30 FFEDMM C=CCSc1ccccc1NC(=O)Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001588694507 1080159341 /nfs/dbraw/zinc/15/93/41/1080159341.db2.gz KPTYWJAEZDFFIP-UHFFFAOYSA-N -1 1 369.454 2.597 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc3oncc3c2)o1 ZINC001589664471 1080657536 /nfs/dbraw/zinc/65/75/36/1080657536.db2.gz FSIKTRRKQCYOIP-UHFFFAOYSA-N -1 1 352.358 2.640 20 30 FFEDMM CC1(C)C[C@H](NN=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)CCO1 ZINC001590084223 1080997750 /nfs/dbraw/zinc/99/77/50/1080997750.db2.gz ZAUUBIHBAZFMDZ-SNVBAGLBSA-N -1 1 352.801 2.540 20 30 FFEDMM CC1(C)C[C@H](NN=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)CCO1 ZINC001590084223 1080997753 /nfs/dbraw/zinc/99/77/53/1080997753.db2.gz ZAUUBIHBAZFMDZ-SNVBAGLBSA-N -1 1 352.801 2.540 20 30 FFEDMM CC(=O)c1ccc(C#N)c(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290735813 257355199 /nfs/dbraw/zinc/35/51/99/257355199.db2.gz QYSNXQYPHADULB-GFCCVEGCSA-N -1 1 353.344 2.656 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1Cl ZINC000044330252 506836094 /nfs/dbraw/zinc/83/60/94/506836094.db2.gz VJJNZPMTYDMXCC-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000044857814 506893631 /nfs/dbraw/zinc/89/36/31/506893631.db2.gz RSEQXOICMMNRKD-KRWDZBQOSA-N -1 1 358.419 2.917 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2cccc(OCC#N)c2)c(=O)[n-]1 ZINC000046064210 507071325 /nfs/dbraw/zinc/07/13/25/507071325.db2.gz PSHMLYCKOLHXDJ-UHFFFAOYSA-N -1 1 358.423 2.686 20 30 FFEDMM CN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000060617568 507567228 /nfs/dbraw/zinc/56/72/28/507567228.db2.gz WQGKSCZENRULSP-UHFFFAOYSA-N -1 1 361.398 2.612 20 30 FFEDMM O=C(COc1cccc(N2CCCC2=O)c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389396 507776563 /nfs/dbraw/zinc/77/65/63/507776563.db2.gz WBAUNWBRQDDZFK-UHFFFAOYSA-N -1 1 369.303 2.617 20 30 FFEDMM CC(C)n1c([C@@H]2CCCN(C(=O)c3cc(C#N)cn3C)C2)n[n-]c1=S ZINC000081756504 508208579 /nfs/dbraw/zinc/20/85/79/508208579.db2.gz YUUFJQNJYLHQDM-CYBMUJFWSA-N -1 1 358.471 2.752 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000102350915 508272902 /nfs/dbraw/zinc/27/29/02/508272902.db2.gz FZOMAUYUFCATKT-HNNXBMFYSA-N -1 1 357.435 2.828 20 30 FFEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000122307714 508515816 /nfs/dbraw/zinc/51/58/16/508515816.db2.gz YJQPZMBLTMKSEB-MRXNPFEDSA-N -1 1 372.450 2.550 20 30 FFEDMM CCC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000116488223 508520063 /nfs/dbraw/zinc/52/00/63/508520063.db2.gz PHXKTNVQZOQDHR-MRXNPFEDSA-N -1 1 357.435 2.909 20 30 FFEDMM C=CCOc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125303497 508962301 /nfs/dbraw/zinc/96/23/01/508962301.db2.gz BSCFSPWBDUMCMT-UHFFFAOYSA-N -1 1 364.373 2.880 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)C#N)c1 ZINC000125528617 508995188 /nfs/dbraw/zinc/99/51/88/508995188.db2.gz DUEJHXASZJSIDM-AWEZNQCLSA-N -1 1 357.435 2.746 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127011775 509158568 /nfs/dbraw/zinc/15/85/68/509158568.db2.gz QKPPTZBVJVKDIZ-SDBXPKJASA-N -1 1 362.377 2.736 20 30 FFEDMM Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000121300693 509164455 /nfs/dbraw/zinc/16/44/55/509164455.db2.gz YRPHCIWNDRJAJH-UHFFFAOYSA-N -1 1 373.825 2.808 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000189088410 509405017 /nfs/dbraw/zinc/40/50/17/509405017.db2.gz NTCDJPACFQPEHC-KRWDZBQOSA-N -1 1 354.472 2.964 20 30 FFEDMM C=C[C@](C)(CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000189088389 509405152 /nfs/dbraw/zinc/40/51/52/509405152.db2.gz NTCDJPACFQPEHC-QGZVFWFLSA-N -1 1 354.472 2.964 20 30 FFEDMM N#C[C@H](C(=O)Nc1nccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000179472051 509461601 /nfs/dbraw/zinc/46/16/01/509461601.db2.gz XSTZLYBSIDUBTN-VIFPVBQESA-N -1 1 371.447 2.566 20 30 FFEDMM CCC[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nn[n-]n1 ZINC000176751511 509671448 /nfs/dbraw/zinc/67/14/48/509671448.db2.gz IYGIOHWKZFBAJQ-AWEZNQCLSA-N -1 1 366.381 2.515 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000265384393 510024825 /nfs/dbraw/zinc/02/48/25/510024825.db2.gz RCXZLOVABZVSOR-ZUOKHONESA-N -1 1 365.437 2.684 20 30 FFEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1-n1ncc(C#N)c1N ZINC000187263753 510157125 /nfs/dbraw/zinc/15/71/25/510157125.db2.gz YGGFESGHISMDRV-UHFFFAOYSA-N -1 1 367.434 2.689 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)C#N)cc2)c1C ZINC000171847072 510406052 /nfs/dbraw/zinc/40/60/52/510406052.db2.gz WLVCMFVYMAVXDN-CYBMUJFWSA-N -1 1 371.462 2.994 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1[O-] ZINC000190983144 510450588 /nfs/dbraw/zinc/45/05/88/510450588.db2.gz GYXSXWBYYQSUOS-UHFFFAOYSA-N -1 1 364.405 2.690 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172590729 510809585 /nfs/dbraw/zinc/80/95/85/510809585.db2.gz KHFGGQJXIBICJS-UHFFFAOYSA-N -1 1 355.419 2.583 20 30 FFEDMM N#CCCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000276226753 510930384 /nfs/dbraw/zinc/93/03/84/510930384.db2.gz MVGUGANGSMCFFG-UHFFFAOYSA-N -1 1 355.616 2.824 20 30 FFEDMM C#CCn1ccc(CN(CC)C(=O)c2cc(Br)ccc2[O-])n1 ZINC000279207112 511022148 /nfs/dbraw/zinc/02/21/48/511022148.db2.gz WFSAHCFPIXZTEI-UHFFFAOYSA-N -1 1 362.227 2.647 20 30 FFEDMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000280007851 511301504 /nfs/dbraw/zinc/30/15/04/511301504.db2.gz SSJXADRRAVVQEA-UHFFFAOYSA-N -1 1 369.446 2.754 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c(Cl)c1 ZINC000321939523 511823085 /nfs/dbraw/zinc/82/30/85/511823085.db2.gz BXUQQSNFTXTCSX-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM C[C@H](C#N)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000359957380 512058162 /nfs/dbraw/zinc/05/81/62/512058162.db2.gz NMCUPLZQXYTOBV-RDTXWAMCSA-N -1 1 365.433 2.768 20 30 FFEDMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1CCCSC1 ZINC000329806597 512099802 /nfs/dbraw/zinc/09/98/02/512099802.db2.gz BDAGGGHMWLVVBS-GFCCVEGCSA-N -1 1 370.496 2.908 20 30 FFEDMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CCCSC1 ZINC000329806598 512099941 /nfs/dbraw/zinc/09/99/41/512099941.db2.gz BDAGGGHMWLVVBS-LBPRGKRZSA-N -1 1 370.496 2.908 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000371785016 512573228 /nfs/dbraw/zinc/57/32/28/512573228.db2.gz HOBDHBRUHUIWNB-SJLPKXTDSA-N -1 1 358.401 2.835 20 30 FFEDMM COC[C@@](C)([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000450996244 513445889 /nfs/dbraw/zinc/44/58/89/513445889.db2.gz GMTQXIAZFLYYKS-GFCCVEGCSA-N -1 1 370.780 2.652 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C#N)c3)cc2C[C@@H]1C ZINC000451114477 513533694 /nfs/dbraw/zinc/53/36/94/513533694.db2.gz MIAMEDYEVMBUOT-ZDUSSCGKSA-N -1 1 369.446 2.965 20 30 FFEDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc21 ZINC000435732863 513670659 /nfs/dbraw/zinc/67/06/59/513670659.db2.gz QWNAYJROKGDCIO-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)ccc1C#N ZINC000435739456 513673329 /nfs/dbraw/zinc/67/33/29/513673329.db2.gz XPIGLMMNQJYICB-KRWDZBQOSA-N -1 1 358.419 2.835 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1[O-] ZINC000442732076 513761473 /nfs/dbraw/zinc/76/14/73/513761473.db2.gz WZQGZNKUONIZOF-UHFFFAOYSA-N -1 1 358.401 2.868 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000431183503 513848159 /nfs/dbraw/zinc/84/81/59/513848159.db2.gz RCWAJEKEDOJCPT-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM CC(C)(C#N)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436718091 513954327 /nfs/dbraw/zinc/95/43/27/513954327.db2.gz WIZNMMNXGDHCPQ-KRWDZBQOSA-N -1 1 365.433 2.816 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)OCC ZINC000451995761 514119533 /nfs/dbraw/zinc/11/95/33/514119533.db2.gz OYXQQZUBDPYSJC-CYBMUJFWSA-N -1 1 355.387 2.748 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2nc(Cc3cccc(F)c3)n[nH]2)ccc1C#N ZINC000508124969 514678938 /nfs/dbraw/zinc/67/89/38/514678938.db2.gz LJOBHNNHJJWWFW-UHFFFAOYSA-N -1 1 371.397 2.516 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C(=O)N(C)C ZINC000475800394 514815177 /nfs/dbraw/zinc/81/51/77/514815177.db2.gz UMSZJLKXTBJILW-UHFFFAOYSA-N -1 1 357.435 2.564 20 30 FFEDMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc2[nH]1 ZINC000475827316 514825164 /nfs/dbraw/zinc/82/51/64/514825164.db2.gz FJPABTCXEIQGMH-UHFFFAOYSA-N -1 1 368.418 2.508 20 30 FFEDMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000484978579 514863028 /nfs/dbraw/zinc/86/30/28/514863028.db2.gz HRLLNCWSOPPJSX-UHFFFAOYSA-N -1 1 374.418 2.693 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1C(F)(F)F ZINC000463365116 515462280 /nfs/dbraw/zinc/46/22/80/515462280.db2.gz COTPMHUYUFUUFK-UHFFFAOYSA-N -1 1 371.344 2.763 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1ccc(C)c(C)c1 ZINC000468958249 515601006 /nfs/dbraw/zinc/60/10/06/515601006.db2.gz NZDXYTGDSSZADD-SFHVURJKSA-N -1 1 372.446 2.676 20 30 FFEDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000506721287 515963498 /nfs/dbraw/zinc/96/34/98/515963498.db2.gz ZBUSUGWKODXFKG-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM C=C[C@@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000465219940 516097594 /nfs/dbraw/zinc/09/75/94/516097594.db2.gz ARJJTLDCUZOOFA-CQSZACIVSA-N -1 1 359.451 2.861 20 30 FFEDMM C[C@H](CS(=O)(=O)[N-]c1cnn(-c2ncccc2C#N)c1)c1ccccc1 ZINC000460790842 516250931 /nfs/dbraw/zinc/25/09/31/516250931.db2.gz DFRWBRUDSDSZKE-CQSZACIVSA-N -1 1 367.434 2.684 20 30 FFEDMM C=CCN(CCC#N)C(=O)c1ccc(I)c([O-])c1 ZINC000561030113 516344009 /nfs/dbraw/zinc/34/40/09/516344009.db2.gz MXAWAIQUOKOLJR-UHFFFAOYSA-N -1 1 356.163 2.539 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3cc(Cl)ccc32)o1 ZINC000557831974 516459230 /nfs/dbraw/zinc/45/92/30/516459230.db2.gz JWGQMIVFEGTCON-ZDUSSCGKSA-N -1 1 352.799 2.997 20 30 FFEDMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2c1=O ZINC000551473220 516722277 /nfs/dbraw/zinc/72/22/77/516722277.db2.gz JPWDTCVFPFQCPT-UHFFFAOYSA-N -1 1 373.821 2.864 20 30 FFEDMM N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)c2)cc1 ZINC000537122204 517046473 /nfs/dbraw/zinc/04/64/73/517046473.db2.gz HEGZLGBQPQOGON-INIZCTEOSA-N -1 1 373.420 2.835 20 30 FFEDMM N#CCSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000525583674 517081409 /nfs/dbraw/zinc/08/14/09/517081409.db2.gz MNIKXVBFKYFXOV-UHFFFAOYSA-N -1 1 361.448 2.683 20 30 FFEDMM C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000537253057 517110971 /nfs/dbraw/zinc/11/09/71/517110971.db2.gz VUUICKSMFQFWRX-GFCCVEGCSA-N -1 1 355.460 2.933 20 30 FFEDMM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)o1 ZINC000532761812 517133149 /nfs/dbraw/zinc/13/31/49/517133149.db2.gz PRCCHHJTIRKGEP-CMPLNLGQSA-N -1 1 361.379 2.661 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000542860532 517785801 /nfs/dbraw/zinc/78/58/01/517785801.db2.gz YEDWTOGPUUAUFW-UHFFFAOYSA-N -1 1 374.418 2.775 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1[N+](=O)[O-] ZINC000542932061 517821992 /nfs/dbraw/zinc/82/19/92/517821992.db2.gz LEXYABRLFLEDRZ-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc2o1 ZINC000563503928 517943266 /nfs/dbraw/zinc/94/32/66/517943266.db2.gz WNQZCBOJUYPRPW-UHFFFAOYSA-N -1 1 371.418 2.998 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)OC)c2)c1 ZINC000566825935 518218792 /nfs/dbraw/zinc/21/87/92/518218792.db2.gz HAQYTUQKQIQBST-UHFFFAOYSA-N -1 1 361.419 2.768 20 30 FFEDMM Cc1cc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)cn2)nc(C)n1 ZINC000566895051 518251572 /nfs/dbraw/zinc/25/15/72/518251572.db2.gz JWEJAYOOUWATBV-GFCCVEGCSA-N -1 1 350.300 2.920 20 30 FFEDMM C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000564024245 518273017 /nfs/dbraw/zinc/27/30/17/518273017.db2.gz PSOIKPXILQSWNJ-LBPRGKRZSA-N -1 1 351.410 2.730 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)cc1Br ZINC000584571433 518402296 /nfs/dbraw/zinc/40/22/96/518402296.db2.gz UMPHARSSPQUENR-WOFXILAISA-N -1 1 359.220 2.537 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C#N)ccc1NC ZINC000572993915 518457048 /nfs/dbraw/zinc/45/70/48/518457048.db2.gz DOWFSCARRGDGAI-UHFFFAOYSA-N -1 1 358.423 2.614 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c1 ZINC000589165772 518937235 /nfs/dbraw/zinc/93/72/35/518937235.db2.gz DRJLTJFQIJGRIF-UHFFFAOYSA-N -1 1 374.400 2.901 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c1 ZINC000589168356 518939104 /nfs/dbraw/zinc/93/91/04/518939104.db2.gz RXJBMWRSIADGKR-UHFFFAOYSA-N -1 1 363.295 2.808 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCOc2ccc(Br)cc2)c1 ZINC000589172382 518941146 /nfs/dbraw/zinc/94/11/46/518941146.db2.gz JBKBCARESNLSMB-UHFFFAOYSA-N -1 1 361.195 2.835 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000589189665 518946317 /nfs/dbraw/zinc/94/63/17/518946317.db2.gz CMCQAXHXSSNZAN-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589196040 518947186 /nfs/dbraw/zinc/94/71/86/518947186.db2.gz TZZKRHGQXAKROX-QGZVFWFLSA-N -1 1 352.390 2.558 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000574108015 518990366 /nfs/dbraw/zinc/99/03/66/518990366.db2.gz LAJFGUYYBCNCCV-UHFFFAOYSA-N -1 1 367.814 2.502 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000577568089 519141622 /nfs/dbraw/zinc/14/16/22/519141622.db2.gz HCZNBJNHTRIEEN-UHFFFAOYSA-N -1 1 350.709 2.754 20 30 FFEDMM C=CCOCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000591130741 519523794 /nfs/dbraw/zinc/52/37/94/519523794.db2.gz WVRZATABTYQSTF-UHFFFAOYSA-N -1 1 364.398 2.768 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)cc1Br ZINC000592107858 520189084 /nfs/dbraw/zinc/18/90/84/520189084.db2.gz IOYRIEDVEOUGNV-ATZCPNFKSA-N -1 1 373.247 2.927 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N(C)c2ccc(C#N)cc2F)c(=O)[n-]1 ZINC000609217530 520234339 /nfs/dbraw/zinc/23/43/39/520234339.db2.gz IVVLRYDWHNWTTE-UHFFFAOYSA-N -1 1 360.414 2.819 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000597849290 520279622 /nfs/dbraw/zinc/27/96/22/520279622.db2.gz LFZUDVZTEPYYEG-IBGZPJMESA-N -1 1 366.417 2.524 20 30 FFEDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1F ZINC000600667777 520384843 /nfs/dbraw/zinc/38/48/43/520384843.db2.gz HUAGYWKPWHNWBV-MGPLVRAMSA-N -1 1 372.393 2.502 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(CC#N)C3)c2)cc1 ZINC000598036779 520387704 /nfs/dbraw/zinc/38/77/04/520387704.db2.gz NWWXWZFWFAEGSB-UHFFFAOYSA-N -1 1 369.446 2.782 20 30 FFEDMM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000613443368 520504467 /nfs/dbraw/zinc/50/44/67/520504467.db2.gz BKVBZVWFGNPUHX-KRWDZBQOSA-N -1 1 357.360 2.693 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3F)C2)o1 ZINC000599489708 521255317 /nfs/dbraw/zinc/25/53/17/521255317.db2.gz FXOQTHAMDPDXCP-NSHDSACASA-N -1 1 369.805 2.501 20 30 FFEDMM Cc1c(NC(=O)c2cc([O-])cc(C#N)c2)nnn1Cc1ccccc1F ZINC000619817905 521889819 /nfs/dbraw/zinc/88/98/19/521889819.db2.gz RBMIIZRYYSCZOG-UHFFFAOYSA-N -1 1 351.341 2.604 20 30 FFEDMM C=CC(C)(C)CCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000626408285 522169235 /nfs/dbraw/zinc/16/92/35/522169235.db2.gz QHXJECBXQKFEPO-UHFFFAOYSA-N -1 1 355.460 2.791 20 30 FFEDMM N#Cc1nccnc1NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737730890 598854662 /nfs/dbraw/zinc/85/46/62/598854662.db2.gz NQKYPELQKJWNFZ-UHFFFAOYSA-N -1 1 360.406 2.869 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2occc2Br)o1 ZINC000735939188 599220189 /nfs/dbraw/zinc/22/01/89/599220189.db2.gz KRWSWJJWIYWCFK-UHFFFAOYSA-N -1 1 366.179 2.780 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736200006 600300604 /nfs/dbraw/zinc/30/06/04/600300604.db2.gz LZOZWIAQIWXFQL-WBVHZDCISA-N -1 1 355.438 2.508 20 30 FFEDMM COc1ccc(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1F ZINC000832384252 601551671 /nfs/dbraw/zinc/55/16/71/601551671.db2.gz WETIVTSXLDSDAS-IBGZPJMESA-N -1 1 369.396 2.654 20 30 FFEDMM N#CC(C(=O)c1csc(CNC(=O)[O-])n1)c1ccc2ccccc2n1 ZINC000740304691 602728208 /nfs/dbraw/zinc/72/82/08/602728208.db2.gz WXLDGMVHOZFEHW-NSHDSACASA-N -1 1 352.375 2.949 20 30 FFEDMM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(-n2cnnn2)cc1 ZINC000833386678 605158730 /nfs/dbraw/zinc/15/87/30/605158730.db2.gz RVAYWDKPNFFSQN-UHFFFAOYSA-N -1 1 356.773 2.850 20 30 FFEDMM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1ccc(C#N)cc1Br ZINC000833834547 605425444 /nfs/dbraw/zinc/42/54/44/605425444.db2.gz OPQVVFKMPUTFRP-CMPLNLGQSA-N -1 1 352.232 2.799 20 30 FFEDMM O=C([O-])N1CC[C@]2(C1)CC(N=Nc1ccc(F)cn1)c1ccccc1O2 ZINC000834088948 605626750 /nfs/dbraw/zinc/62/67/50/605626750.db2.gz ZZLLHOXWQUYZOD-GOSISDBHSA-N -1 1 356.357 2.942 20 30 FFEDMM CN(CC(=O)N(CCC#N)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833870478 605876596 /nfs/dbraw/zinc/87/65/96/605876596.db2.gz OUIXCJVABRJQST-JWTNVVGKSA-N -1 1 370.453 2.538 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833788299 605891755 /nfs/dbraw/zinc/89/17/55/605891755.db2.gz UHFUJELHPHQHSM-QLFBSQMISA-N -1 1 365.499 2.629 20 30 FFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832818 605900045 /nfs/dbraw/zinc/90/00/45/605900045.db2.gz URNHEURDSRHNSI-WOPDTQHZSA-N -1 1 364.833 2.517 20 30 FFEDMM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823551517 606369959 /nfs/dbraw/zinc/36/99/59/606369959.db2.gz UDWYOCRTXBSWOK-UHFFFAOYSA-N -1 1 374.385 2.712 20 30 FFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(C#N)c2n1CCC2 ZINC000822015341 606390720 /nfs/dbraw/zinc/39/07/20/606390720.db2.gz JANQKNSTVHGAIP-GQCTYLIASA-N -1 1 350.407 2.752 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822801450 606445345 /nfs/dbraw/zinc/44/53/45/606445345.db2.gz JNBZEXLNWNWHAZ-ZIAGYGMSSA-N -1 1 364.434 2.840 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822801450 606445347 /nfs/dbraw/zinc/44/53/47/606445347.db2.gz JNBZEXLNWNWHAZ-ZIAGYGMSSA-N -1 1 364.434 2.840 20 30 FFEDMM CS(=O)(=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496102 727942111 /nfs/dbraw/zinc/94/21/11/727942111.db2.gz JHQMTYBOHAWUHB-CQSZACIVSA-N -1 1 353.403 2.598 20 30 FFEDMM C#CCCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000176666772 729116582 /nfs/dbraw/zinc/11/65/82/729116582.db2.gz GYINQUWZSNYSOF-UHFFFAOYSA-N -1 1 351.378 2.986 20 30 FFEDMM CCO[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000253610539 729626365 /nfs/dbraw/zinc/62/63/65/729626365.db2.gz IJTPERTVXYQPEI-GRYCIOLGSA-N -1 1 357.435 2.877 20 30 FFEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@@H](O)CC(C)(C)C#N)c1 ZINC000857242841 730387029 /nfs/dbraw/zinc/38/70/29/730387029.db2.gz OROHUIDZTIIEDX-AWEZNQCLSA-N -1 1 357.376 2.886 20 30 FFEDMM C=CCCn1cc(CN[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])nn1 ZINC000656574767 731599692 /nfs/dbraw/zinc/59/96/92/731599692.db2.gz YJTRDBYJPLVRHV-HNNXBMFYSA-N -1 1 369.252 2.947 20 30 FFEDMM Cc1cc(Br)cc2c1NC(=O)C2=N[N-]c1ncncc1Cl ZINC000780279957 738530486 /nfs/dbraw/zinc/53/04/86/738530486.db2.gz KHFKOUYMJWRHBQ-UHFFFAOYSA-N -1 1 366.606 2.969 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2ncccc2C(F)(F)F)CCOCC1 ZINC000657129688 731733661 /nfs/dbraw/zinc/73/36/61/731733661.db2.gz YQRUFKKOIYPXAB-UHFFFAOYSA-N -1 1 350.362 2.504 20 30 FFEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCc2cc(C#N)ccc21 ZINC000872497998 731781265 /nfs/dbraw/zinc/78/12/65/731781265.db2.gz PRNJTHJDOUYHLW-NPMXOYFQSA-N -1 1 369.512 2.666 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccccc1 ZINC000882304701 733206269 /nfs/dbraw/zinc/20/62/69/733206269.db2.gz LFCBEUOOGDUGMO-KSFYIVLOSA-N -1 1 354.497 2.626 20 30 FFEDMM O=C([O-])COc1ccc(C=NNc2ncccc2Cl)cc1[N+](=O)[O-] ZINC000731558022 734684889 /nfs/dbraw/zinc/68/48/89/734684889.db2.gz HTEMNSZDOIRNKU-UHFFFAOYSA-N -1 1 350.718 2.553 20 30 FFEDMM COc1cc(C)c(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1C ZINC000783825214 738839922 /nfs/dbraw/zinc/83/99/22/738839922.db2.gz WGZPZDHQXOPVNK-UHFFFAOYSA-N -1 1 357.435 2.775 20 30 FFEDMM C=CC[C@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccncc1 ZINC000734502319 734900295 /nfs/dbraw/zinc/90/02/95/734900295.db2.gz QBVURHGDCGPNCO-HNNXBMFYSA-N -1 1 354.378 2.964 20 30 FFEDMM O=C1[N-][C@](c2ccccc2)(C(F)(F)F)C(=O)N1CC(F)(F)C(F)F ZINC000736437380 734985662 /nfs/dbraw/zinc/98/56/62/734985662.db2.gz HQNPXNUSBDQLSZ-LBPRGKRZSA-N -1 1 358.213 2.896 20 30 FFEDMM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C(C)C)N2CCCCC2)n1 ZINC000741012385 735107899 /nfs/dbraw/zinc/10/78/99/735107899.db2.gz MTJFWQSYRCNRSC-ZBFHGGJFSA-N -1 1 363.483 2.682 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccccc1OC(F)F ZINC000748247983 735630168 /nfs/dbraw/zinc/63/01/68/735630168.db2.gz AHORJPQRHDKEAS-UHFFFAOYSA-N -1 1 371.321 2.509 20 30 FFEDMM CC(N=Nc1nc2[nH][n-]cc-2c(=O)n1)[C@@H](C)c1nc2ccccc2s1 ZINC000748788039 735671680 /nfs/dbraw/zinc/67/16/80/735671680.db2.gz KYVGUNFTWTXMHQ-MRVPVSSYSA-N -1 1 353.411 2.633 20 30 FFEDMM COc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OCC(F)(F)F ZINC000750910083 735824951 /nfs/dbraw/zinc/82/49/51/735824951.db2.gz JCDJOIBNLIGEBB-UHFFFAOYSA-N -1 1 356.304 2.886 20 30 FFEDMM C#C[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000754358445 736150771 /nfs/dbraw/zinc/15/07/71/736150771.db2.gz ZQPUVBRPDZERKY-MRXNPFEDSA-N -1 1 356.447 2.937 20 30 FFEDMM CCOc1cc(C(=O)NCCNc2ncccc2C#N)cc(Cl)c1[O-] ZINC000762585345 736840713 /nfs/dbraw/zinc/84/07/13/736840713.db2.gz XVPWQKOVCYQAPD-UHFFFAOYSA-N -1 1 360.801 2.553 20 30 FFEDMM N#Cc1ccc(OCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765766476 737156534 /nfs/dbraw/zinc/15/65/34/737156534.db2.gz XNFVFDAXLLCNTN-UHFFFAOYSA-N -1 1 361.195 2.722 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000767743711 737363257 /nfs/dbraw/zinc/36/32/57/737363257.db2.gz LDOFISYVIFSWNS-UHFFFAOYSA-N -1 1 352.148 2.607 20 30 FFEDMM [O-]c1c(O)cc(C=NNC(=S)Nc2ccccn2)cc1Br ZINC000767805274 737370064 /nfs/dbraw/zinc/37/00/64/737370064.db2.gz AISZDKCWPSYLMG-UHFFFAOYSA-N -1 1 367.228 2.576 20 30 FFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1OC ZINC000917745510 737774638 /nfs/dbraw/zinc/77/46/38/737774638.db2.gz SPVFOQQWDIGJFG-UHFFFAOYSA-N -1 1 362.407 2.715 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000776260169 738174956 /nfs/dbraw/zinc/17/49/56/738174956.db2.gz ZNAMYQAKVWDGPO-UHFFFAOYSA-N -1 1 355.322 2.576 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(F)(F)F)cc1 ZINC000777745444 738317589 /nfs/dbraw/zinc/31/75/89/738317589.db2.gz XIZYLHZMOSVNKE-AWEZNQCLSA-N -1 1 356.325 2.955 20 30 FFEDMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(C#N)c2)cc1C(=O)[O-] ZINC000790381831 739445582 /nfs/dbraw/zinc/44/55/82/739445582.db2.gz CPLSUMUPZOMDGM-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM C#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000790966574 739519497 /nfs/dbraw/zinc/51/94/97/739519497.db2.gz ILIKDARHSYYDPV-UHFFFAOYSA-N -1 1 362.838 2.846 20 30 FFEDMM CN(C)S(=O)(=O)c1ccccc1NN=Cc1c([O-])ccc(Cl)c1F ZINC000793182953 739749290 /nfs/dbraw/zinc/74/92/90/739749290.db2.gz QLWSHHUOAKCHAN-UHFFFAOYSA-N -1 1 371.821 2.881 20 30 FFEDMM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000794594802 739908849 /nfs/dbraw/zinc/90/88/49/739908849.db2.gz BLIDQHVPFICFHL-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000794597206 739908892 /nfs/dbraw/zinc/90/88/92/739908892.db2.gz UJOALHIITVSXQA-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1F ZINC000794595775 739908902 /nfs/dbraw/zinc/90/89/02/739908902.db2.gz JSTQCSBHPMRKEO-UHFFFAOYSA-N -1 1 363.370 2.871 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1 ZINC000794692876 739920071 /nfs/dbraw/zinc/92/00/71/739920071.db2.gz YGSBMQRGBNREBD-DRDHIDPGSA-N -1 1 365.179 2.686 20 30 FFEDMM N#CC1(C(=O)NCc2cccc(Br)c2[O-])CCSCC1 ZINC000935663242 739991023 /nfs/dbraw/zinc/99/10/23/739991023.db2.gz QCIGHRAGARZPFH-UHFFFAOYSA-N -1 1 355.257 2.808 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=CC(Cc1ccccc1)Cc1ccccc1 ZINC000799113272 740388455 /nfs/dbraw/zinc/38/84/55/740388455.db2.gz CMKFKBXRGHSNSR-UHFFFAOYSA-N -1 1 350.447 2.863 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@@H](c3cccnc3)C2)c2ccccc21 ZINC000799875085 740459390 /nfs/dbraw/zinc/45/93/90/740459390.db2.gz LTNTZNQVVQRJBF-CYBMUJFWSA-N -1 1 354.435 2.834 20 30 FFEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000809249531 741295476 /nfs/dbraw/zinc/29/54/76/741295476.db2.gz YIKINXIFZNQKHO-WFGGJUAMSA-N -1 1 364.408 2.519 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000809808619 741345789 /nfs/dbraw/zinc/34/57/89/741345789.db2.gz AYUVXUHIXJCRIG-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM CC(C)(C#N)[C@@H]1CCCC1=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000814864336 741870847 /nfs/dbraw/zinc/87/08/47/741870847.db2.gz AODOSJFURHUIRO-LLVKDONJSA-N -1 1 350.400 2.579 20 30 FFEDMM COC(=O)C1(C#N)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000831691571 745569320 /nfs/dbraw/zinc/56/93/20/745569320.db2.gz RHWHANFQVRDKIB-UHFFFAOYSA-N -1 1 350.802 2.527 20 30 FFEDMM CC(C)CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000842528849 747625980 /nfs/dbraw/zinc/62/59/80/747625980.db2.gz VTCCOHOJSRUEJC-UHFFFAOYSA-N -1 1 362.411 2.719 20 30 FFEDMM C=CCCCCC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000848475455 748936457 /nfs/dbraw/zinc/93/64/57/748936457.db2.gz OXYOIPXFMKOCBN-UHFFFAOYSA-N -1 1 350.282 2.516 20 30 FFEDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H](O)c1ccc(Cl)cc1 ZINC000851862780 749708327 /nfs/dbraw/zinc/70/83/27/749708327.db2.gz GHEKOCDXOAXKOC-CVEARBPZSA-N -1 1 368.842 2.841 20 30 FFEDMM C[C@@H](CCCCNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F ZINC000854580436 750333551 /nfs/dbraw/zinc/33/35/51/750333551.db2.gz MRNLMYSURWNLNJ-LURJTMIESA-N -1 1 372.256 2.578 20 30 FFEDMM CCCCCCCCC(=O)N1C[C@@H](C)[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001104941602 971194569 /nfs/dbraw/zinc/19/45/69/971194569.db2.gz UYKSSOPVFNZNQE-HZPDHXFCSA-N -1 1 365.522 2.835 20 30 FFEDMM C=CCC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823894196 946503519 /nfs/dbraw/zinc/50/35/19/946503519.db2.gz JTZYLIXDTODOSW-CQSZACIVSA-N -1 1 352.398 2.529 20 30 FFEDMM C=CCC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823894196 946503531 /nfs/dbraw/zinc/50/35/31/946503531.db2.gz JTZYLIXDTODOSW-CQSZACIVSA-N -1 1 352.398 2.529 20 30 FFEDMM CC(Cc1ccn(C(C)C)n1)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000824458191 946716090 /nfs/dbraw/zinc/71/60/90/946716090.db2.gz TURRBTFTAOANLV-UHFFFAOYSA-N -1 1 357.422 2.786 20 30 FFEDMM C=CCCCCCCCNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001573334748 947462407 /nfs/dbraw/zinc/46/24/07/947462407.db2.gz HVVDLDJJSOMTBV-UHFFFAOYSA-N -1 1 359.434 2.918 20 30 FFEDMM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cs2)n1C ZINC000137225056 964127351 /nfs/dbraw/zinc/12/73/51/964127351.db2.gz OJGOBTWKYDILNN-GFCCVEGCSA-N -1 1 365.418 2.813 20 30 FFEDMM N#CC(=C([O-])c1ccc(F)c(F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393169 975093875 /nfs/dbraw/zinc/09/38/75/975093875.db2.gz AWBIJYYVBXADQK-GFCCVEGCSA-N -1 1 366.331 2.966 20 30 FFEDMM C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000909269537 981662199 /nfs/dbraw/zinc/66/21/99/981662199.db2.gz QRECJHPILHTRFF-AWEZNQCLSA-N -1 1 370.457 2.652 20 30 FFEDMM C=C(C)C[C@@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000910285455 981887486 /nfs/dbraw/zinc/88/74/86/981887486.db2.gz AFWFFMGEEFGASY-VQIMIIECSA-N -1 1 358.482 2.865 20 30 FFEDMM N#C[C@H](C(=O)[C@@H]1C[C@@]12CCOC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000764758187 984695908 /nfs/dbraw/zinc/69/59/08/984695908.db2.gz LSHZQGIAUUMYKZ-UYSIFFEZSA-N -1 1 369.446 2.879 20 30 FFEDMM C#CCCCNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000174605271 986262307 /nfs/dbraw/zinc/26/23/07/986262307.db2.gz IGMDNTMFBYZISR-UHFFFAOYSA-N -1 1 371.462 2.700 20 30 FFEDMM CCCOc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000914600032 987813585 /nfs/dbraw/zinc/81/35/85/987813585.db2.gz LYNFDPQYWRGLLT-UHFFFAOYSA-N -1 1 373.434 2.557 20 30 FFEDMM CN1c2ccccc2C(=N[N-]c2c(F)cc(C(=O)NC3CC3)cc2F)C1=O ZINC000763186358 989193052 /nfs/dbraw/zinc/19/30/52/989193052.db2.gz MWLILLMOLRLZKT-UHFFFAOYSA-N -1 1 370.359 2.650 20 30 FFEDMM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCC#N)ccc2C)cc1 ZINC000785474389 989984703 /nfs/dbraw/zinc/98/47/03/989984703.db2.gz SCHFMBQLCOZZEM-UHFFFAOYSA-N -1 1 374.418 2.875 20 30 FFEDMM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000916966165 990080073 /nfs/dbraw/zinc/08/00/73/990080073.db2.gz KVKWLHRVZPWKPQ-GFCCVEGCSA-N -1 1 370.386 2.683 20 30 FFEDMM CN1CCN(c2ccc(C=[NH+][N-]c3ccc(F)c(C(=O)[O-])c3)cc2)CC1 ZINC001598622321 994021598 /nfs/dbraw/zinc/02/15/98/994021598.db2.gz CCKHMNAMZDWJRQ-UHFFFAOYSA-N -1 1 356.401 2.722 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000809770069 994597704 /nfs/dbraw/zinc/59/77/04/994597704.db2.gz XYACXQXEOHNQCA-UHFFFAOYSA-N -1 1 354.381 2.613 20 30 FFEDMM C=CCOCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000679495314 1016079810 /nfs/dbraw/zinc/07/98/10/1016079810.db2.gz KUXYBBJLJNPRLH-UHFFFAOYSA-N -1 1 374.462 2.728 20 30 FFEDMM C#CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000844049614 997627994 /nfs/dbraw/zinc/62/79/94/997627994.db2.gz OZEFIZNFUKLBDL-UHFFFAOYSA-N -1 1 368.458 2.973 20 30 FFEDMM COc1cc(/C=C/C(=O)Nc2ccc(C#N)cc2[O-])cc(OC)c1OC ZINC001143768946 997647072 /nfs/dbraw/zinc/64/70/72/997647072.db2.gz BDFKIHXXXAMWLR-FNORWQNLSA-N -1 1 354.362 2.942 20 30 FFEDMM COc1ccc([C@H]2CCCCC2N=Nc2nc3[nH][n-]cc-3c(=O)n2)cc1F ZINC000732712245 998743790 /nfs/dbraw/zinc/74/37/90/998743790.db2.gz XILWHVZXBQWTGL-LLVKDONJSA-N -1 1 370.388 2.705 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC000746491269 1000144594 /nfs/dbraw/zinc/14/45/94/1000144594.db2.gz FPMRNENTVOHERF-UHFFFAOYSA-N -1 1 373.434 2.927 20 30 FFEDMM N#Cc1ccc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)nc1 ZINC000847001243 1000510022 /nfs/dbraw/zinc/51/00/22/1000510022.db2.gz IGTQBNYFILVHFU-HNNXBMFYSA-N -1 1 360.339 2.563 20 30 FFEDMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]2C(=O)Nc1ccc(C#N)cc1[O-] ZINC001146308512 1000654434 /nfs/dbraw/zinc/65/44/34/1000654434.db2.gz YTDFLMMOUUCMLX-KCQAQPDRSA-N -1 1 357.410 2.990 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC#Cc1ccc(F)cc1 ZINC000771338112 1001082830 /nfs/dbraw/zinc/08/28/30/1001082830.db2.gz RKHXLHJINISUGF-UHFFFAOYSA-N -1 1 367.380 2.718 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC(C)(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000785636218 1001465158 /nfs/dbraw/zinc/46/51/58/1001465158.db2.gz WRLNUONUTNXLJG-UHFFFAOYSA-N -1 1 359.426 2.783 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N(C)C(C)=O)cc2)n1 ZINC000786356226 1001579795 /nfs/dbraw/zinc/57/97/95/1001579795.db2.gz BBTSEVNMQZTTMM-CQSZACIVSA-N -1 1 371.418 2.793 20 30 FFEDMM N#Cc1cccc(Cl)c1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186183932 1003209541 /nfs/dbraw/zinc/20/95/41/1003209541.db2.gz ONDBNOJHRGEBDI-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnc(OCC2CC2)cn1 ZINC000793124971 1003278542 /nfs/dbraw/zinc/27/85/42/1003278542.db2.gz NQWXANRZIPASLN-GFCCVEGCSA-N -1 1 370.796 2.880 20 30 FFEDMM CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000804679775 1003780347 /nfs/dbraw/zinc/78/03/47/1003780347.db2.gz RMNLWYGXECRXAD-MRXNPFEDSA-N -1 1 359.426 2.737 20 30 FFEDMM C#Cc1cnc(NC(=O)c2ccccc2C(=O)c2ccc([O-])cc2)c(C#C)n1 ZINC001191488479 1003843423 /nfs/dbraw/zinc/84/34/23/1003843423.db2.gz NYQCSBCNTPACLT-UHFFFAOYSA-N -1 1 367.364 2.628 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(OC)c(C#N)c2)c1 ZINC001197107659 1004086886 /nfs/dbraw/zinc/08/68/86/1004086886.db2.gz VJIMCYSHYPADAW-RMKNXTFCSA-N -1 1 372.402 2.554 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)cc1 ZINC001192265765 1004109826 /nfs/dbraw/zinc/10/98/26/1004109826.db2.gz HLIRJZKWHQSJNV-UHFFFAOYSA-N -1 1 369.402 2.858 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(C)(C)C#N)c2)ccc1O ZINC001197240798 1004136557 /nfs/dbraw/zinc/13/65/57/1004136557.db2.gz JLJMDJCLPLLBJM-UHFFFAOYSA-N -1 1 374.418 2.781 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(=O)N(C)Cc2ccccc2)c1 ZINC001193147004 1004389520 /nfs/dbraw/zinc/38/95/20/1004389520.db2.gz VRMKIECCJNLKKP-AWEZNQCLSA-N -1 1 357.435 2.613 20 30 FFEDMM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001198553467 1004669826 /nfs/dbraw/zinc/66/98/26/1004669826.db2.gz FAMJOEQRNAATIB-LLVKDONJSA-N -1 1 366.668 2.858 20 30 FFEDMM O=S(=O)([N-]CCCS)c1cc(Br)c(Cl)cc1F ZINC001195443177 1004960957 /nfs/dbraw/zinc/96/09/57/1004960957.db2.gz HUAZCHVZRZFHOG-UHFFFAOYSA-N -1 1 362.673 2.840 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2n[nH]c3ncc(Br)cc23)c([O-])c1 ZINC001195733267 1005024136 /nfs/dbraw/zinc/02/41/36/1005024136.db2.gz HIOHLIHIINDYMG-UHFFFAOYSA-N -1 1 358.155 2.550 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)cc1C#N ZINC001201317385 1005198781 /nfs/dbraw/zinc/19/87/81/1005198781.db2.gz RKCKYSWLIUEALP-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)c3ccc(C#N)c([O-])c3)C2)C1 ZINC000881934309 1006261761 /nfs/dbraw/zinc/26/17/61/1006261761.db2.gz ROOBIZGDGAIWQL-UHFFFAOYSA-N -1 1 371.437 2.737 20 30 FFEDMM Cc1c2ccccc2n(C)c1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000814863467 1006452244 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20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@](F)(c2ccccc2)C1 ZINC001520432403 1059682056 /nfs/dbraw/zinc/68/20/56/1059682056.db2.gz DLDNYCYPTRMOLF-SFHVURJKSA-N -1 1 354.389 2.635 20 30 FFEDMM CSc1ncc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c(=O)[n-]1 ZINC001455089591 1059690339 /nfs/dbraw/zinc/69/03/39/1059690339.db2.gz FVGGYAUYTFTRDB-NSHDSACASA-N -1 1 368.340 2.809 20 30 FFEDMM C=C(C)C[C@H](NC(C)=O)C(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000849960706 1060928072 /nfs/dbraw/zinc/92/80/72/1060928072.db2.gz ZAWPNFIWDTXEDV-INIZCTEOSA-N -1 1 373.405 2.575 20 30 FFEDMM C=CCc1ccc(OCC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c(OC)c1 ZINC001460816827 1061112890 /nfs/dbraw/zinc/11/28/90/1061112890.db2.gz PPCDYOOSWZMUMU-UHFFFAOYSA-N -1 1 369.421 2.816 20 30 FFEDMM C#CCC1([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCC1 ZINC001475710795 1061224086 /nfs/dbraw/zinc/22/40/86/1061224086.db2.gz IISHBTLPDBMCTQ-UHFFFAOYSA-N -1 1 364.211 2.952 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)cn2)o1 ZINC001475778669 1061268808 /nfs/dbraw/zinc/26/88/08/1061268808.db2.gz ZDDJVAOAEKGCJD-UHFFFAOYSA-N -1 1 355.375 2.817 20 30 FFEDMM N#Cc1ccc(N2CCN(C(=O)NCc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC001479212177 1062287787 /nfs/dbraw/zinc/28/77/87/1062287787.db2.gz BHJHNEYFJOZQGW-UHFFFAOYSA-N -1 1 370.840 2.949 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)[C@@H]1CC[C@H]1OC ZINC001524309324 1062797719 /nfs/dbraw/zinc/79/77/19/1062797719.db2.gz WDNMNDQJUFALTG-HUUCEWRRSA-N -1 1 370.457 2.508 20 30 FFEDMM C=CCONC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC001556633461 1075760272 /nfs/dbraw/zinc/76/02/72/1075760272.db2.gz GMVIJRQJEWJLRR-UHFFFAOYSA-N -1 1 364.398 2.782 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(=O)OCC ZINC001561828396 1076429683 /nfs/dbraw/zinc/42/96/83/1076429683.db2.gz NOBPVSWSLGDFMF-CYBMUJFWSA-N -1 1 366.266 2.834 20 30 FFEDMM COc1cccc([C@@H](C#N)NC(=O)c2ncc3ccccc3c2[O-])c1OC ZINC001565643898 1076749548 /nfs/dbraw/zinc/74/95/48/1076749548.db2.gz ZWHHRAYNVJOTLS-OAHLLOKOSA-N -1 1 363.373 2.952 20 30 FFEDMM CC(C)c1c(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cnn1-c1ccccc1 ZINC001574403034 1077980402 /nfs/dbraw/zinc/98/04/02/1077980402.db2.gz OTAWALLVQRGFKB-UHFFFAOYSA-N -1 1 372.396 2.581 20 30 FFEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC001586270830 1079586934 /nfs/dbraw/zinc/58/69/34/1079586934.db2.gz MMCAQXZOJZVPHN-AWEZNQCLSA-N -1 1 367.434 2.629 20 30 FFEDMM C=C(C)C(C)(C)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001588402481 1080010364 /nfs/dbraw/zinc/01/03/64/1080010364.db2.gz HEWGSCKZLNLSCB-UHFFFAOYSA-N -1 1 351.208 2.565 20 30 FFEDMM C=C(C)C(C)(C)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001588402481 1080010373 /nfs/dbraw/zinc/01/03/73/1080010373.db2.gz HEWGSCKZLNLSCB-UHFFFAOYSA-N -1 1 351.208 2.565 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC(C)(C)CC1 ZINC001588438515 1080029111 /nfs/dbraw/zinc/02/91/11/1080029111.db2.gz SNYHQQAREZJSLA-UHFFFAOYSA-N -1 1 368.445 2.921 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC(C)(C)CC1 ZINC001588438515 1080029119 /nfs/dbraw/zinc/02/91/19/1080029119.db2.gz SNYHQQAREZJSLA-UHFFFAOYSA-N -1 1 368.445 2.921 20 30 FFEDMM C=CCCc1ccccc1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001588620808 1080124787 /nfs/dbraw/zinc/12/47/87/1080124787.db2.gz IBDDVNJJWHQOTO-UHFFFAOYSA-N -1 1 350.382 2.647 20 30 FFEDMM C[C@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)N(CCC#N)c1ccccc1 ZINC001589131984 1080379690 /nfs/dbraw/zinc/37/96/90/1080379690.db2.gz GLZNDUDEEACGSS-LPHOPBHVSA-N -1 1 365.433 2.607 20 30 FFEDMM CC(C)(NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cccc(C#N)c1 ZINC001589318842 1080480909 /nfs/dbraw/zinc/48/09/09/1080480909.db2.gz CADOWZOVKXHYMR-UHFFFAOYSA-N -1 1 368.347 2.682 20 30 FFEDMM CC(C)(NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cccc(C#N)c1 ZINC001589318842 1080480913 /nfs/dbraw/zinc/48/09/13/1080480913.db2.gz CADOWZOVKXHYMR-UHFFFAOYSA-N -1 1 368.347 2.682 20 30 FFEDMM CC(C)c1ccc(O[C@H](C)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001589879259 1080826397 /nfs/dbraw/zinc/82/63/97/1080826397.db2.gz IWNNQAJBPRCWEJ-GFCCVEGCSA-N -1 1 364.413 2.531 20 30 FFEDMM CC1(C)CC[C@@H](CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c2ccccc21 ZINC001590089713 1081001236 /nfs/dbraw/zinc/00/12/36/1081001236.db2.gz CFMNZBHGUYVLOZ-LBPRGKRZSA-N -1 1 360.425 2.795 20 30 FFEDMM CC1(C)CC[C@@H](CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c2ccccc21 ZINC001590089713 1081001245 /nfs/dbraw/zinc/00/12/45/1081001245.db2.gz CFMNZBHGUYVLOZ-LBPRGKRZSA-N -1 1 360.425 2.795 20 30 FFEDMM CC1(C)CCCC[C@H]1NN=C1CCCc2c1c[nH]c(=O)c2-c1nn[n-]n1 ZINC001590096320 1081008695 /nfs/dbraw/zinc/00/86/95/1081008695.db2.gz FBOJFOGJCHFDSZ-CQSZACIVSA-N -1 1 355.446 2.566 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H](C)C#N ZINC000068925645 221319623 /nfs/dbraw/zinc/31/96/23/221319623.db2.gz UQMWGVQPBZPYRG-LBPRGKRZSA-N -1 1 361.398 2.577 20 30 FFEDMM N#CC1(NC(=O)c2ccc(I)c([O-])c2)CCCCC1 ZINC000230891268 509440947 /nfs/dbraw/zinc/44/09/47/509440947.db2.gz WUIJBQHQIHVSEY-UHFFFAOYSA-N -1 1 370.190 2.953 20 30 FFEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055564434 506779292 /nfs/dbraw/zinc/77/92/92/506779292.db2.gz CWAQHXKPARKGDM-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000055589024 506790078 /nfs/dbraw/zinc/79/00/78/506790078.db2.gz GIQCPBRZHBOKNJ-UHFFFAOYSA-N -1 1 363.826 2.681 20 30 FFEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1CO ZINC000067660091 506967355 /nfs/dbraw/zinc/96/73/55/506967355.db2.gz YKRJHHSRFJJPCJ-UHFFFAOYSA-N -1 1 366.826 2.903 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(OC)c2)n1 ZINC000067895250 507044695 /nfs/dbraw/zinc/04/46/95/507044695.db2.gz YKRUCBMAAQULQF-NSHDSACASA-N -1 1 360.391 2.827 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000029330118 507774746 /nfs/dbraw/zinc/77/47/46/507774746.db2.gz QFZMVXPVCIEYLD-UHFFFAOYSA-N -1 1 356.407 2.667 20 30 FFEDMM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1nc(-c2ccncc2)cs1 ZINC000114620625 508331876 /nfs/dbraw/zinc/33/18/76/508331876.db2.gz FXFTZIABFSQDLY-HNNXBMFYSA-N -1 1 373.401 2.671 20 30 FFEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)c1 ZINC000137642698 508762161 /nfs/dbraw/zinc/76/21/61/508762161.db2.gz SZIIVGRYEAPIEL-UHFFFAOYSA-N -1 1 366.830 2.560 20 30 FFEDMM CCOc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124421804 508829376 /nfs/dbraw/zinc/82/93/76/508829376.db2.gz ABRPPVXPMBMLSY-UHFFFAOYSA-N -1 1 352.362 2.714 20 30 FFEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3cccc(F)c3)nc(=O)c2c1C ZINC000155448794 509003876 /nfs/dbraw/zinc/00/38/76/509003876.db2.gz IZYVVXADLCWMCY-LBPRGKRZSA-N -1 1 356.382 2.986 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)cc1 ZINC000132593790 509050057 /nfs/dbraw/zinc/05/00/57/509050057.db2.gz ZMLOIZXCUSFSDU-UHFFFAOYSA-N -1 1 372.446 2.996 20 30 FFEDMM CC#CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000126677099 509112251 /nfs/dbraw/zinc/11/22/51/509112251.db2.gz VFJAWVCOFKAZKU-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1Cl ZINC000121271357 509161140 /nfs/dbraw/zinc/16/11/40/509161140.db2.gz ADCYVJPGWATEEN-UHFFFAOYSA-N -1 1 373.825 2.652 20 30 FFEDMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc2o1 ZINC000175921642 509216754 /nfs/dbraw/zinc/21/67/54/509216754.db2.gz RRQYHEZFZHADKJ-UHFFFAOYSA-N -1 1 357.391 2.955 20 30 FFEDMM CCOc1cc2c(cc1CNC(=O)c1ccc(C#N)c([O-])c1)O[C@@H](C)C2 ZINC000189902152 509818906 /nfs/dbraw/zinc/81/89/06/509818906.db2.gz LDJXAQDNURTVOG-LBPRGKRZSA-N -1 1 352.390 2.916 20 30 FFEDMM C[C@H](C#N)CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184149336 510160316 /nfs/dbraw/zinc/16/03/16/510160316.db2.gz GJSJRZNKMUVHSN-CYBMUJFWSA-N -1 1 358.423 2.769 20 30 FFEDMM CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000190540018 510192628 /nfs/dbraw/zinc/19/26/28/510192628.db2.gz QNPMLDWRFQYMML-UHFFFAOYSA-N -1 1 352.394 2.724 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000177990546 510363186 /nfs/dbraw/zinc/36/31/86/510363186.db2.gz SQCMGGYAYYNYSD-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](C)C#N)cc2)c1 ZINC000171846071 510404818 /nfs/dbraw/zinc/40/48/18/510404818.db2.gz GKTAHSLDZRVOSP-CQSZACIVSA-N -1 1 371.462 2.994 20 30 FFEDMM COC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(C)o1 ZINC000185016968 510636455 /nfs/dbraw/zinc/63/64/55/510636455.db2.gz OFYHMOXAYRBURO-CYBMUJFWSA-N -1 1 354.815 2.779 20 30 FFEDMM C#CC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000270481402 510883673 /nfs/dbraw/zinc/88/36/73/510883673.db2.gz OGNRJWUZXSEYBE-SFHVURJKSA-N -1 1 362.433 2.865 20 30 FFEDMM COC(=O)c1cnc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[n-]1 ZINC000278624029 511001838 /nfs/dbraw/zinc/00/18/38/511001838.db2.gz JYAMDJYKTULVQI-VMBJYNEYSA-N -1 1 364.471 2.608 20 30 FFEDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000278624029 511001842 /nfs/dbraw/zinc/00/18/42/511001842.db2.gz JYAMDJYKTULVQI-VMBJYNEYSA-N -1 1 364.471 2.608 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(CN2CCCC2=O)cc1 ZINC000280029575 511309959 /nfs/dbraw/zinc/30/99/59/511309959.db2.gz VSWIDWDPRULZDI-UHFFFAOYSA-N -1 1 369.446 2.676 20 30 FFEDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000281452154 511853560 /nfs/dbraw/zinc/85/35/60/511853560.db2.gz KXAPAOYSHYIIEK-UHFFFAOYSA-N -1 1 359.329 2.606 20 30 FFEDMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000392396645 512924660 /nfs/dbraw/zinc/92/46/60/512924660.db2.gz HKTPPVWEVPLTJR-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)o1 ZINC000434028083 513219113 /nfs/dbraw/zinc/21/91/13/513219113.db2.gz PMQUQQKFPBFFLE-CYBMUJFWSA-N -1 1 367.471 2.511 20 30 FFEDMM C=CCCS(=O)(=O)[N-]c1ccc(I)cc1OC ZINC000451082603 513505948 /nfs/dbraw/zinc/50/59/48/513505948.db2.gz MMHGGTMDLBJGLN-UHFFFAOYSA-N -1 1 367.208 2.618 20 30 FFEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccc(C)o1 ZINC000451272055 513643127 /nfs/dbraw/zinc/64/31/27/513643127.db2.gz VZRLPFXSWOAXQF-AWEZNQCLSA-N -1 1 368.842 2.974 20 30 FFEDMM COc1cc([C@@H](C#N)NC(=O)c2cc(F)ccc2[O-])cc(OC)c1OC ZINC000436547301 513892659 /nfs/dbraw/zinc/89/26/59/513892659.db2.gz WSWULFHXTMXRQD-CYBMUJFWSA-N -1 1 360.341 2.552 20 30 FFEDMM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436607499 513916613 /nfs/dbraw/zinc/91/66/13/513916613.db2.gz OOALZKHFARXSBC-UHFFFAOYSA-N -1 1 369.384 2.980 20 30 FFEDMM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443289211 513922132 /nfs/dbraw/zinc/92/21/32/513922132.db2.gz YQQFAPIYKNTYQC-DLBZAZTESA-N -1 1 356.422 2.848 20 30 FFEDMM COC(=O)c1ccc([O-])c(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 ZINC000436686714 513944360 /nfs/dbraw/zinc/94/43/60/513944360.db2.gz PLHYLDLWOWENIX-UHFFFAOYSA-N -1 1 354.337 2.860 20 30 FFEDMM N#Cc1ccc(C(=O)CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436698914 513948190 /nfs/dbraw/zinc/94/81/90/513948190.db2.gz ODSUROVYQRAJLZ-UHFFFAOYSA-N -1 1 359.179 2.639 20 30 FFEDMM COCC1(C#N)CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436728320 513960114 /nfs/dbraw/zinc/96/01/14/513960114.db2.gz KDUVAECGQVQEHE-UHFFFAOYSA-N -1 1 353.216 2.547 20 30 FFEDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427300366 514176114 /nfs/dbraw/zinc/17/61/14/514176114.db2.gz CZKVCXUPSPRWRO-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000424217128 514420126 /nfs/dbraw/zinc/42/01/26/514420126.db2.gz XOVWNBIIAGHRSF-LURJTMIESA-N -1 1 357.151 2.550 20 30 FFEDMM COc1cc(OC)c(C[C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c(OC)c1 ZINC000452695072 514461323 /nfs/dbraw/zinc/46/13/23/514461323.db2.gz CUAGRNQSOKQJQD-LBPRGKRZSA-N -1 1 370.405 2.651 20 30 FFEDMM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000508127450 514680617 /nfs/dbraw/zinc/68/06/17/514680617.db2.gz JBSHNKGPWGZIHE-GFCCVEGCSA-N -1 1 355.218 2.730 20 30 FFEDMM CCCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000498023536 514728260 /nfs/dbraw/zinc/72/82/60/514728260.db2.gz UCGPHTRCFMKNOC-UHFFFAOYSA-N -1 1 357.435 2.863 20 30 FFEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)n[nH]1 ZINC000475817144 514821878 /nfs/dbraw/zinc/82/18/78/514821878.db2.gz VDGDYACESDEBQF-UHFFFAOYSA-N -1 1 353.407 2.647 20 30 FFEDMM CC#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000498608214 514993244 /nfs/dbraw/zinc/99/32/44/514993244.db2.gz UGDFHKUKLKICQL-UHFFFAOYSA-N -1 1 360.410 2.770 20 30 FFEDMM CCC1CCC([N-]S(=O)(=O)CC2(C#N)CCCCC2)(C(=O)OC)CC1 ZINC000476336777 515008503 /nfs/dbraw/zinc/00/85/03/515008503.db2.gz WJHSJOKYBBVCOU-UHFFFAOYSA-N -1 1 370.515 2.892 20 30 FFEDMM Cc1csc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)n1 ZINC000550824241 516441483 /nfs/dbraw/zinc/44/14/83/516441483.db2.gz CIJIRFMXPGUQQP-UHFFFAOYSA-N -1 1 372.269 2.564 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)ccc1Cl ZINC000551171411 516592066 /nfs/dbraw/zinc/59/20/66/516592066.db2.gz KCJVEEFBJGWJRH-UHFFFAOYSA-N -1 1 350.709 2.754 20 30 FFEDMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000513397509 516603918 /nfs/dbraw/zinc/60/39/18/516603918.db2.gz VJHBAIFFDRBFON-ZDUSSCGKSA-N -1 1 373.434 2.641 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)o1 ZINC000561530973 516635806 /nfs/dbraw/zinc/63/58/06/516635806.db2.gz FFIKCPQPJYPTLM-SNVBAGLBSA-N -1 1 369.805 2.501 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)c(F)c1 ZINC000548215363 516832369 /nfs/dbraw/zinc/83/23/69/516832369.db2.gz APHINGMLSGBSEK-UHFFFAOYSA-N -1 1 372.736 2.989 20 30 FFEDMM N#CC(=C([O-])c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccncn1 ZINC000544814856 516939665 /nfs/dbraw/zinc/93/96/65/516939665.db2.gz MBHLRAWVRZFUME-INIZCTEOSA-N -1 1 355.419 2.683 20 30 FFEDMM N#CC1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCC1 ZINC000519492247 517014914 /nfs/dbraw/zinc/01/49/14/517014914.db2.gz WNWUNUOWWDXTKS-UHFFFAOYSA-N -1 1 355.419 2.663 20 30 FFEDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C2CC2)no1 ZINC000555756708 517104556 /nfs/dbraw/zinc/10/45/56/517104556.db2.gz TXYAHTIJTBWVJH-HNNXBMFYSA-N -1 1 366.830 2.507 20 30 FFEDMM N#CCc1ccc(OC[C@H](O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000515312654 517292804 /nfs/dbraw/zinc/29/28/04/517292804.db2.gz OUUJDDZXPKQTAM-AWEZNQCLSA-N -1 1 357.435 2.658 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000527487124 517703864 /nfs/dbraw/zinc/70/38/64/517703864.db2.gz BYEIGQNAALJGEB-CQSZACIVSA-N -1 1 350.296 2.746 20 30 FFEDMM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCC1 ZINC000553798812 517912568 /nfs/dbraw/zinc/91/25/68/517912568.db2.gz YEECNTXJFXOFMU-UHFFFAOYSA-N -1 1 360.435 2.950 20 30 FFEDMM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553816451 517920210 /nfs/dbraw/zinc/92/02/10/517920210.db2.gz RYEXGRPEDVHAKC-GFCCVEGCSA-N -1 1 366.464 2.867 20 30 FFEDMM Cn1cc(CC[N-]S(=O)(=O)c2ccc(C#N)o2)c2ccc(Cl)cc21 ZINC000553856203 517934850 /nfs/dbraw/zinc/93/48/50/517934850.db2.gz AKGLAXWCLNZYPR-UHFFFAOYSA-N -1 1 363.826 2.817 20 30 FFEDMM Cn1ccnc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1F ZINC000589166620 518937029 /nfs/dbraw/zinc/93/70/29/518937029.db2.gz WCLHNRSFGBBZQK-QGZVFWFLSA-N -1 1 350.353 2.656 20 30 FFEDMM COc1cc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc(OC)c1OC ZINC000589169742 518938847 /nfs/dbraw/zinc/93/88/47/518938847.db2.gz PIABISUAUTVPFR-NSHDSACASA-N -1 1 356.378 2.781 20 30 FFEDMM C[C@H](c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1)N1CCOCC1 ZINC000589180068 518941754 /nfs/dbraw/zinc/94/17/54/518941754.db2.gz ULBZDNDFVOGMRY-CQSZACIVSA-N -1 1 351.406 2.909 20 30 FFEDMM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589179602 518942104 /nfs/dbraw/zinc/94/21/04/518942104.db2.gz CAWQIRFYDBDGMK-UHFFFAOYSA-N -1 1 374.343 2.748 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC000589196873 518946997 /nfs/dbraw/zinc/94/69/97/518946997.db2.gz WVEBPKLNZILJRQ-LBPRGKRZSA-N -1 1 373.771 2.592 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)c1 ZINC000589196646 518947073 /nfs/dbraw/zinc/94/70/73/518947073.db2.gz QBOLKKWZDZNCIK-UHFFFAOYSA-N -1 1 356.345 2.645 20 30 FFEDMM CCN(CC)C(=O)CCC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589199581 518948565 /nfs/dbraw/zinc/94/85/65/518948565.db2.gz IPPFMUFQDLNZJN-UHFFFAOYSA-N -1 1 357.454 2.765 20 30 FFEDMM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1Oc1ccccc1 ZINC000589207869 518951912 /nfs/dbraw/zinc/95/19/12/518951912.db2.gz VKLLEUOFDUVZGO-OTWHNJEPSA-N -1 1 352.390 2.619 20 30 FFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC(C#N)C2)cc1 ZINC000590484859 519246194 /nfs/dbraw/zinc/24/61/94/519246194.db2.gz HYZBJHWDTPIDKW-UHFFFAOYSA-N -1 1 373.409 2.531 20 30 FFEDMM N#CCN1CCC(N=c2[n-]c(C(F)(F)F)c(Br)s2)CC1 ZINC000591365359 519609854 /nfs/dbraw/zinc/60/98/54/519609854.db2.gz YRUGRZIMYFHXSZ-UHFFFAOYSA-N -1 1 369.210 2.746 20 30 FFEDMM N#CC1(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCOCC1 ZINC000612382018 519928768 /nfs/dbraw/zinc/92/87/68/519928768.db2.gz LBRQMRFYYBAVGX-UHFFFAOYSA-N -1 1 356.422 2.524 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H](C#N)CC(C)C ZINC000608823723 520138889 /nfs/dbraw/zinc/13/88/89/520138889.db2.gz GXFXTBJASBOQHP-OAHLLOKOSA-N -1 1 353.426 2.540 20 30 FFEDMM C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000610083331 520534089 /nfs/dbraw/zinc/53/40/89/520534089.db2.gz WVBTXGSHDBJDLK-WMLDXEAASA-N -1 1 373.453 2.811 20 30 FFEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)C2)nc1 ZINC000601589381 520853802 /nfs/dbraw/zinc/85/38/02/520853802.db2.gz DWRKHFJTDJTZDV-AWEZNQCLSA-N -1 1 357.797 2.535 20 30 FFEDMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614296732 520894371 /nfs/dbraw/zinc/89/43/71/520894371.db2.gz QBIPDQIDOWBMAY-CYBMUJFWSA-N -1 1 351.406 2.722 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000614374070 520931374 /nfs/dbraw/zinc/93/13/74/520931374.db2.gz ZIKPDVMKKDGVJZ-INIZCTEOSA-N -1 1 373.771 2.592 20 30 FFEDMM N#C[C@]1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCc2ccccc2C1 ZINC000601963485 521044180 /nfs/dbraw/zinc/04/41/80/521044180.db2.gz UOJOCSMYCFVSFP-INIZCTEOSA-N -1 1 352.362 2.947 20 30 FFEDMM C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)n1 ZINC000593827294 521234618 /nfs/dbraw/zinc/23/46/18/521234618.db2.gz CLJSQUMKYXRWSC-YVEFUNNKSA-N -1 1 366.421 2.865 20 30 FFEDMM N#Cc1cccc(CN2CCC(NC(=O)c3c([O-])cc(F)cc3F)CC2)c1 ZINC000593885964 521272313 /nfs/dbraw/zinc/27/23/13/521272313.db2.gz LLRHKOZSHZDCGV-UHFFFAOYSA-N -1 1 371.387 2.936 20 30 FFEDMM COCCn1ncc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc21 ZINC000619462305 521581291 /nfs/dbraw/zinc/58/12/91/521581291.db2.gz CFDVITPMUCTNID-UHFFFAOYSA-N -1 1 370.434 2.550 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc(-n2cccn2)c1 ZINC000619464033 521582649 /nfs/dbraw/zinc/58/26/49/521582649.db2.gz CSXVVTLKOMYZKS-UHFFFAOYSA-N -1 1 368.418 2.748 20 30 FFEDMM C=CCCOCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735416959 598834935 /nfs/dbraw/zinc/83/49/35/598834935.db2.gz VFGYNUMQXKJLCI-UHFFFAOYSA-N -1 1 369.450 2.804 20 30 FFEDMM C=C(CSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1)C(=O)OCC ZINC000735401969 598891772 /nfs/dbraw/zinc/89/17/72/598891772.db2.gz BUQQIOLQLHKZLW-UHFFFAOYSA-N -1 1 373.360 2.800 20 30 FFEDMM C#CC(C)(C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735374464 598910660 /nfs/dbraw/zinc/91/06/60/598910660.db2.gz DBNHPIDLARUZOC-UHFFFAOYSA-N -1 1 365.368 2.940 20 30 FFEDMM C#CC(C)(C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735374464 598910661 /nfs/dbraw/zinc/91/06/61/598910661.db2.gz DBNHPIDLARUZOC-UHFFFAOYSA-N -1 1 365.368 2.940 20 30 FFEDMM C#CCOc1cccc([C@@H](C)OC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000735381591 599027330 /nfs/dbraw/zinc/02/73/30/599027330.db2.gz WGBIGROBIHWLDN-LLVKDONJSA-N -1 1 354.391 2.858 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC(O)(C(F)(F)F)CC2)o1 ZINC000735939096 599157957 /nfs/dbraw/zinc/15/79/57/599157957.db2.gz JPDGEFORHHXLCK-UHFFFAOYSA-N -1 1 373.339 2.613 20 30 FFEDMM C#CCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819692718 599191863 /nfs/dbraw/zinc/19/18/63/599191863.db2.gz HUYHMGSLRFWUTN-UHFFFAOYSA-N -1 1 365.368 2.941 20 30 FFEDMM C#CCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819692718 599191867 /nfs/dbraw/zinc/19/18/67/599191867.db2.gz HUYHMGSLRFWUTN-UHFFFAOYSA-N -1 1 365.368 2.941 20 30 FFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000819811651 597662558 /nfs/dbraw/zinc/66/25/58/597662558.db2.gz TUWGXAKBLPKOOD-KUHUBIRLSA-N -1 1 373.457 2.563 20 30 FFEDMM CC(C)c1ccc([C@H](C)CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC000735923059 599602053 /nfs/dbraw/zinc/60/20/53/599602053.db2.gz JQAVRVMENYDTII-LLVKDONJSA-N -1 1 364.413 2.717 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000738608230 600306665 /nfs/dbraw/zinc/30/66/65/600306665.db2.gz HMASNTBDQKNQGS-AEFFLSMTSA-N -1 1 369.465 2.817 20 30 FFEDMM COc1ccc(-c2nc(SC/C=C(/C)C(=O)[O-])[nH]c(=O)c2C#N)cc1 ZINC000832130057 600728116 /nfs/dbraw/zinc/72/81/16/600728116.db2.gz VSDKJMHVGOTMCA-YFHOEESVSA-N -1 1 357.391 2.852 20 30 FFEDMM N#Cc1cccc([C@@H](Nc2ccc(CCN3CCOCC3)cc2)C(=O)[O-])c1 ZINC000833075962 601302448 /nfs/dbraw/zinc/30/24/48/601302448.db2.gz OUZWPMTVLITRPF-HXUWFJFHSA-N -1 1 365.433 2.671 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1Cl ZINC000832888123 601535117 /nfs/dbraw/zinc/53/51/17/601535117.db2.gz DRRZGJCZBGFKAN-UKRRQHHQSA-N -1 1 363.845 2.548 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738491562 602529500 /nfs/dbraw/zinc/52/95/00/602529500.db2.gz KICRUWNXLGULRB-CABCVRRESA-N -1 1 365.499 2.583 20 30 FFEDMM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833596344 604617684 /nfs/dbraw/zinc/61/76/84/604617684.db2.gz MWISTVGVQBUHCA-UONOGXRCSA-N -1 1 373.453 2.992 20 30 FFEDMM Cc1cc(C(O)=C(C#N)c2nnc3n2CCCCC3)ccc1NC(=O)[O-] ZINC000829903986 605345599 /nfs/dbraw/zinc/34/55/99/605345599.db2.gz DRDCZDDHRPSARS-CYBMUJFWSA-N -1 1 353.382 2.893 20 30 FFEDMM Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1NC(=O)[O-] ZINC000829903986 605345606 /nfs/dbraw/zinc/34/56/06/605345606.db2.gz DRDCZDDHRPSARS-CYBMUJFWSA-N -1 1 353.382 2.893 20 30 FFEDMM N#Cc1cccc(-c2nnc(CN3CCC4(C3)CCN(C(=O)[O-])CC4)o2)c1 ZINC000833977080 605902798 /nfs/dbraw/zinc/90/27/98/605902798.db2.gz NTAHKWOGMGKDNW-UHFFFAOYSA-N -1 1 367.409 2.574 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCN(c3nccs3)CC2)o1 ZINC000820198516 606988124 /nfs/dbraw/zinc/98/81/24/606988124.db2.gz YUJOGIZFDVTNJR-UHFFFAOYSA-N -1 1 373.446 2.503 20 30 FFEDMM CC(=O)Nc1ccccc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824005431 607887163 /nfs/dbraw/zinc/88/71/63/607887163.db2.gz RWUYCPRBNJFTDI-UHFFFAOYSA-N -1 1 368.401 2.557 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(Cl)cccc2N2CCCC2)o1 ZINC000826322991 608110597 /nfs/dbraw/zinc/11/05/97/608110597.db2.gz KZYCIRNGJIKCRF-UHFFFAOYSA-N -1 1 372.820 2.863 20 30 FFEDMM C=CCCC[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000823894106 608332655 /nfs/dbraw/zinc/33/26/55/608332655.db2.gz HOQGOVLZXHBMEW-LLVKDONJSA-N -1 1 359.430 2.805 20 30 FFEDMM C#Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)cn1 ZINC000823861958 608347802 /nfs/dbraw/zinc/34/78/02/608347802.db2.gz VDGDXTSCOMTBKC-UHFFFAOYSA-N -1 1 352.423 2.854 20 30 FFEDMM C#Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)cn1 ZINC000823861958 608347803 /nfs/dbraw/zinc/34/78/03/608347803.db2.gz VDGDXTSCOMTBKC-UHFFFAOYSA-N -1 1 352.423 2.854 20 30 FFEDMM Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000156325104 728848032 /nfs/dbraw/zinc/84/80/32/728848032.db2.gz IDYITTBGQIOTMO-UHFFFAOYSA-N -1 1 352.318 2.644 20 30 FFEDMM [O-]c1c(Br)cccc1C=NNC(=S)NCC(F)(F)F ZINC000746497098 735488710 /nfs/dbraw/zinc/48/87/10/735488710.db2.gz XVBAQBKJOPFFEX-UHFFFAOYSA-N -1 1 356.167 2.515 20 30 FFEDMM C=CCn1c(Cc2csc(NC(=O)COCCCC)n2)n[n-]c1=S ZINC000118493381 728582812 /nfs/dbraw/zinc/58/28/12/728582812.db2.gz IGSLXQLCMMFQLH-UHFFFAOYSA-N -1 1 367.500 2.929 20 30 FFEDMM N#Cc1ccc(OC2CN(C(=O)c3ccc(Br)c([O-])c3)C2)cc1 ZINC000130346531 728717047 /nfs/dbraw/zinc/71/70/47/728717047.db2.gz VMLIQDLIINHAQI-UHFFFAOYSA-N -1 1 373.206 2.930 20 30 FFEDMM C#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000172937100 729036004 /nfs/dbraw/zinc/03/60/04/729036004.db2.gz LYZANSBHXXFEFS-UHFFFAOYSA-N -1 1 360.410 2.770 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000185322136 729346578 /nfs/dbraw/zinc/34/65/78/729346578.db2.gz JWHRDLLGPOWSNU-LLVKDONJSA-N -1 1 364.373 2.517 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)o1 ZINC000193338252 729475544 /nfs/dbraw/zinc/47/55/44/729475544.db2.gz WVGDVMMOZFJZSV-WJCMJQHKSA-N -1 1 356.765 2.754 20 30 FFEDMM Cc1nnnn1-c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000651380687 731081245 /nfs/dbraw/zinc/08/12/45/731081245.db2.gz BYEMPMHTGJPLSW-AWEZNQCLSA-N -1 1 350.407 2.795 20 30 FFEDMM N#CC[C@H]1CCCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC000869230658 731377387 /nfs/dbraw/zinc/37/73/87/731377387.db2.gz JCVDYYZVZIWAKG-SNVBAGLBSA-N -1 1 370.190 2.763 20 30 FFEDMM CN(C(=O)c1ccc(I)cc1[O-])[C@H]1CCC[C@@H]1C#N ZINC000870675686 731543397 /nfs/dbraw/zinc/54/33/97/731543397.db2.gz HPWBKBMTGDPKIH-SKDRFNHKSA-N -1 1 370.190 2.761 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NN(C)C(=S)NCc2ccccc2)c1 ZINC000726736681 734442056 /nfs/dbraw/zinc/44/20/56/734442056.db2.gz QFLMXUKZTRWZSY-UHFFFAOYSA-N -1 1 357.435 2.519 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2csc(-c3cccs3)n2)c2ccccc21 ZINC000728425955 734527532 /nfs/dbraw/zinc/52/75/32/734527532.db2.gz QFAIRYCQOPYCLV-UHFFFAOYSA-N -1 1 374.472 2.944 20 30 FFEDMM O=c1nc(NN=Cc2ccc(-c3ccccc3Cl)o2)nc2[nH][n-]cc1-2 ZINC000731157446 734668750 /nfs/dbraw/zinc/66/87/50/734668750.db2.gz LCWCCMKDFNHZCG-UHFFFAOYSA-N -1 1 354.757 2.791 20 30 FFEDMM CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)cc1Cl ZINC000731155169 734668783 /nfs/dbraw/zinc/66/87/83/734668783.db2.gz BHMGCZPPMVCDOC-UHFFFAOYSA-N -1 1 351.197 2.965 20 30 FFEDMM C#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000733288326 734804329 /nfs/dbraw/zinc/80/43/29/734804329.db2.gz JQIZEBPAYNLXDF-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000733320944 734809102 /nfs/dbraw/zinc/80/91/02/734809102.db2.gz WSCKFAVZZLGHFD-VIFPVBQESA-N -1 1 369.258 2.700 20 30 FFEDMM C=CCCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000735412631 734946358 /nfs/dbraw/zinc/94/63/58/734946358.db2.gz GDXSMYIQKZYWHK-UHFFFAOYSA-N -1 1 360.215 2.910 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2scnc2C)cc1 ZINC000735911096 734966318 /nfs/dbraw/zinc/96/63/18/734966318.db2.gz JAGOPAIFBOZTOI-CYBMUJFWSA-N -1 1 357.391 2.589 20 30 FFEDMM C[C@@H]1C[C@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CO1 ZINC000784487974 738897520 /nfs/dbraw/zinc/89/75/20/738897520.db2.gz BJMCYHJREIEIMM-JFGNBEQYSA-N -1 1 357.435 2.877 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(Cl)ccc1OC(F)F ZINC000748076657 735615091 /nfs/dbraw/zinc/61/50/91/735615091.db2.gz YAJIHPUDQNRSKO-UHFFFAOYSA-N -1 1 368.731 2.523 20 30 FFEDMM CSc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000748248104 735630215 /nfs/dbraw/zinc/63/02/15/735630215.db2.gz GJGFLPTZEHTBAT-UHFFFAOYSA-N -1 1 351.409 2.629 20 30 FFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1cnn(CC(F)(F)F)c1 ZINC000901092210 735743761 /nfs/dbraw/zinc/74/37/61/735743761.db2.gz SBJHOQQESMTSGJ-UHFFFAOYSA-N -1 1 358.270 2.725 20 30 FFEDMM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)ccc1O ZINC000751216480 735854466 /nfs/dbraw/zinc/85/44/66/735854466.db2.gz LIAUSUKTUXKQNZ-UHFFFAOYSA-N -1 1 366.782 2.725 20 30 FFEDMM CC(C)O[C@]1(CS(=O)(=O)[N-]c2ccc(C#N)cc2C2CC2)CCOC1 ZINC000901965925 735881365 /nfs/dbraw/zinc/88/13/65/735881365.db2.gz JWQPRFKVKNZNGR-GOSISDBHSA-N -1 1 364.467 2.761 20 30 FFEDMM N#Cc1c(F)cccc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000759113702 736548013 /nfs/dbraw/zinc/54/80/13/736548013.db2.gz GIFDQQXYHJWLKY-UHFFFAOYSA-N -1 1 362.382 2.905 20 30 FFEDMM C#C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000799048329 740384018 /nfs/dbraw/zinc/38/40/18/740384018.db2.gz FXWJMFAIRNWBGJ-SFHVURJKSA-N -1 1 356.447 2.875 20 30 FFEDMM CCCCCCCS(=O)(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908017728 736702883 /nfs/dbraw/zinc/70/28/83/736702883.db2.gz XEGDGDNBUUSDDQ-ZDUSSCGKSA-N -1 1 357.476 2.628 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2nc3ccc(F)cc3s2)c2ccccc21 ZINC000761782117 736761390 /nfs/dbraw/zinc/76/13/90/736761390.db2.gz OQQLIXRHPXJGQN-UHFFFAOYSA-N -1 1 360.395 2.508 20 30 FFEDMM O=S(=O)(NN=Cc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000764722715 737043673 /nfs/dbraw/zinc/04/36/73/737043673.db2.gz XWKUNYHPJLVJPZ-UHFFFAOYSA-N -1 1 373.203 2.606 20 30 FFEDMM O=C([O-])c1ccc2c(C=NNc3ccc(Br)nc3)n[nH]c2c1 ZINC000765574622 737134622 /nfs/dbraw/zinc/13/46/22/737134622.db2.gz CTGVLANJEXBOLH-UHFFFAOYSA-N -1 1 360.171 2.865 20 30 FFEDMM N#CC1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000766199299 737206475 /nfs/dbraw/zinc/20/64/75/737206475.db2.gz CHEFWYYGGQODJC-UHFFFAOYSA-N -1 1 373.272 2.658 20 30 FFEDMM COc1cc(Br)c(C=NNc2nc(C)cc(=O)[n-]2)cc1OC ZINC000916241789 737689444 /nfs/dbraw/zinc/68/94/44/737689444.db2.gz VADXJIFFKSUFAV-UHFFFAOYSA-N -1 1 367.203 2.716 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1[O-] ZINC000785609051 738981559 /nfs/dbraw/zinc/98/15/59/738981559.db2.gz XTRFMXRLRGMZMH-OAHLLOKOSA-N -1 1 350.296 2.746 20 30 FFEDMM CC(C)[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000814822074 741868169 /nfs/dbraw/zinc/86/81/69/741868169.db2.gz GPQDBWCHRVFFON-AWEZNQCLSA-N -1 1 357.457 2.532 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000775295690 738080969 /nfs/dbraw/zinc/08/09/69/738080969.db2.gz PMAXZFSYBXXQMO-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cccc(Br)n1 ZINC000777889114 738329225 /nfs/dbraw/zinc/32/92/25/738329225.db2.gz GNEJXNIVXHABGJ-UHFFFAOYSA-N -1 1 350.172 2.997 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000777934182 738332580 /nfs/dbraw/zinc/33/25/80/738332580.db2.gz XHUBQBIHTNAYNA-UHFFFAOYSA-N -1 1 364.354 2.855 20 30 FFEDMM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000794025512 739842189 /nfs/dbraw/zinc/84/21/89/739842189.db2.gz HGQFWNABGKEDPZ-UHFFFAOYSA-N -1 1 367.228 2.528 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000807790510 741159066 /nfs/dbraw/zinc/15/90/66/741159066.db2.gz PLZRWILUOJVJRF-OAHLLOKOSA-N -1 1 350.296 2.746 20 30 FFEDMM C=CCCOCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830957772 745458553 /nfs/dbraw/zinc/45/85/53/745458553.db2.gz MOOHJPZPBZOQIX-UHFFFAOYSA-N -1 1 369.226 2.773 20 30 FFEDMM CC(C)n1cc2c(n1)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)CCC2 ZINC000845911221 748351041 /nfs/dbraw/zinc/35/10/41/748351041.db2.gz HTIDWFZUIDVMKR-GFCCVEGCSA-N -1 1 350.469 2.753 20 30 FFEDMM O=C([N-][C@H]1CCCN(O)C1=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000848131341 748850597 /nfs/dbraw/zinc/85/05/97/748850597.db2.gz CUCSQXLAZKUIEI-JTQLQIEISA-N -1 1 353.152 2.582 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CCOCC1 ZINC000851826894 749690955 /nfs/dbraw/zinc/69/09/55/749690955.db2.gz BAUQEDVYUFJFRO-NSHDSACASA-N -1 1 366.241 2.839 20 30 FFEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000398286706 845871970 /nfs/dbraw/zinc/87/19/70/845871970.db2.gz UWVYLRXNVSJNPL-VIFPVBQESA-N -1 1 350.282 2.514 20 30 FFEDMM C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573306823 947176983 /nfs/dbraw/zinc/17/69/83/947176983.db2.gz NJSPKAOEOYOTDQ-BDJLRTHQSA-N -1 1 363.491 2.541 20 30 FFEDMM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001275957864 1013229194 /nfs/dbraw/zinc/22/91/94/1013229194.db2.gz XUFPFTQNOCFTMO-IBGZPJMESA-N -1 1 363.408 2.931 20 30 FFEDMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H](C)C#N ZINC001167876186 977136669 /nfs/dbraw/zinc/13/66/69/977136669.db2.gz HMOWGCFICRGKKF-CQSZACIVSA-N -1 1 357.435 2.862 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(OC)ns1)c1ccc(Cl)cc1F ZINC001211818960 978003783 /nfs/dbraw/zinc/00/37/83/978003783.db2.gz ISELZBZTYFXGTM-NSHDSACASA-N -1 1 360.819 2.597 20 30 FFEDMM C[C@](Cc1ccc(F)cc1)(NCc1c(C#N)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001592854147 979649758 /nfs/dbraw/zinc/64/97/58/979649758.db2.gz MUXPSTIEFDDQIF-GOSISDBHSA-N -1 1 357.341 2.781 20 30 FFEDMM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1C(=O)Nc2c1ccc([O-])c2F ZINC000841635809 980519938 /nfs/dbraw/zinc/51/99/38/980519938.db2.gz BCNVLIWFDVXJES-SNVBAGLBSA-N -1 1 371.368 2.527 20 30 FFEDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c2ccccc2O1 ZINC001211918929 981124844 /nfs/dbraw/zinc/12/48/44/981124844.db2.gz DZLMOGQKWGLAHB-BXUZGUMPSA-N -1 1 373.390 2.657 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908743037 981515577 /nfs/dbraw/zinc/51/55/77/981515577.db2.gz KVBOCKPUBWNARW-CVEARBPZSA-N -1 1 363.458 2.915 20 30 FFEDMM C#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@H](C)O)cc2)cc1 ZINC000765393091 985060323 /nfs/dbraw/zinc/06/03/23/985060323.db2.gz UNCSGGKHOWSUES-AWEZNQCLSA-N -1 1 373.430 2.721 20 30 FFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc2c(c1)CCCO2 ZINC000765571043 985196387 /nfs/dbraw/zinc/19/63/87/985196387.db2.gz BIPDZGGZCZDAMN-UHFFFAOYSA-N -1 1 369.446 2.864 20 30 FFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000914600033 987813805 /nfs/dbraw/zinc/81/38/05/987813805.db2.gz LYPWYJMDYVXNOB-UHFFFAOYSA-N -1 1 373.434 2.557 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N=C3C[C@@H](C)ON3)c2)cc1 ZINC000763259062 989322516 /nfs/dbraw/zinc/32/25/16/989322516.db2.gz JJYGJUVFLUEBHS-CYBMUJFWSA-N -1 1 373.434 2.648 20 30 FFEDMM CC(C)(C)OC(=O)N(CCCNC(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000809613518 994549016 /nfs/dbraw/zinc/54/90/16/994549016.db2.gz XFTOYFJPSRHQKY-UHFFFAOYSA-N -1 1 359.426 2.783 20 30 FFEDMM C[C@]1(C(=O)[O-])CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC001593776564 996478358 /nfs/dbraw/zinc/47/83/58/996478358.db2.gz LMPWLDHTABBPPK-SFHVURJKSA-N -1 1 363.845 2.773 20 30 FFEDMM COC(=O)[N-]C(=S)N(c1ccc(OCC#N)cc1)c1ccccc1N ZINC001212613310 998002759 /nfs/dbraw/zinc/00/27/59/998002759.db2.gz NLQFPBJPMNVWQU-UHFFFAOYSA-N -1 1 356.407 2.950 20 30 FFEDMM C[C@@H]1CC(=NNc2cc(C(=O)[O-])ccc2Br)c2ncnn21 ZINC001594197354 998763813 /nfs/dbraw/zinc/76/38/13/998763813.db2.gz QRZOIJWGFIZVSW-SSDOTTSWSA-N -1 1 350.176 2.520 20 30 FFEDMM COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000766546940 1000011988 /nfs/dbraw/zinc/01/19/88/1000011988.db2.gz FKVDXMDSGCXYLP-UHFFFAOYSA-N -1 1 373.434 2.866 20 30 FFEDMM COc1cc(CN=Nc2oc(C(C)(C)C)nc2C#N)cc([N+](=O)[O-])c1[O-] ZINC000746497206 1000348112 /nfs/dbraw/zinc/34/81/12/1000348112.db2.gz COERWYNRICUZLZ-UHFFFAOYSA-N -1 1 359.342 2.912 20 30 FFEDMM C=C(C)CO[N-]C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000846533446 1000354931 /nfs/dbraw/zinc/35/49/31/1000354931.db2.gz IUVZJFRTMKTRTO-UHFFFAOYSA-N -1 1 373.478 2.813 20 30 FFEDMM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cccc(-c2ccncc2)c1 ZINC000769818604 1000597907 /nfs/dbraw/zinc/59/79/07/1000597907.db2.gz IDLDRTSPKRKAEW-UHFFFAOYSA-N -1 1 359.393 2.967 20 30 FFEDMM O=C1N=C(N=NC2CCCCC[C@@H]2c2ccccc2C(F)(F)F)[N-]C1=O ZINC000770606532 1000859769 /nfs/dbraw/zinc/85/97/69/1000859769.db2.gz BHYJRWOKCPXLCU-LLVKDONJSA-N -1 1 366.343 2.711 20 30 FFEDMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000785626221 1001463768 /nfs/dbraw/zinc/46/37/68/1001463768.db2.gz UURVLFLYEPDBNG-OLZOCXBDSA-N -1 1 359.426 2.734 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)Cc1cc(Br)ccc1O ZINC001183921758 1002443985 /nfs/dbraw/zinc/44/39/85/1002443985.db2.gz WEDCNQAIOYUDNX-UHFFFAOYSA-N -1 1 364.199 2.523 20 30 FFEDMM CC(C)CC(=O)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001184323879 1002569048 /nfs/dbraw/zinc/56/90/48/1002569048.db2.gz FAOVIDBIMFJFML-GIJQJNRQSA-N -1 1 358.423 2.775 20 30 FFEDMM C#CC1CCN(C(=O)c2cc(I)c(C)cc2[O-])CC1 ZINC001196129402 1003672784 /nfs/dbraw/zinc/67/27/84/1003672784.db2.gz DTSMWZROITYFHV-UHFFFAOYSA-N -1 1 369.202 2.791 20 30 FFEDMM CSc1ncc(C(=O)N2CCC(Cc3ccc(C#N)cc3)CC2)c(=O)[n-]1 ZINC001191431192 1003822893 /nfs/dbraw/zinc/82/28/93/1003822893.db2.gz QVTZKLBLYVCRMA-UHFFFAOYSA-N -1 1 368.462 2.871 20 30 FFEDMM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001137920796 1003873652 /nfs/dbraw/zinc/87/36/52/1003873652.db2.gz HVLXCFNBNPMXIW-UHFFFAOYSA-N -1 1 362.838 2.894 20 30 FFEDMM Cc1cccc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)COC2)c1 ZINC001196702081 1003919395 /nfs/dbraw/zinc/91/93/95/1003919395.db2.gz QQMJYCMXJTZVQI-UHFFFAOYSA-N -1 1 362.838 2.724 20 30 FFEDMM COc1cc(COC(=O)c2cn[n-]n2)ccc1OCc1cccc(C#N)c1 ZINC000805608401 1004060687 /nfs/dbraw/zinc/06/06/87/1004060687.db2.gz CXFGPFCIVAGSFH-UHFFFAOYSA-N -1 1 364.361 2.621 20 30 FFEDMM CSc1nc(Cl)c(C(=O)N([O-])C(=N)c2ccccc2N)c(Cl)n1 ZINC001192628551 1004227020 /nfs/dbraw/zinc/22/70/20/1004227020.db2.gz VWGFPALNVCMRAB-UHFFFAOYSA-N -1 1 372.237 2.944 20 30 FFEDMM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000806559285 1004361437 /nfs/dbraw/zinc/36/14/37/1004361437.db2.gz YOQMIQALIDGUTL-BAQGIRSFSA-N -1 1 353.374 2.823 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1-c1cccc(F)c1 ZINC001193112287 1004376796 /nfs/dbraw/zinc/37/67/96/1004376796.db2.gz QDCRXWKHQUAQLK-LLVKDONJSA-N -1 1 350.419 2.963 20 30 FFEDMM CCC[N@H+]1CCc2c(N)sc(NC(=O)c3cccc(C#N)c3[O-])c2C1 ZINC001193642223 1004533730 /nfs/dbraw/zinc/53/37/30/1004533730.db2.gz DHCFKRDCDTZVLY-UHFFFAOYSA-N -1 1 356.451 2.928 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCN(C)C3=O)c2)cc1C#N ZINC001201320250 1005199120 /nfs/dbraw/zinc/19/91/20/1005199120.db2.gz UBSIYMJXHBBRSR-UHFFFAOYSA-N -1 1 370.434 2.539 20 30 FFEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1nnn(C(C)(C)C)n1 ZINC000850758713 1005836939 /nfs/dbraw/zinc/83/69/39/1005836939.db2.gz CQSXRZRRGCEMQM-CQSZACIVSA-N -1 1 368.441 2.514 20 30 FFEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nnn(C(C)(C)C)n2)cc1 ZINC000850761174 1005837293 /nfs/dbraw/zinc/83/72/93/1005837293.db2.gz IIKFGOCJKPAJBM-WFASDCNBSA-N -1 1 368.441 2.903 20 30 FFEDMM CCc1ccc(C#CC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000814444572 1006294970 /nfs/dbraw/zinc/29/49/70/1006294970.db2.gz YKFXSCMVZCOMSE-UHFFFAOYSA-N -1 1 372.446 2.619 20 30 FFEDMM COC(=O)CCS(=O)(=O)[N-]c1ccccc1C#Cc1ccc(F)cc1 ZINC001188393914 1006543460 /nfs/dbraw/zinc/54/34/60/1006543460.db2.gz UGKQSYIVGFGOEW-UHFFFAOYSA-N -1 1 361.394 2.530 20 30 FFEDMM COC([O-])=NC(=S)N(C(=O)c1cccc(CC#N)c1)c1ccccc1N ZINC001188682668 1006673885 /nfs/dbraw/zinc/67/38/85/1006673885.db2.gz UVHCUQQKIHQWCQ-UHFFFAOYSA-N -1 1 368.418 2.623 20 30 FFEDMM COC(=O)[N-]C(=S)N(C(=O)c1cccc(CC#N)c1)c1ccccc1N ZINC001188682668 1006673895 /nfs/dbraw/zinc/67/38/95/1006673895.db2.gz UVHCUQQKIHQWCQ-UHFFFAOYSA-N -1 1 368.418 2.623 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)CC[C@H]21 ZINC000817000805 1007314917 /nfs/dbraw/zinc/31/49/17/1007314917.db2.gz RVHNIQWXGCOBEU-HZPDHXFCSA-N -1 1 371.437 2.735 20 30 FFEDMM N#Cc1cnc(C[N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)s1 ZINC001190002247 1007419663 /nfs/dbraw/zinc/41/96/63/1007419663.db2.gz IFTGTLNKPTWLGJ-UHFFFAOYSA-N -1 1 365.333 2.651 20 30 FFEDMM C#C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])[C@@H]1CCCO1 ZINC000775349185 1007458622 /nfs/dbraw/zinc/45/86/22/1007458622.db2.gz MGXBZSLBXJFIFX-HOCLYGCPSA-N -1 1 360.410 2.650 20 30 FFEDMM C[C@H](CC#N)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856172376 1007710239 /nfs/dbraw/zinc/71/02/39/1007710239.db2.gz ZBOYFAWEJASZDD-BPLDGKMQSA-N -1 1 367.371 2.599 20 30 FFEDMM N#Cc1cc(Cl)c(NS(=O)(=O)c2ncc[n-]2)cc1C(F)(F)F ZINC001190737833 1007763208 /nfs/dbraw/zinc/76/32/08/1007763208.db2.gz VVPNLSCUTCNCDC-UHFFFAOYSA-N -1 1 350.709 2.754 20 30 FFEDMM C=CCC1(S(=O)(=O)[N-]c2c(C(=O)OCC)cnn2C(C)(C)C)CC1 ZINC001190776723 1007778606 /nfs/dbraw/zinc/77/86/06/1007778606.db2.gz MGLGDDUOALMEFY-UHFFFAOYSA-N -1 1 355.460 2.665 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC000857416765 1008141644 /nfs/dbraw/zinc/14/16/44/1008141644.db2.gz WMBMQWDVOJGTOG-FOIQADDNSA-N -1 1 371.437 2.783 20 30 FFEDMM COc1ccc(N2CC[C@H](CNC(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000819590773 1008186847 /nfs/dbraw/zinc/18/68/47/1008186847.db2.gz ZBKZIVZZZVRTMK-CQSZACIVSA-N -1 1 351.406 2.529 20 30 FFEDMM CN(CC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001136490891 1008491177 /nfs/dbraw/zinc/49/11/77/1008491177.db2.gz VUBBWXADNKOIDT-UHFFFAOYSA-N -1 1 363.826 2.736 20 30 FFEDMM N#Cc1ccc(N2C[C@H](C(=O)NCc3cccc(Cl)c3[O-])CC2=O)cc1 ZINC001180409591 1009684994 /nfs/dbraw/zinc/68/49/94/1009684994.db2.gz DJPIIOUCHICGAF-CQSZACIVSA-N -1 1 369.808 2.587 20 30 FFEDMM N#Cc1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC001180811487 1009866689 /nfs/dbraw/zinc/86/66/89/1009866689.db2.gz DOFVRYTVJBOXAZ-UHFFFAOYSA-N -1 1 364.188 2.939 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C12CCC2 ZINC000862680412 1009929345 /nfs/dbraw/zinc/92/93/45/1009929345.db2.gz WHWSDGWLVRELOV-INIZCTEOSA-N -1 1 371.437 2.926 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)c2cc(C)c(C#N)c(C)c2)[n-]c1=O ZINC000889787128 1010117050 /nfs/dbraw/zinc/11/70/50/1010117050.db2.gz QRRXIRXRGQNVQY-HNNXBMFYSA-N -1 1 352.394 2.657 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[n-]c1=O ZINC000889787984 1010119444 /nfs/dbraw/zinc/11/94/44/1010119444.db2.gz ULOZXXVRXLTVFR-ARFHVFGLSA-N -1 1 364.405 2.530 20 30 FFEDMM N#C[C@@H](C(=O)C[C@@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000119868913 1010391740 /nfs/dbraw/zinc/39/17/40/1010391740.db2.gz YLNHSYBHQFHODV-AAEUAGOBSA-N -1 1 371.462 2.999 20 30 FFEDMM C#Cc1cnc(N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)nc1 ZINC000866144162 1010938433 /nfs/dbraw/zinc/93/84/33/1010938433.db2.gz XSIPXEPKFHFEIX-ZDUSSCGKSA-N -1 1 360.339 2.762 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000122810593 1011993865 /nfs/dbraw/zinc/99/38/65/1011993865.db2.gz UKYHXHPGLPFLRJ-UHFFFAOYSA-N -1 1 370.430 2.729 20 30 FFEDMM N#Cc1ccc(N[C@H]2CCCN(C(=O)Cc3ccc([O-])c(Cl)c3)C2)nc1 ZINC000928716635 1019089290 /nfs/dbraw/zinc/08/92/90/1019089290.db2.gz NBPQRKNWUGLERJ-HNNXBMFYSA-N -1 1 370.840 2.958 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccnc1-2 ZINC000801700128 1019260429 /nfs/dbraw/zinc/26/04/29/1019260429.db2.gz IIBQTLGITUSUKP-UHFFFAOYSA-N -1 1 370.372 2.653 20 30 FFEDMM C#CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)cc1 ZINC000930246344 1019944671 /nfs/dbraw/zinc/94/46/71/1019944671.db2.gz IOOYRKDFPXHLHX-OAHLLOKOSA-N -1 1 368.393 2.572 20 30 FFEDMM CCOc1ccc(NC(=S)NN=Cc2cc(C(=O)OC)ccc2[O-])cc1 ZINC000726736544 1020514201 /nfs/dbraw/zinc/51/42/01/1020514201.db2.gz LYPCACGEMLEXJT-UHFFFAOYSA-N -1 1 373.434 2.898 20 30 FFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1F ZINC001116531338 1021267807 /nfs/dbraw/zinc/26/78/07/1021267807.db2.gz KORHMHKUJIPDOM-UHFFFAOYSA-N -1 1 363.370 2.871 20 30 FFEDMM COc1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])cc1CC(=O)[O-] ZINC000751205521 1022770571 /nfs/dbraw/zinc/77/05/71/1022770571.db2.gz NHKCVGVIJMBZQK-QHHAFSJGSA-N -1 1 357.318 2.832 20 30 FFEDMM N#Cc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1 ZINC000751215599 1022771785 /nfs/dbraw/zinc/77/17/85/1022771785.db2.gz RRQZVLMGNNFGRM-UHFFFAOYSA-N -1 1 372.402 2.642 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N(C)Cc1ccccc1O ZINC001122489930 1023300809 /nfs/dbraw/zinc/30/08/09/1023300809.db2.gz BUSLWLHENIUHMU-UHFFFAOYSA-N -1 1 359.821 2.635 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001122525618 1023319273 /nfs/dbraw/zinc/31/92/73/1023319273.db2.gz XRMLWBLRUAOZSN-TXEJJXNPSA-N -1 1 361.833 2.643 20 30 FFEDMM CC[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000753429016 1023324895 /nfs/dbraw/zinc/32/48/95/1023324895.db2.gz UTTHJNZPMLRSEF-HNNXBMFYSA-N -1 1 374.418 2.955 20 30 FFEDMM O=C(OCCC(F)(F)C(F)(F)F)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC001123212990 1023689781 /nfs/dbraw/zinc/68/97/81/1023689781.db2.gz NYNVRYSVTICIQZ-PHDIDXHHSA-N -1 1 357.197 2.574 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(C)CC1CC1 ZINC001121531351 1023830887 /nfs/dbraw/zinc/83/08/87/1023830887.db2.gz YOJDWDLSJBSZRQ-UHFFFAOYSA-N -1 1 363.425 2.535 20 30 FFEDMM CCOC(=O)c1cnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cn1 ZINC001155909187 1028970404 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373.619 2.565 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)ccc1F ZINC001259411748 1039982396 /nfs/dbraw/zinc/98/23/96/1039982396.db2.gz ANIUWQAAAYENNO-UHFFFAOYSA-N -1 1 360.414 2.883 20 30 FFEDMM CC1(C)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc2NC1=O ZINC001259418591 1039987163 /nfs/dbraw/zinc/98/71/63/1039987163.db2.gz GWYLCZKFOHBBNN-UHFFFAOYSA-N -1 1 359.382 2.728 20 30 FFEDMM COc1ccc(CN2CCCC[C@H]2C#N)c([O-])c1I ZINC001248494064 1040300680 /nfs/dbraw/zinc/30/06/80/1040300680.db2.gz GQCULHNQHSTTSL-NSHDSACASA-N -1 1 372.206 2.883 20 30 FFEDMM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001213626107 1040733466 /nfs/dbraw/zinc/73/34/66/1040733466.db2.gz FUNZGYDKXQYJGA-CQSZACIVSA-N -1 1 372.475 2.862 20 30 FFEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc3nc(C#N)sc3c2)c1 ZINC001260810244 1040815022 /nfs/dbraw/zinc/81/50/22/1040815022.db2.gz KQSVXCWQHDDMQP-UHFFFAOYSA-N -1 1 372.431 2.927 20 30 FFEDMM N#Cc1nc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)nc1C#N ZINC001260978711 1040906033 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FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(SC(F)F)cc1 ZINC001321816216 1045816159 /nfs/dbraw/zinc/81/61/59/1045816159.db2.gz AJHJOLWKANBCMS-UHFFFAOYSA-N -1 1 368.386 2.880 20 30 FFEDMM CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(F)F ZINC001324791208 1046228959 /nfs/dbraw/zinc/22/89/59/1046228959.db2.gz SEZBUPSOJVPXAE-GFCCVEGCSA-N -1 1 369.368 2.542 20 30 FFEDMM C=CCC(CC=C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001282807917 1046240952 /nfs/dbraw/zinc/24/09/52/1046240952.db2.gz ISIOKUJNOBMFJZ-KKSFZXQISA-N -1 1 369.465 2.667 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N(C)CCC1CCOCC1 ZINC001341756622 1050374567 /nfs/dbraw/zinc/37/45/67/1050374567.db2.gz XKBUFZWGWKBDSN-UHFFFAOYSA-N -1 1 365.869 2.546 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001341869107 1050478148 /nfs/dbraw/zinc/47/81/48/1050478148.db2.gz XIABTONAVBBLPC-INIZCTEOSA-N -1 1 365.869 2.688 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001340540958 1050930314 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2.687 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=c2cc(C)[nH]c3ccccc32)cc1C#N ZINC001336905258 1054330082 /nfs/dbraw/zinc/33/00/82/1054330082.db2.gz MCYOCPYPIPCVQB-UHFFFAOYSA-N -1 1 350.403 2.912 20 30 FFEDMM C=CCN(C)c1nnc(-c2cc(Cl)ncc2[O-])n1C[C@H]1CCCCO1 ZINC001349556634 1055338345 /nfs/dbraw/zinc/33/83/45/1055338345.db2.gz XOACJDQXQVFFIK-GFCCVEGCSA-N -1 1 363.849 2.890 20 30 FFEDMM N#C[C@@H](C(=O)[C@]1(F)CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC001357714932 1055991232 /nfs/dbraw/zinc/99/12/32/1055991232.db2.gz RVEAASICHMKRDU-BTDLBPIBSA-N -1 1 361.398 2.581 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001339639672 1056666304 /nfs/dbraw/zinc/66/63/04/1056666304.db2.gz RLNLMYGFIHMNDS-IINYFYTJSA-N -1 1 369.256 2.580 20 30 FFEDMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(C#N)cc2F)n[n-]1 ZINC001448629616 1058799633 /nfs/dbraw/zinc/79/96/33/1058799633.db2.gz JLHGAXYLZICUDA-AWEZNQCLSA-N -1 1 373.388 2.509 20 30 FFEDMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(C#N)cc2F)[n-]1 ZINC001448629616 1058799655 /nfs/dbraw/zinc/79/96/55/1058799655.db2.gz JLHGAXYLZICUDA-AWEZNQCLSA-N -1 1 373.388 2.509 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ccc(C#N)cc2F)n1 ZINC001448629616 1058799666 /nfs/dbraw/zinc/79/96/66/1058799666.db2.gz JLHGAXYLZICUDA-AWEZNQCLSA-N -1 1 373.388 2.509 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCO[C@](C)(CC)C1 ZINC001520478600 1059715713 /nfs/dbraw/zinc/71/57/13/1059715713.db2.gz DQLWJPGALGUROB-QGZVFWFLSA-N -1 1 363.849 2.890 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)[C@H]1CCSC1 ZINC001515916232 1059887739 /nfs/dbraw/zinc/88/77/39/1059887739.db2.gz WZAZDELXVAUPTO-ZDUSSCGKSA-N -1 1 372.498 2.836 20 30 FFEDMM C=CCn1c(CC(C)C)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848465948 1060075652 /nfs/dbraw/zinc/07/56/52/1060075652.db2.gz ITQHVPIKTNAIEL-CHWSQXEVSA-N -1 1 373.423 2.698 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2nn(C(C)(C)C)cc2C#N)c(=O)[n-]1 ZINC001361249325 1062127887 /nfs/dbraw/zinc/12/78/87/1062127887.db2.gz KAWBISQWFBJBQM-UHFFFAOYSA-N -1 1 374.470 2.607 20 30 FFEDMM N#CC[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001467638192 1063805294 /nfs/dbraw/zinc/80/52/94/1063805294.db2.gz GHUFCOMIHLGPEM-HNNXBMFYSA-N -1 1 367.371 2.601 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](NCc2ccc([O-])c(F)c2F)[C@@H](C#N)C1 ZINC001474424856 1065519337 /nfs/dbraw/zinc/51/93/37/1065519337.db2.gz RRGJUFRVERHKAI-RYUDHWBXSA-N -1 1 353.369 2.519 20 30 FFEDMM Clc1cccc(C#CCn2nnc(-c3ccccc3)c2-c2nn[n-]n2)c1 ZINC001581745470 1078995535 /nfs/dbraw/zinc/99/55/35/1078995535.db2.gz GBVMJDHUZXZUFX-UHFFFAOYSA-N -1 1 361.796 2.830 20 30 FFEDMM N#Cc1cc(Oc2ccc(NC(=O)c3coc(-c4nnn[n-]4)c3)cc2)ccn1 ZINC001581870802 1079011178 /nfs/dbraw/zinc/01/11/78/1079011178.db2.gz SYAINZKXTANODR-UHFFFAOYSA-N -1 1 373.332 2.771 20 30 FFEDMM N#Cc1cc(Oc2ccc(NC(=O)c3coc(-c4nn[n-]n4)c3)cc2)ccn1 ZINC001581870802 1079011188 /nfs/dbraw/zinc/01/11/88/1079011188.db2.gz SYAINZKXTANODR-UHFFFAOYSA-N -1 1 373.332 2.771 20 30 FFEDMM C#C[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC001557178487 1075818929 /nfs/dbraw/zinc/81/89/29/1075818929.db2.gz ONRDNCKZWLNPPR-LJQANCHMSA-N -1 1 372.428 2.976 20 30 FFEDMM N#Cc1cccc(CC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC001558968786 1076108718 /nfs/dbraw/zinc/10/87/18/1076108718.db2.gz FAGNVFQDOLMVPL-UHFFFAOYSA-N -1 1 353.769 2.884 20 30 FFEDMM N#Cc1cccc(CC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c1 ZINC001558968786 1076108719 /nfs/dbraw/zinc/10/87/19/1076108719.db2.gz FAGNVFQDOLMVPL-UHFFFAOYSA-N -1 1 353.769 2.884 20 30 FFEDMM C=CCn1cc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)nn1 ZINC001561675100 1076405767 /nfs/dbraw/zinc/40/57/67/1076405767.db2.gz BPVWKSGJZCSHGH-UHFFFAOYSA-N -1 1 361.254 2.558 20 30 FFEDMM C=C(CC(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001567228985 1077007531 /nfs/dbraw/zinc/00/75/31/1077007531.db2.gz CKNHMTKLLYODRJ-UHFFFAOYSA-N -1 1 352.456 2.718 20 30 FFEDMM C#C[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)c1ccc(Br)cc1 ZINC001588328863 1079986265 /nfs/dbraw/zinc/98/62/65/1079986265.db2.gz RZNLOGGBTWSWBX-GFCCVEGCSA-N -1 1 370.214 2.514 20 30 FFEDMM C#C[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)c1ccc(Br)cc1 ZINC001588328863 1079986270 /nfs/dbraw/zinc/98/62/70/1079986270.db2.gz RZNLOGGBTWSWBX-GFCCVEGCSA-N -1 1 370.214 2.514 20 30 FFEDMM C=C(C)Cn1c(-c2ccnc(-c3nnn[n-]3)c2)nnc1N(C)C[C@H](C)CC ZINC001588435828 1080026477 /nfs/dbraw/zinc/02/64/77/1080026477.db2.gz BXQKXBNYDKOHEI-CYBMUJFWSA-N -1 1 367.461 2.579 20 30 FFEDMM C=C(C)Cn1c(-c2ccnc(-c3nn[n-]n3)c2)nnc1N(C)C[C@H](C)CC ZINC001588435828 1080026486 /nfs/dbraw/zinc/02/64/86/1080026486.db2.gz BXQKXBNYDKOHEI-CYBMUJFWSA-N -1 1 367.461 2.579 20 30 FFEDMM C=C1CCC(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC001588462324 1080036843 /nfs/dbraw/zinc/03/68/43/1080036843.db2.gz LPOCGPLRFLSMCP-UHFFFAOYSA-N -1 1 367.388 2.876 20 30 FFEDMM C=CCC1(NS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588557632 1080095119 /nfs/dbraw/zinc/09/51/19/1080095119.db2.gz QPBHUVUABQQLMJ-UHFFFAOYSA-N -1 1 367.500 2.627 20 30 FFEDMM C=CCCC(=O)N[C@H](C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588571266 1080103078 /nfs/dbraw/zinc/10/30/78/1080103078.db2.gz IITYZVVFQYXXEH-RKDXNWHRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(CCC)CC1CC1 ZINC001588704524 1080162202 /nfs/dbraw/zinc/16/22/02/1080162202.db2.gz MIMCVFZTKFJKAD-UHFFFAOYSA-N -1 1 354.418 2.531 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(CCC)CC1CC1 ZINC001588704524 1080162208 /nfs/dbraw/zinc/16/22/08/1080162208.db2.gz MIMCVFZTKFJKAD-UHFFFAOYSA-N -1 1 354.418 2.531 20 30 FFEDMM C=C[C@H]1CCCCN1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001588719095 1080169273 /nfs/dbraw/zinc/16/92/73/1080169273.db2.gz LBAHREHYRKFJHX-MAUKXSAKSA-N -1 1 355.438 2.762 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccccc2Br)o1 ZINC001588781967 1080193383 /nfs/dbraw/zinc/19/33/83/1080193383.db2.gz OINCMLXLGQYDGA-UHFFFAOYSA-N -1 1 362.191 2.762 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C2CCC1(C(=O)[O-])CC2 ZINC001589331595 1080486117 /nfs/dbraw/zinc/48/61/17/1080486117.db2.gz JDTQHFSGWHOTKC-CDJWAVJASA-N -1 1 373.478 2.958 20 30 FFEDMM CC(C)c1ccc(O[C@@H](C)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001589879260 1080827468 /nfs/dbraw/zinc/82/74/68/1080827468.db2.gz IWNNQAJBPRCWEJ-LBPRGKRZSA-N -1 1 364.413 2.531 20 30 FFEDMM C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000331371811 258183496 /nfs/dbraw/zinc/18/34/96/258183496.db2.gz GPRUEFBSQZZEGF-GJZGRUSLSA-N -1 1 371.462 2.973 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000055631621 506806145 /nfs/dbraw/zinc/80/61/45/506806145.db2.gz PAXRWKFXJJITID-KRWDZBQOSA-N -1 1 358.419 2.917 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000055650838 506815250 /nfs/dbraw/zinc/81/52/50/506815250.db2.gz HPAFUTSQWQOTOX-UHFFFAOYSA-N -1 1 369.446 2.985 20 30 FFEDMM COc1cc(C#N)ccc1OCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000046812317 507200756 /nfs/dbraw/zinc/20/07/56/507200756.db2.gz UMBVNINBHCPOCA-UHFFFAOYSA-N -1 1 369.303 2.501 20 30 FFEDMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000090421737 507918863 /nfs/dbraw/zinc/91/88/63/507918863.db2.gz PYSFBTHRWWRKPJ-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM N#Cc1ccc(OCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000073445788 507922295 /nfs/dbraw/zinc/92/22/95/507922295.db2.gz SKPLWYGIRICFLW-UHFFFAOYSA-N -1 1 364.401 2.764 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000098092814 508233550 /nfs/dbraw/zinc/23/35/50/508233550.db2.gz QEDLWKYLHFPTNT-UHFFFAOYSA-N -1 1 358.419 2.571 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000106007308 508387794 /nfs/dbraw/zinc/38/77/94/508387794.db2.gz SZHFGUKCGUWPAX-ZDUSSCGKSA-N -1 1 372.446 2.727 20 30 FFEDMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000157278138 508546294 /nfs/dbraw/zinc/54/62/94/508546294.db2.gz PFIFTRSNZWDOSJ-UHFFFAOYSA-N -1 1 353.444 2.930 20 30 FFEDMM C=CCCOCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000155164489 508937407 /nfs/dbraw/zinc/93/74/07/508937407.db2.gz JOWZCPXWXXDEHU-UHFFFAOYSA-N -1 1 374.462 2.810 20 30 FFEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3cccc(C#N)c3)nc(=O)c2c1C ZINC000155445690 509002763 /nfs/dbraw/zinc/00/27/63/509002763.db2.gz LBFWGSVNSYUNPI-CYBMUJFWSA-N -1 1 363.402 2.719 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccccc1 ZINC000161904452 509163290 /nfs/dbraw/zinc/16/32/90/509163290.db2.gz XNPFWAWZJHOHTC-CYBMUJFWSA-N -1 1 366.464 2.916 20 30 FFEDMM CC[C@H](CC#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183912440 510035723 /nfs/dbraw/zinc/03/57/23/510035723.db2.gz KJRYRLLBYRPAGR-OAHLLOKOSA-N -1 1 357.435 2.909 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000172124135 510555347 /nfs/dbraw/zinc/55/53/47/510555347.db2.gz MNIPIDPAPXDGDI-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM N#Cc1ccc(N2CC[C@@H](Sc3nc(C4CC4)cc(=O)[n-]3)C2=O)cc1 ZINC000188137606 510613766 /nfs/dbraw/zinc/61/37/66/510613766.db2.gz ZEZKPZPXBCOVLC-OAHLLOKOSA-N -1 1 352.419 2.829 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1(C#N)CCCCC1 ZINC000263820524 510849525 /nfs/dbraw/zinc/84/95/25/510849525.db2.gz QOGOBWJRPHFZRC-UHFFFAOYSA-N -1 1 365.437 2.828 20 30 FFEDMM COC(=O)C1([N-]S(=O)(=O)CC2(C#N)CCCCC2)CCCCCC1 ZINC000332298644 511080467 /nfs/dbraw/zinc/08/04/67/511080467.db2.gz GZHRMCPZERAENF-UHFFFAOYSA-N -1 1 356.488 2.646 20 30 FFEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000281308846 511797689 /nfs/dbraw/zinc/79/76/89/511797689.db2.gz ZMHNTJSVPQTICY-HNNXBMFYSA-N -1 1 357.360 2.693 20 30 FFEDMM Cn1cc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c(C(F)(F)F)n1 ZINC000293309496 511918223 /nfs/dbraw/zinc/91/82/23/511918223.db2.gz BVFYAJYZABQBJD-LBPRGKRZSA-N -1 1 372.372 2.762 20 30 FFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1 ZINC000435145892 513522199 /nfs/dbraw/zinc/52/21/99/513522199.db2.gz UVWRQASOFNPSSJ-UHFFFAOYSA-N -1 1 374.418 2.933 20 30 FFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000435142054 513522335 /nfs/dbraw/zinc/52/23/35/513522335.db2.gz FCYJZGLXHOFCPX-UHFFFAOYSA-N -1 1 374.418 2.933 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)s1 ZINC000435478291 513601015 /nfs/dbraw/zinc/60/10/15/513601015.db2.gz SYJTWMFKJWNFGP-UHFFFAOYSA-N -1 1 356.812 2.845 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1[O-] ZINC000430463748 513659849 /nfs/dbraw/zinc/65/98/49/513659849.db2.gz BOINMOWLHNRCPS-FPOVZHCZSA-N -1 1 368.408 2.907 20 30 FFEDMM Cn1ccnc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1F ZINC000442898294 513807946 /nfs/dbraw/zinc/80/79/46/513807946.db2.gz KLASKASBCIEVAO-QGZVFWFLSA-N -1 1 350.353 2.656 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc(OC)c1C ZINC000431169819 513844606 /nfs/dbraw/zinc/84/46/06/513844606.db2.gz UNXLVPJGZFAVOZ-UHFFFAOYSA-N -1 1 350.371 2.824 20 30 FFEDMM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000416635928 513879092 /nfs/dbraw/zinc/87/90/92/513879092.db2.gz QVQHDDSKAOUSQD-CYBMUJFWSA-N -1 1 373.400 2.905 20 30 FFEDMM CC1(C#N)CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000436594647 513910015 /nfs/dbraw/zinc/91/00/15/513910015.db2.gz IBGLQYIKSVYZEE-UHFFFAOYSA-N -1 1 371.343 2.908 20 30 FFEDMM Cc1cn(C)nc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000420232060 514055945 /nfs/dbraw/zinc/05/59/45/514055945.db2.gz LDNINJAQAHADDW-NSHDSACASA-N -1 1 367.434 2.808 20 30 FFEDMM COc1cc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1C#N ZINC000427221919 514154027 /nfs/dbraw/zinc/15/40/27/514154027.db2.gz DFVURLXDTUPLKA-UHFFFAOYSA-N -1 1 354.410 2.598 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2 ZINC000475820300 514823779 /nfs/dbraw/zinc/82/37/79/514823779.db2.gz NZOJDGKMFCKGME-UHFFFAOYSA-N -1 1 359.432 2.598 20 30 FFEDMM N#Cc1cccc(OC2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)c1 ZINC000459349398 515490780 /nfs/dbraw/zinc/49/07/80/515490780.db2.gz ZYVYTQIMBQORSP-UHFFFAOYSA-N -1 1 350.422 2.975 20 30 FFEDMM C=C(C)COc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000469382545 515792991 /nfs/dbraw/zinc/79/29/91/515792991.db2.gz YNQJVXVSRVFMBX-UHFFFAOYSA-N -1 1 366.377 2.952 20 30 FFEDMM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000487219352 515804205 /nfs/dbraw/zinc/80/42/05/515804205.db2.gz XKJGHWQLJZTXQF-UHFFFAOYSA-N -1 1 368.784 2.872 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1C ZINC000506639979 515940118 /nfs/dbraw/zinc/94/01/18/515940118.db2.gz RGFMLAOQEMQZJC-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM C=CCNC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474482575 516063082 /nfs/dbraw/zinc/06/30/82/516063082.db2.gz MJILPVWRJZGZKK-UHFFFAOYSA-N -1 1 363.414 2.612 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnc[nH]2)c1 ZINC000470236075 516180153 /nfs/dbraw/zinc/18/01/53/516180153.db2.gz CWJKXOUFCNJJLH-UHFFFAOYSA-N -1 1 357.370 2.592 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 ZINC000543658795 516351834 /nfs/dbraw/zinc/35/18/34/516351834.db2.gz NPLMDGZLNJEYOC-UHFFFAOYSA-N -1 1 367.430 2.584 20 30 FFEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000514654143 516982284 /nfs/dbraw/zinc/98/22/84/516982284.db2.gz BKCRMQGQUAVHJI-ZJUUUORDSA-N -1 1 352.275 2.523 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc([C@@H]2CCCOC2)n[nH]1 ZINC000516698047 517812890 /nfs/dbraw/zinc/81/28/90/517812890.db2.gz GCECBFRXMXQUMX-SNVBAGLBSA-N -1 1 366.830 2.630 20 30 FFEDMM Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)n(-c2ccccc2)n1 ZINC000553868691 517943504 /nfs/dbraw/zinc/94/35/04/517943504.db2.gz AXVGIMZFXIEMDV-CQSZACIVSA-N -1 1 370.434 2.555 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)ccc1Cl ZINC000530905196 518044704 /nfs/dbraw/zinc/04/47/04/518044704.db2.gz BRXWLOHVHXATSZ-UHFFFAOYSA-N -1 1 373.825 2.652 20 30 FFEDMM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000563722709 518089008 /nfs/dbraw/zinc/08/90/08/518089008.db2.gz IFAYEMQPTCKSCM-HNNXBMFYSA-N -1 1 369.830 2.726 20 30 FFEDMM CC#CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000534999605 518114446 /nfs/dbraw/zinc/11/44/46/518114446.db2.gz SGANFGPUUBHSSK-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM N#Cc1ccc(C2=CCN(C(=O)c3csc(=NC4CC4)[n-]3)CC2)cc1 ZINC000567375394 518492506 /nfs/dbraw/zinc/49/25/06/518492506.db2.gz BOHQUUHMGGEZEZ-UHFFFAOYSA-N -1 1 350.447 2.940 20 30 FFEDMM COc1ccc(OC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000589170710 518938833 /nfs/dbraw/zinc/93/88/33/518938833.db2.gz YGCSBBUVNJFRRP-UHFFFAOYSA-N -1 1 352.390 2.956 20 30 FFEDMM C=CCc1ccccc1OC[C@@H](O)CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000582976036 519017311 /nfs/dbraw/zinc/01/73/11/519017311.db2.gz MOMUROQUMVUNKO-SFHVURJKSA-N -1 1 367.445 2.911 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000571306431 519030720 /nfs/dbraw/zinc/03/07/20/519030720.db2.gz BVSGGJCLFGGJOG-UHFFFAOYSA-N -1 1 370.434 2.630 20 30 FFEDMM CC(C)(C)OC(=O)CCN(C(=O)c1ccc(C#N)c([O-])c1)C1CCOCC1 ZINC000568766294 519204903 /nfs/dbraw/zinc/20/49/03/519204903.db2.gz GZTGSKYGAKJSLU-UHFFFAOYSA-N -1 1 374.437 2.617 20 30 FFEDMM C=CCOCCCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000568771612 519207753 /nfs/dbraw/zinc/20/77/53/519207753.db2.gz AAGQICFYMFSJJU-OAHLLOKOSA-N -1 1 354.244 2.853 20 30 FFEDMM C=CC[C@@H](CO)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000572295402 519542947 /nfs/dbraw/zinc/54/29/47/519542947.db2.gz IKILGHJHQHMLRZ-SNVBAGLBSA-N -1 1 365.227 2.617 20 30 FFEDMM CO[C@@](C)(CNC(=O)c1cc([O-])cc(C#N)c1)COCc1ccccc1 ZINC000597989415 520364585 /nfs/dbraw/zinc/36/45/85/520364585.db2.gz HXBMFFIGQDDDDI-FQEVSTJZSA-N -1 1 354.406 2.616 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(CC#N)C3)c2)c1 ZINC000598037282 520388235 /nfs/dbraw/zinc/38/82/35/520388235.db2.gz VDDFRDRPDOBPGM-UHFFFAOYSA-N -1 1 369.446 2.782 20 30 FFEDMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000595335753 520415336 /nfs/dbraw/zinc/41/53/36/520415336.db2.gz CNQYHBVVYUKRIO-HNNXBMFYSA-N -1 1 374.418 2.602 20 30 FFEDMM COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)CCC2 ZINC000598105241 520424785 /nfs/dbraw/zinc/42/47/85/520424785.db2.gz DDTLSVDOQUGXEU-MRXNPFEDSA-N -1 1 364.401 2.900 20 30 FFEDMM COc1cc(C#N)ccc1OCC(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000604532968 520591894 /nfs/dbraw/zinc/59/18/94/520591894.db2.gz JHGRWSGYAGMLFT-UHFFFAOYSA-N -1 1 368.418 2.766 20 30 FFEDMM Cc1nc(SC[C@@H](O)COc2ccc(CC#N)cc2)[n-]c(=O)c1C1CC1 ZINC000601087211 520630228 /nfs/dbraw/zinc/63/02/28/520630228.db2.gz DIXPJXHUIWPJAF-HNNXBMFYSA-N -1 1 371.462 2.966 20 30 FFEDMM N#Cc1cccc(CN2CCC(NC(=O)c3cccc(C(=O)[O-])c3)CC2)c1 ZINC000593232412 520845776 /nfs/dbraw/zinc/84/57/76/520845776.db2.gz NNFAJACWWFRDSZ-UHFFFAOYSA-N -1 1 363.417 2.651 20 30 FFEDMM C[C@H]1CCc2sc([N-]C(=O)c3nc4ncccn4n3)c(C#N)c2[C@H]1C ZINC000598842341 520871634 /nfs/dbraw/zinc/87/16/34/520871634.db2.gz BJDMFZIGPIYVAN-UWVGGRQHSA-N -1 1 352.423 2.996 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccnc2OCC(F)(F)F)c1 ZINC000614295378 520895489 /nfs/dbraw/zinc/89/54/89/520895489.db2.gz OSRSHCMADGKFJB-UHFFFAOYSA-N -1 1 351.284 2.530 20 30 FFEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000611464739 521171880 /nfs/dbraw/zinc/17/18/80/521171880.db2.gz WWFYBMPDIXRGLF-CQSZACIVSA-N -1 1 355.360 2.717 20 30 FFEDMM C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)n1 ZINC000593828101 521235174 /nfs/dbraw/zinc/23/51/74/521235174.db2.gz JVMIHISUTPMZPD-WBMJQRKESA-N -1 1 366.421 2.865 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(c3cncc4ccccc43)CC2)c1 ZINC000619445461 521572491 /nfs/dbraw/zinc/57/24/91/521572491.db2.gz VOXJJNDZWVYRFI-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM CCO[C@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C12CCC2 ZINC000736618524 599033011 /nfs/dbraw/zinc/03/30/11/599033011.db2.gz UMQGWLFVBXBHJC-NSHDSACASA-N -1 1 359.434 2.899 20 30 FFEDMM N#CCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000737695095 599201104 /nfs/dbraw/zinc/20/11/04/599201104.db2.gz JSZHJQQDIUKBKF-UHFFFAOYSA-N -1 1 354.757 2.566 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735402617 598451035 /nfs/dbraw/zinc/45/10/35/598451035.db2.gz ZIUXQNCKECPURK-UHFFFAOYSA-N -1 1 371.422 2.622 20 30 FFEDMM S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823738017 599333746 /nfs/dbraw/zinc/33/37/46/599333746.db2.gz NBNFXARECSWPMH-UHFFFAOYSA-N -1 1 372.801 2.543 20 30 FFEDMM S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823738017 599333749 /nfs/dbraw/zinc/33/37/49/599333749.db2.gz NBNFXARECSWPMH-UHFFFAOYSA-N -1 1 372.801 2.543 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2[C@@H]3CCCO[C@@H]3C2(C)C)o1 ZINC000820107887 599336023 /nfs/dbraw/zinc/33/60/23/599336023.db2.gz DAUFGHUESYBEKB-HZMBPMFUSA-N -1 1 359.434 2.656 20 30 FFEDMM N#Cc1cccc(NC(=O)C2CCN(Cc3cc(C(=O)[O-])co3)CC2)c1 ZINC000739134044 599850844 /nfs/dbraw/zinc/85/08/44/599850844.db2.gz TVHOOTJSOWLVJD-UHFFFAOYSA-N -1 1 353.378 2.700 20 30 FFEDMM N#C[C@H](c1ccc(F)cc1)N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833065131 601139755 /nfs/dbraw/zinc/13/97/55/601139755.db2.gz SPBRFFGMZOIOHV-MOPGFXCFSA-N -1 1 353.397 2.834 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c(F)c1 ZINC000833069800 601856923 /nfs/dbraw/zinc/85/69/23/601856923.db2.gz REVUSCLLWXGYMA-UHFFFAOYSA-N -1 1 374.271 2.614 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN(C)C2CCN(C(=O)[O-])CC2)cc1C ZINC000830340125 604171271 /nfs/dbraw/zinc/17/12/71/604171271.db2.gz JMIJEVMOXJOKLH-UHFFFAOYSA-N -1 1 372.469 2.624 20 30 FFEDMM CS(=O)(=O)c1ccccc1N=NCc1cccc2c1N(C(=O)[O-])CCC2 ZINC000829699345 604827492 /nfs/dbraw/zinc/82/74/92/604827492.db2.gz KATASOJJXIJHRD-UHFFFAOYSA-N -1 1 373.434 2.967 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000829890107 604881356 /nfs/dbraw/zinc/88/13/56/604881356.db2.gz LCLITPJEGZEBME-SNVBAGLBSA-N -1 1 362.338 2.647 20 30 FFEDMM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000833404988 605039752 /nfs/dbraw/zinc/03/97/52/605039752.db2.gz ALUOFKYTOHYPBZ-JTQLQIEISA-N -1 1 371.365 2.576 20 30 FFEDMM N#Cc1c(F)cccc1N1CCN(Cc2ccccc2CC(=O)[O-])CC1 ZINC000833760903 605064078 /nfs/dbraw/zinc/06/40/78/605064078.db2.gz IXDNCQNGASCVCG-UHFFFAOYSA-N -1 1 353.397 2.647 20 30 FFEDMM CC(C)(CC(=O)[O-])CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000833452781 605304581 /nfs/dbraw/zinc/30/45/81/605304581.db2.gz TWSDDBKCHTWFNB-UHFFFAOYSA-N -1 1 357.454 2.552 20 30 FFEDMM N#C[C@@H](COC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1ccc(F)cc1 ZINC000822802338 606177599 /nfs/dbraw/zinc/17/75/99/606177599.db2.gz ZIFADCVBSKLNEM-NSHDSACASA-N -1 1 357.370 2.607 20 30 FFEDMM N#C[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1ccc(F)cc1 ZINC000822802338 606177600 /nfs/dbraw/zinc/17/76/00/606177600.db2.gz ZIFADCVBSKLNEM-NSHDSACASA-N -1 1 357.370 2.607 20 30 FFEDMM CCCN1C(=O)C(=NN=Cc2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000821109903 606368531 /nfs/dbraw/zinc/36/85/31/606368531.db2.gz RTKWAERYZMOTCS-UHFFFAOYSA-N -1 1 365.422 2.508 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000822923229 606389899 /nfs/dbraw/zinc/38/98/99/606389899.db2.gz OREKAKHLRMGEQL-VQHVLOKHSA-N -1 1 365.418 2.951 20 30 FFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC000821850221 606836135 /nfs/dbraw/zinc/83/61/35/606836135.db2.gz ZQKIGVVDKZUZTO-CSKARUKUSA-N -1 1 354.391 2.986 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000823961979 608053795 /nfs/dbraw/zinc/05/37/95/608053795.db2.gz CLIXOBOITJBAJN-VIFPVBQESA-N -1 1 370.373 2.738 20 30 FFEDMM N#Cc1ccc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)nn1 ZINC000826385334 608421444 /nfs/dbraw/zinc/42/14/44/608421444.db2.gz HSNFRNFGHKBXCG-UHFFFAOYSA-N -1 1 360.406 2.869 20 30 FFEDMM N#Cc1ccc(-c2cccc(CNc3ccc(-c4nnn[n-]4)nn3)c2)s1 ZINC000826384399 608421877 /nfs/dbraw/zinc/42/18/77/608421877.db2.gz TYNWFLUWQOHTEI-UHFFFAOYSA-N -1 1 360.406 2.869 20 30 FFEDMM N#Cc1ccc(-c2cccc(CNc3ccc(-c4nn[n-]n4)nn3)c2)s1 ZINC000826384399 608421878 /nfs/dbraw/zinc/42/18/78/608421878.db2.gz TYNWFLUWQOHTEI-UHFFFAOYSA-N -1 1 360.406 2.869 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1c(C)nn(C(C)C)c1C ZINC000746489831 735487808 /nfs/dbraw/zinc/48/78/08/735487808.db2.gz JOISLBRRVSTNPE-UHFFFAOYSA-N -1 1 359.455 2.544 20 30 FFEDMM N#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000125514568 728684563 /nfs/dbraw/zinc/68/45/63/728684563.db2.gz AEGLVZAVRUOFSR-UHFFFAOYSA-N -1 1 367.789 2.533 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(F)cc2Br)c(=O)o1 ZINC000129889411 728713906 /nfs/dbraw/zinc/71/39/06/728713906.db2.gz VAFIGWXGEDTNHJ-LYKUJDHUSA-N -1 1 353.143 2.816 20 30 FFEDMM Cc1ccc(Br)c(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c1 ZINC000901773480 735837114 /nfs/dbraw/zinc/83/71/14/735837114.db2.gz VICZRYARFYPSTQ-SNVBAGLBSA-N -1 1 371.178 2.880 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000185370472 729348309 /nfs/dbraw/zinc/34/83/09/729348309.db2.gz MLHQDMARBROQLE-OAHLLOKOSA-N -1 1 356.447 2.856 20 30 FFEDMM C#CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000191105131 729414376 /nfs/dbraw/zinc/41/43/76/729414376.db2.gz GOZXADRLXIXQRP-UHFFFAOYSA-N -1 1 360.410 2.640 20 30 FFEDMM C#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000191152246 729414775 /nfs/dbraw/zinc/41/47/75/729414775.db2.gz GZMLIKFOIZJTSB-UHFFFAOYSA-N -1 1 356.447 2.809 20 30 FFEDMM COC1CC(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000860452344 730513707 /nfs/dbraw/zinc/51/37/07/730513707.db2.gz WTFJASJCLXDVCJ-RTYFJBAXSA-N -1 1 357.435 2.877 20 30 FFEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@@H](O)CC2(C#N)CC2)c1 ZINC000863558964 730790525 /nfs/dbraw/zinc/79/05/25/730790525.db2.gz CEAXKQBWRXGZJF-AWEZNQCLSA-N -1 1 355.360 2.640 20 30 FFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000870692151 731545446 /nfs/dbraw/zinc/54/54/46/731545446.db2.gz XOYPYQPFAOCXRK-SNVBAGLBSA-N -1 1 350.300 2.515 20 30 FFEDMM C=C(CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000875582670 732171049 /nfs/dbraw/zinc/17/10/49/732171049.db2.gz RVBKFXCPZRSADC-MRXNPFEDSA-N -1 1 355.360 2.552 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882276196 733201957 /nfs/dbraw/zinc/20/19/57/733201957.db2.gz DLBXCMPPINRVGL-WPRPVWTQSA-N -1 1 370.780 2.623 20 30 FFEDMM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)o1 ZINC000732901637 734773833 /nfs/dbraw/zinc/77/38/33/734773833.db2.gz XVPVGKYYQBUKDV-LLVKDONJSA-N -1 1 358.375 2.734 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCc3cc(F)ccc32)cc1 ZINC000734296714 734887885 /nfs/dbraw/zinc/88/78/85/734887885.db2.gz XJTYQNCCZATGLA-UHFFFAOYSA-N -1 1 363.370 2.504 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1 ZINC000740810848 735089046 /nfs/dbraw/zinc/08/90/46/735089046.db2.gz CISHXKCURWUABC-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM C=C[C@](C)(O)Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000896223481 735121302 /nfs/dbraw/zinc/12/13/02/735121302.db2.gz GCAYFDOGIHSSFV-AWEZNQCLSA-N -1 1 355.188 2.693 20 30 FFEDMM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000747604171 735572674 /nfs/dbraw/zinc/57/26/74/735572674.db2.gz DJDUHGFXVWUXJF-IZZDOVSWSA-N -1 1 356.403 2.740 20 30 FFEDMM CCCOc1cccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000748254208 735630650 /nfs/dbraw/zinc/63/06/50/735630650.db2.gz WWEDLKDHRQIXEH-UHFFFAOYSA-N -1 1 363.395 2.696 20 30 FFEDMM CCCCO[C@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000748254578 735630713 /nfs/dbraw/zinc/63/07/13/735630713.db2.gz CATDDWBFJWBVAH-HNNXBMFYSA-N -1 1 369.443 2.844 20 30 FFEDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1 ZINC000751031737 735839792 /nfs/dbraw/zinc/83/97/92/735839792.db2.gz FKGGKRNDYMYYCC-JTQLQIEISA-N -1 1 351.409 2.876 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC1(F)F ZINC000904178382 736230689 /nfs/dbraw/zinc/23/06/89/736230689.db2.gz HSMQDCSVOUNEMP-OAHLLOKOSA-N -1 1 360.332 2.846 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C/C=C\c1ccc(F)cc1F ZINC000758125385 736454264 /nfs/dbraw/zinc/45/42/64/736454264.db2.gz WJLPFTZPIRRZCP-BCZIFPQJSA-N -1 1 367.333 2.851 20 30 FFEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480167 736634472 /nfs/dbraw/zinc/63/44/72/736634472.db2.gz LTUNJJWRTKQNFY-LBPRGKRZSA-N -1 1 370.463 2.525 20 30 FFEDMM O=C([O-])c1ccc2c(C=NNc3ccnc(Br)c3)n[nH]c2c1 ZINC000769801335 737568297 /nfs/dbraw/zinc/56/82/97/737568297.db2.gz APGFMTCTFKPROK-UHFFFAOYSA-N -1 1 360.171 2.865 20 30 FFEDMM COc1c([O-])c(C=NNC(=S)N[C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000773028403 737864622 /nfs/dbraw/zinc/86/46/22/737864622.db2.gz PPKQAEJVHMQCOL-CMPLNLGQSA-N -1 1 366.443 2.686 20 30 FFEDMM C=CC[C@@H](CO)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000775563658 738102009 /nfs/dbraw/zinc/10/20/09/738102009.db2.gz GQVUTHYMNJBUHZ-GFCCVEGCSA-N -1 1 350.415 2.654 20 30 FFEDMM Cc1ccc(C(=O)[N-]n2c(C)c(Br)c(C)c(C#N)c2=O)s1 ZINC000791173296 739535200 /nfs/dbraw/zinc/53/52/00/739535200.db2.gz PXUZSHFBVQZUQF-UHFFFAOYSA-N -1 1 366.240 2.853 20 30 FFEDMM Cc1c(Br)c(C)n([N-]C(=O)c2cccs2)c(=O)c1C#N ZINC000791173836 739535224 /nfs/dbraw/zinc/53/52/24/739535224.db2.gz XPPLBXKSGVWXJB-UHFFFAOYSA-N -1 1 352.213 2.545 20 30 FFEDMM N#CC1(CNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CC1 ZINC000797780121 740272377 /nfs/dbraw/zinc/27/23/77/740272377.db2.gz HQDAKACPFMSVER-UHFFFAOYSA-N -1 1 357.288 2.537 20 30 FFEDMM CCC(CC)(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000804997153 740924091 /nfs/dbraw/zinc/92/40/91/740924091.db2.gz IUMNYZZWJALZCR-UHFFFAOYSA-N -1 1 371.459 2.513 20 30 FFEDMM C#C[C@@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(C)(C)C ZINC000808314913 741211203 /nfs/dbraw/zinc/21/12/03/741211203.db2.gz MDQOAWYIXBHAFO-RVMXOQNASA-N -1 1 361.408 2.521 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825884 741349424 /nfs/dbraw/zinc/34/94/24/741349424.db2.gz PKKRXTDSKRZHNZ-UHFFFAOYSA-N -1 1 351.211 2.983 20 30 FFEDMM CN(C)S(=O)(=O)c1ccccc1NN=Cc1cccc([O-])c1Cl ZINC000814939276 741875797 /nfs/dbraw/zinc/87/57/97/741875797.db2.gz KYJHIYIMZGBJQR-UHFFFAOYSA-N -1 1 353.831 2.742 20 30 FFEDMM CCn1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000815908831 741972132 /nfs/dbraw/zinc/97/21/32/741972132.db2.gz KGMWAVCZSLXWRX-JTQLQIEISA-N -1 1 366.208 2.874 20 30 FFEDMM CC(C)(C)OC(=O)NCCCCCC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000828066841 745024014 /nfs/dbraw/zinc/02/40/14/745024014.db2.gz XMDQBKHFOXUYPK-UHFFFAOYSA-N -1 1 371.459 2.515 20 30 FFEDMM C=C(C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000832130490 745641622 /nfs/dbraw/zinc/64/16/22/745641622.db2.gz YTUZDRTVDZGUDH-UHFFFAOYSA-N -1 1 367.196 2.741 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832245469 745663359 /nfs/dbraw/zinc/66/33/59/745663359.db2.gz QRBUKCCIOVPZPA-SCZZXKLOSA-N -1 1 367.210 2.523 20 30 FFEDMM CSCC1CCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000834948293 745927041 /nfs/dbraw/zinc/92/70/41/745927041.db2.gz ARHOLBGOTRDOIR-UHFFFAOYSA-N -1 1 371.484 2.923 20 30 FFEDMM C=CC[C@@]1(C(=O)Nc2c(C)[n-][nH]c2=O)CCCN1C(=O)OC(C)(C)C ZINC000854635712 750342696 /nfs/dbraw/zinc/34/26/96/750342696.db2.gz VWALXLCLZSYVIW-KRWDZBQOSA-N -1 1 350.419 2.708 20 30 FFEDMM C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573299708 947100383 /nfs/dbraw/zinc/10/03/83/947100383.db2.gz GSNHAXYHJYNOFF-VHSXEESVSA-N -1 1 363.491 2.539 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)CCc1ccc(C(F)(F)F)nc1 ZINC001176856917 1013796031 /nfs/dbraw/zinc/79/60/31/1013796031.db2.gz ZCLISFISCSMNLM-UHFFFAOYSA-N -1 1 352.316 2.859 20 30 FFEDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ncccc3C#N)CC2)c1[O-] ZINC000176996505 968544134 /nfs/dbraw/zinc/54/41/34/968544134.db2.gz RQXHUSKFRZDMBO-UHFFFAOYSA-N -1 1 370.840 2.837 20 30 FFEDMM Cc1c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cnn1CCC#N ZINC000895562213 970744114 /nfs/dbraw/zinc/74/41/14/970744114.db2.gz LMEHHIUFGCEIPC-UHFFFAOYSA-N -1 1 366.421 2.546 20 30 FFEDMM N#CC(=C([O-])c1ccc(F)c(F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393166 975093685 /nfs/dbraw/zinc/09/36/85/975093685.db2.gz AWBIJYYVBXADQK-LBPRGKRZSA-N -1 1 366.331 2.966 20 30 FFEDMM C[C@](CC(=O)[O-])(NCC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 ZINC001592320936 977719454 /nfs/dbraw/zinc/71/94/54/977719454.db2.gz JJBVYUOSPLEIJO-LJQANCHMSA-N -1 1 355.369 2.616 20 30 FFEDMM C#CCN1CC2(CCC1=O)CCN(C(=O)c1ccc([O-])cc1Cl)CC2 ZINC001271915666 979270096 /nfs/dbraw/zinc/27/00/96/979270096.db2.gz SFGSGZIIXMBKMH-UHFFFAOYSA-N -1 1 360.841 2.524 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908914054 981566123 /nfs/dbraw/zinc/56/61/23/981566123.db2.gz UKWSDPJXQKJCQJ-CRAIPNDOSA-N -1 1 359.470 2.542 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908914054 981566125 /nfs/dbraw/zinc/56/61/25/981566125.db2.gz UKWSDPJXQKJCQJ-CRAIPNDOSA-N -1 1 359.470 2.542 20 30 FFEDMM C=C(C)C[C@@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000910285454 981886617 /nfs/dbraw/zinc/88/66/17/981886617.db2.gz AFWFFMGEEFGASY-QFBILLFUSA-N -1 1 358.482 2.865 20 30 FFEDMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000809630070 994561059 /nfs/dbraw/zinc/56/10/59/994561059.db2.gz KPCSSIJSTYWSQK-OAHLLOKOSA-N -1 1 359.426 2.783 20 30 FFEDMM C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593286486 994646438 /nfs/dbraw/zinc/64/64/38/994646438.db2.gz UGFQHMUQTGSNHV-BBRMVZONSA-N -1 1 353.378 2.888 20 30 FFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)c1ccc(N2CCOCC2)cc1 ZINC000824642103 997024728 /nfs/dbraw/zinc/02/47/28/997024728.db2.gz FDEQTWGVJRDCIA-UHFFFAOYSA-N -1 1 351.406 2.767 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2nccc3ccccc32)cc1 ZINC000740762102 999681325 /nfs/dbraw/zinc/68/13/25/999681325.db2.gz ZQVPSINXMLAZIL-UHFFFAOYSA-N -1 1 370.390 2.597 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)=O)cs2)cc1OC ZINC000741111454 999708427 /nfs/dbraw/zinc/70/84/27/999708427.db2.gz OQXOQZUJHRFDPS-ZDUSSCGKSA-N -1 1 372.402 2.929 20 30 FFEDMM C[C@@H](CN1CCN(c2ccccc2)CC1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000741466299 999728566 /nfs/dbraw/zinc/72/85/66/999728566.db2.gz LUCCSVDBLGTABL-AKGOGDBKSA-N -1 1 368.437 2.930 20 30 FFEDMM CC#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@H](C)O)cc2)cc1 ZINC000744457362 999858199 /nfs/dbraw/zinc/85/81/99/999858199.db2.gz OYRGSKIZTXIKJL-AWEZNQCLSA-N -1 1 373.430 2.721 20 30 FFEDMM CC(C)(C)OC(=O)NCC1(CCNC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000846452586 1000307484 /nfs/dbraw/zinc/30/74/84/1000307484.db2.gz ALMYAZHTCHZGGD-UHFFFAOYSA-N -1 1 359.426 2.689 20 30 FFEDMM Cc1cc(C)c2c(c1)C(N=Nc1nc3c(cnn3C)c(=O)[n-]1)CCCO2 ZINC000769819281 1000599818 /nfs/dbraw/zinc/59/98/18/1000599818.db2.gz PAEOWAMARCCWRX-UHFFFAOYSA-N -1 1 352.398 2.675 20 30 FFEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1[C@@H]3CCCO[C@H]3C1(C)C)nc2=O ZINC000769811739 1000610064 /nfs/dbraw/zinc/61/00/64/1000610064.db2.gz DBIUHCDAAPBBKE-GXFFZTMASA-N -1 1 358.446 2.890 20 30 FFEDMM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3csnn3)c(C#N)c21 ZINC001146811644 1000759593 /nfs/dbraw/zinc/75/95/93/1000759593.db2.gz ZVKLDKXAUVCFNZ-QMMMGPOBSA-N -1 1 362.436 2.707 20 30 FFEDMM C=CCNC(=O)Cc1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000770986712 1000973499 /nfs/dbraw/zinc/97/34/99/1000973499.db2.gz NEUIGMRXOJTOHD-UHFFFAOYSA-N -1 1 374.397 2.634 20 30 FFEDMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000785636687 1001465412 /nfs/dbraw/zinc/46/54/12/1001465412.db2.gz ZKOBZMXYRRDHIZ-BETUJISGSA-N -1 1 359.426 2.734 20 30 FFEDMM CC(C)[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC000785637652 1001465425 /nfs/dbraw/zinc/46/54/25/1001465425.db2.gz KGQYGCQWKSJSAE-MRXNPFEDSA-N -1 1 373.453 2.981 20 30 FFEDMM CC[C@H](C)C(=O)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001184317038 1002557249 /nfs/dbraw/zinc/55/72/49/1002557249.db2.gz QFVITPWWNNIZIV-NTOSSWPYSA-N -1 1 358.423 2.775 20 30 FFEDMM CC(=O)[C@@H](C)CC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001184334852 1002572988 /nfs/dbraw/zinc/57/29/88/1002572988.db2.gz OMZADICAYWQRLL-NTOSSWPYSA-N -1 1 358.423 2.775 20 30 FFEDMM C=CCOc1ccc(/C=C/C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1OC ZINC000791287730 1002649508 /nfs/dbraw/zinc/64/95/08/1002649508.db2.gz WORVHRZPSRXXKL-XGOLVHHNSA-N -1 1 364.405 2.567 20 30 FFEDMM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C(C)=O)ccn2)c(C)c1[O-] ZINC001184854469 1002725650 /nfs/dbraw/zinc/72/56/50/1002725650.db2.gz VTEWGBMYWHCPFU-UHFFFAOYSA-N -1 1 367.361 2.599 20 30 FFEDMM CC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186737861 1003401453 /nfs/dbraw/zinc/40/14/53/1003401453.db2.gz UASGUZGISRMBLZ-LLVKDONJSA-N -1 1 353.188 2.698 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(F)c(F)cc2Br)CCCC1 ZINC001186736742 1003402255 /nfs/dbraw/zinc/40/22/55/1003402255.db2.gz JBIZLMMBVSCCHF-UHFFFAOYSA-N -1 1 365.199 2.842 20 30 FFEDMM C=CCN1CCN(C(=O)c2ccccc2C(=O)c2ccc([O-])cc2)CC1 ZINC001191495686 1003847931 /nfs/dbraw/zinc/84/79/31/1003847931.db2.gz DHHWMLKTOFIZDE-UHFFFAOYSA-N -1 1 350.418 2.567 20 30 FFEDMM Cc1ccc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)COC2)cc1 ZINC001196701920 1003919033 /nfs/dbraw/zinc/91/90/33/1003919033.db2.gz NQBMWCUTOYQKJJ-UHFFFAOYSA-N -1 1 362.838 2.724 20 30 FFEDMM COc1nc(C(F)(F)F)c(C(=O)N([O-])C(=N)c2ccccc2N)s1 ZINC001196840213 1003976615 /nfs/dbraw/zinc/97/66/15/1003976615.db2.gz MBJPJIDKNDYCNE-UHFFFAOYSA-N -1 1 360.317 2.610 20 30 FFEDMM N#Cc1cc(F)cc(F)c1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192141831 1004079145 /nfs/dbraw/zinc/07/91/45/1004079145.db2.gz IIFHCDJWFRLKOV-UHFFFAOYSA-N -1 1 366.345 2.654 20 30 FFEDMM COc1cc(C#N)cc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)c1 ZINC001192273369 1004113557 /nfs/dbraw/zinc/11/35/57/1004113557.db2.gz NMNKZVCJOIPWMQ-UHFFFAOYSA-N -1 1 370.390 2.726 20 30 FFEDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)n1 ZINC001197386690 1004187208 /nfs/dbraw/zinc/18/72/08/1004187208.db2.gz LGWMFSLFPXHVAE-UHFFFAOYSA-N -1 1 350.334 2.970 20 30 FFEDMM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001192762976 1004262991 /nfs/dbraw/zinc/26/29/91/1004262991.db2.gz ZTPJOAQUORKXRL-MRXNPFEDSA-N -1 1 353.378 2.560 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)C(=O)OC ZINC001197765382 1004337149 /nfs/dbraw/zinc/33/71/49/1004337149.db2.gz FZGKIJLSNOUNEM-LLVKDONJSA-N -1 1 352.239 2.531 20 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/nfs/dbraw/zinc/19/98/59/1005199859.db2.gz ZACFVMWPIUZSDT-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM COC(=O)[C@H]1Cc2cccc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)c2C1 ZINC001201323399 1005199904 /nfs/dbraw/zinc/19/99/04/1005199904.db2.gz CISZXGOIJPGBJV-AWEZNQCLSA-N -1 1 370.430 2.555 20 30 FFEDMM C[C@@H]1CCN(c2nc3ccccc3cc2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853989621 1006618521 /nfs/dbraw/zinc/61/85/21/1006618521.db2.gz PUWFMDRQCDJJGU-ABAIWWIYSA-N -1 1 362.355 3.000 20 30 FFEDMM C#Cc1ccc(C(=O)N(C(=S)[N-]C(=O)OC)c2ccccc2N)cc1 ZINC001188734942 1006706974 /nfs/dbraw/zinc/70/69/74/1006706974.db2.gz MFQLBEANAWMBKF-UHFFFAOYSA-N -1 1 353.403 2.538 20 30 FFEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(C)c1 ZINC001116196339 1032186008 /nfs/dbraw/zinc/18/60/08/1032186008.db2.gz XZUIIUPEFQIIBG-UHFFFAOYSA-N -1 1 357.435 2.612 20 30 FFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000855335999 1007287707 /nfs/dbraw/zinc/28/77/07/1007287707.db2.gz GOJCFMKWRMSHGP-UHFFFAOYSA-N -1 1 371.466 2.510 20 30 FFEDMM CC(C)(C)c1cc(C(=O)n2nc(N)c(C#N)c2N)c([O-])c(C(C)(C)C)c1 ZINC001190958586 1007850318 /nfs/dbraw/zinc/85/03/18/1007850318.db2.gz XVQZHTSIQUJOGG-UHFFFAOYSA-N -1 1 355.442 2.908 20 30 FFEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1F ZINC001190973178 1007856863 /nfs/dbraw/zinc/85/68/63/1007856863.db2.gz WIMYLJWNRYNYFO-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM O=C(Cc1ccc[nH]1)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001177866022 1008758076 /nfs/dbraw/zinc/75/80/76/1008758076.db2.gz QUGUVNLGYBIMLU-VXLYETTFSA-N -1 1 353.407 2.731 20 30 FFEDMM CCC(C#N)(CC)C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000860759895 1009141596 /nfs/dbraw/zinc/14/15/96/1009141596.db2.gz RUABJMGLSOKIQZ-UHFFFAOYSA-N -1 1 354.410 2.968 20 30 FFEDMM CC(=NN[C@@H]1CCCOC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863108975 1010107829 /nfs/dbraw/zinc/10/78/29/1010107829.db2.gz WKHAHMXMGVOLNJ-GOSISDBHSA-N -1 1 373.478 2.980 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)CSc2ccc(C#N)cc2)[n-]c1=O ZINC000889791490 1010123486 /nfs/dbraw/zinc/12/34/86/1010123486.db2.gz HUBJZWUURRJULG-AWEZNQCLSA-N -1 1 370.434 2.518 20 30 FFEDMM COc1cccc([C@@H](O)C2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000863738619 1010312218 /nfs/dbraw/zinc/31/22/18/1010312218.db2.gz CNJLVHLSUHZNOM-FQEVSTJZSA-N -1 1 366.417 2.858 20 30 FFEDMM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccc(O)c([O-])c2Cl)C1=O ZINC001274707191 1011606200 /nfs/dbraw/zinc/60/62/00/1011606200.db2.gz ZSEBCMNXWZSTIX-SFHVURJKSA-N -1 1 364.829 2.534 20 30 FFEDMM C=C(C)CN1CC[C@@]2(CCCN(C(=O)c3ccc(F)c([O-])c3)CC2)C1=O ZINC001274819128 1011681402 /nfs/dbraw/zinc/68/14/02/1011681402.db2.gz ZKHIUVQBQRRVBV-FQEVSTJZSA-N -1 1 360.429 2.952 20 30 FFEDMM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1nc(C)ccc1[O-])CC2 ZINC001275033125 1011836777 /nfs/dbraw/zinc/83/67/77/1011836777.db2.gz LGDAAOAMGFUMCA-UHFFFAOYSA-N -1 1 357.454 2.517 20 30 FFEDMM CN1CCN(c2ccc(/C=C3/CCc4occ(C(=O)[O-])c4C3=O)cc2)CC1 ZINC000901513702 1019165293 /nfs/dbraw/zinc/16/52/93/1019165293.db2.gz BJASSYTXHBKXRD-QINSGFPZSA-N -1 1 366.417 2.942 20 30 FFEDMM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc21 ZINC000901977947 1019678551 /nfs/dbraw/zinc/67/85/51/1019678551.db2.gz RAVUFTKCAZBZQM-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749612730 1021013771 /nfs/dbraw/zinc/01/37/71/1021013771.db2.gz RLBQIBUCEOBZJM-UHFFFAOYSA-N -1 1 352.354 2.932 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)c1C#N ZINC000749756329 1021028179 /nfs/dbraw/zinc/02/81/79/1021028179.db2.gz VQLFUXDJDWOLGG-UHFFFAOYSA-N -1 1 373.409 2.933 20 30 FFEDMM Cc1ccc2[nH]c3c(c2c1)CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)CC3 ZINC000778542259 1022085466 /nfs/dbraw/zinc/08/54/66/1022085466.db2.gz QXEWQTMIJGQPEM-UHFFFAOYSA-N -1 1 361.409 2.815 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc3c2CCOC3)n1 ZINC001122579697 1023348729 /nfs/dbraw/zinc/34/87/29/1023348729.db2.gz YQQNAZUTGMEQCJ-CQSZACIVSA-N -1 1 356.403 2.883 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1coc(-c2ccccc2)n1 ZINC000755758868 1023633632 /nfs/dbraw/zinc/63/36/32/1023633632.db2.gz BRYLQAXXYKPGFB-UHFFFAOYSA-N -1 1 372.362 2.562 20 30 FFEDMM COC(=O)[C@H](C)Oc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000758433778 1024113252 /nfs/dbraw/zinc/11/32/52/1024113252.db2.gz JJCMLVUNDNKIOU-LHXVZLOVSA-N -1 1 370.357 2.927 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1 ZINC000795361400 1025702414 /nfs/dbraw/zinc/70/24/14/1025702414.db2.gz NDUHHBOEDPTLER-UXBLZVDNSA-N -1 1 371.418 2.587 20 30 FFEDMM CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC(=O)CC ZINC000840715217 1027227471 /nfs/dbraw/zinc/22/74/71/1027227471.db2.gz NGQLKYKKKDZNIO-QJSCKGPTSA-N -1 1 372.373 2.629 20 30 FFEDMM N#Cc1cccc(OC2CCN(CC(=O)[N-]OCc3ccccc3)CC2)c1 ZINC000093172188 1027625849 /nfs/dbraw/zinc/62/58/49/1027625849.db2.gz HYLUXBIAFRRCAW-UHFFFAOYSA-N -1 1 365.433 2.649 20 30 FFEDMM C#CCN(CC(=O)NCc1ccc([O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC001154105565 1028147469 /nfs/dbraw/zinc/14/74/69/1028147469.db2.gz HKJXPSIPKJJOCI-UHFFFAOYSA-N -1 1 352.818 2.532 20 30 FFEDMM O=C(Cc1cscn1)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001142029817 1029905206 /nfs/dbraw/zinc/90/52/06/1029905206.db2.gz IGMWKDSKBNIYCO-REZTVBANSA-N -1 1 371.447 2.859 20 30 FFEDMM Cc1ccc2cc(C=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2n1 ZINC000783521291 1030135385 /nfs/dbraw/zinc/13/53/85/1030135385.db2.gz PXSRTKMKRIDVAC-UHFFFAOYSA-N -1 1 370.390 2.764 20 30 FFEDMM N#CCCN1CCC[C@]2(CCN(Cc3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC001276949405 1033733183 /nfs/dbraw/zinc/73/31/83/1033733183.db2.gz RYDUEPQHPFXITD-HXUWFJFHSA-N -1 1 355.438 2.503 20 30 FFEDMM [O-]/N=C/c1cccc(OC[C@H]2OCCc3cn(Cc4ccncc4)nc32)c1 ZINC001226110311 1034531611 /nfs/dbraw/zinc/53/16/11/1034531611.db2.gz QBQQYYLZTHUPPP-AZHVYHFMSA-N -1 1 364.405 2.827 20 30 FFEDMM C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=O)ncc1I ZINC001226772854 1034828653 /nfs/dbraw/zinc/82/86/53/1034828653.db2.gz DZROWBAHNPJKMG-SECBINFHSA-N -1 1 358.179 2.770 20 30 FFEDMM N#Cc1ccc([O-])c(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC001232676686 1035932242 /nfs/dbraw/zinc/93/22/42/1035932242.db2.gz BFQHTGKCXCZTBY-ILZDJORESA-N -1 1 365.433 2.717 20 30 FFEDMM N#Cc1ccc([O-])c(CN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC001232678208 1035935946 /nfs/dbraw/zinc/93/59/46/1035935946.db2.gz YTRABPIUADINBC-CEWLAPEOSA-N -1 1 365.433 2.607 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229128878 1036511937 /nfs/dbraw/zinc/51/19/37/1036511937.db2.gz DXTMJVJWGWYDOU-MEDUHNTESA-N -1 1 372.377 2.636 20 30 FFEDMM C=CCCOCCNC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836739415 1036793543 /nfs/dbraw/zinc/79/35/43/1036793543.db2.gz WYVJRKVMDXCXJI-UHFFFAOYSA-N -1 1 373.375 2.888 20 30 FFEDMM C#C[C@@H](CCC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229794173 1036902275 /nfs/dbraw/zinc/90/22/75/1036902275.db2.gz ZKGXQGRNICDZJI-NSHDSACASA-N -1 1 358.346 2.626 20 30 FFEDMM Cn1cc(CN2CCC23CN(Cc2cccc([O-])c2Cl)C3)cc1C#N ZINC001278910379 1038379493 /nfs/dbraw/zinc/37/94/93/1038379493.db2.gz DJPKZLJMABEWLH-UHFFFAOYSA-N -1 1 356.857 2.716 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2CN2CCCC2=O)c1 ZINC001256376572 1038492571 /nfs/dbraw/zinc/49/25/71/1038492571.db2.gz IDRBGINSHGNBHL-UHFFFAOYSA-N -1 1 369.446 2.676 20 30 FFEDMM COc1ncc(-c2ccc3cc(C#N)cnc3c2)cc1[N-]S(C)(=O)=O ZINC001244796170 1038783946 /nfs/dbraw/zinc/78/39/46/1038783946.db2.gz RPLWFVPJPMKHSD-UHFFFAOYSA-N -1 1 354.391 2.549 20 30 FFEDMM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)C(C)C ZINC001209778677 1039215977 /nfs/dbraw/zinc/21/59/77/1039215977.db2.gz AUFSNTJAIPTFIV-INIZCTEOSA-N -1 1 374.422 2.846 20 30 FFEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1F ZINC001259113140 1039721844 /nfs/dbraw/zinc/72/18/44/1039721844.db2.gz GCHFQNYXOMXWPW-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C2CC2)C3=O)ccc1F ZINC001259419273 1039989813 /nfs/dbraw/zinc/98/98/13/1039989813.db2.gz RELISUHSQPEDSN-UHFFFAOYSA-N -1 1 371.393 2.616 20 30 FFEDMM C#CCCCCCc1cn(Cc2cccc(C(=O)C=C(O)C(=O)[O-])c2)nn1 ZINC001254083433 1040562554 /nfs/dbraw/zinc/56/25/54/1040562554.db2.gz BQMIVVRLTDLOSE-UNOMPAQXSA-N -1 1 367.405 2.772 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)nc2Br)s1 ZINC001260678939 1040714112 /nfs/dbraw/zinc/71/41/12/1040714112.db2.gz RAXFCPTXKQUTGA-UHFFFAOYSA-N -1 1 358.242 2.887 20 30 FFEDMM COc1cnc(C(C)(C)NC(=O)Nc2ccc(C#N)c(Cl)c2)[n-]c1=O ZINC001214370714 1041400812 /nfs/dbraw/zinc/40/08/12/1041400812.db2.gz CQFDZIVBSMGPNI-UHFFFAOYSA-N -1 1 361.789 2.773 20 30 FFEDMM COc1ncc(Nc2ccc(C#N)c3ncccc23)cc1[N-]S(C)(=O)=O ZINC001216157796 1041966373 /nfs/dbraw/zinc/96/63/73/1041966373.db2.gz WAVVORYTFABOLL-UHFFFAOYSA-N -1 1 369.406 2.625 20 30 FFEDMM CSc1nc(C)c(CCC(=O)O[C@@H](C)CC#Cc2cccnc2)c(=O)[n-]1 ZINC001263508786 1042348067 /nfs/dbraw/zinc/34/80/67/1042348067.db2.gz HLGUQBYIKZLZHI-ZDUSSCGKSA-N -1 1 371.462 2.914 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001309524720 1043422697 /nfs/dbraw/zinc/42/26/97/1043422697.db2.gz ZHGDZRHQCRRPKB-AWEZNQCLSA-N -1 1 366.345 2.834 20 30 FFEDMM COc1cnc(C2(NC(=O)Nc3ccc(F)c(C#N)c3)CCCC2)[n-]c1=O ZINC001310250503 1043658280 /nfs/dbraw/zinc/65/82/80/1043658280.db2.gz WDBWDEHAMVIFAJ-UHFFFAOYSA-N -1 1 371.372 2.793 20 30 FFEDMM C=CCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)CCCCC1 ZINC001281753241 1045070444 /nfs/dbraw/zinc/07/04/44/1045070444.db2.gz QUCBICSRWJNVCV-HZPDHXFCSA-N -1 1 371.481 2.891 20 30 FFEDMM COc1ccc2cc(C(=O)N=C3[N-]S(=O)(=O)c4ccccc43)ccc2c1 ZINC001318175695 1045234937 /nfs/dbraw/zinc/23/49/37/1045234937.db2.gz LCYCKXMXOTWBKZ-UHFFFAOYSA-N -1 1 366.398 2.727 20 30 FFEDMM C=CCC1(C(=O)N2C[C@H]3CCN(C(=O)c4ncccc4[O-])C[C@H]32)CCCC1 ZINC001281971897 1045273968 /nfs/dbraw/zinc/27/39/68/1045273968.db2.gz MLKJHCNTQWCTON-HZPDHXFCSA-N -1 1 369.465 2.597 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1CN1CCCC1=O ZINC001321074082 1045534255 /nfs/dbraw/zinc/53/42/55/1045534255.db2.gz PDDRMPISLGUZEI-UHFFFAOYSA-N -1 1 369.446 2.676 20 30 FFEDMM C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001282535100 1045799060 /nfs/dbraw/zinc/79/90/60/1045799060.db2.gz GYZDEUPVNOHZGY-ARFHVFGLSA-N -1 1 359.470 2.604 20 30 FFEDMM CCc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccccc3C#N)n2)cc1 ZINC001321811886 1045814496 /nfs/dbraw/zinc/81/44/96/1045814496.db2.gz XSYPSLKNKMACGD-UHFFFAOYSA-N -1 1 352.419 2.880 20 30 FFEDMM CCc1ccc(-c2nc(S(=O)(=O)Cc3ccccc3C#N)n[n-]2)cc1 ZINC001321811886 1045814525 /nfs/dbraw/zinc/81/45/25/1045814525.db2.gz XSYPSLKNKMACGD-UHFFFAOYSA-N -1 1 352.419 2.880 20 30 FFEDMM CC(C)COc1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001321816692 1045816483 /nfs/dbraw/zinc/81/64/83/1045816483.db2.gz VJYBNDXUTFJYNO-UHFFFAOYSA-N -1 1 358.419 2.600 20 30 FFEDMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001322745982 1046209406 /nfs/dbraw/zinc/20/94/06/1046209406.db2.gz HWUCARZPBZPUCL-JKSUJKDBSA-N -1 1 354.431 2.618 20 30 FFEDMM COCCOCc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001330728663 1049297127 /nfs/dbraw/zinc/29/71/27/1049297127.db2.gz CTKDRZMLDDAELV-UHFFFAOYSA-N -1 1 360.435 2.716 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H](CC(F)(F)F)C1 ZINC001342177377 1050769535 /nfs/dbraw/zinc/76/95/35/1050769535.db2.gz MULTXUSONYGIBX-SNVBAGLBSA-N -1 1 356.352 2.729 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1c1cccc(C)c1C ZINC001340728713 1051089029 /nfs/dbraw/zinc/08/90/29/1051089029.db2.gz IWEBDPKDXRQLKE-OAHLLOKOSA-N -1 1 350.430 2.603 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H]1c1cccc(C)c1C ZINC001340728713 1051089040 /nfs/dbraw/zinc/08/90/40/1051089040.db2.gz IWEBDPKDXRQLKE-OAHLLOKOSA-N -1 1 350.430 2.603 20 30 FFEDMM CC1CCC(OC2CCN(Cc3cc(=O)n4[n-]cc(C#N)c4n3)CC2)CC1 ZINC001307464971 1052309820 /nfs/dbraw/zinc/30/98/20/1052309820.db2.gz NCDZXSZWMUFSGB-UHFFFAOYSA-N -1 1 369.469 2.866 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001343760051 1052405723 /nfs/dbraw/zinc/40/57/23/1052405723.db2.gz LTURWRJKWZRCSL-ZBFHGGJFSA-N -1 1 372.473 2.735 20 30 FFEDMM C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-] ZINC001344499121 1052803128 /nfs/dbraw/zinc/80/31/28/1052803128.db2.gz FGTPVIQAWVPACS-OAGGEKHMSA-N -1 1 359.470 2.746 20 30 FFEDMM C=C1CC(C)(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])C1 ZINC001344501127 1052803788 /nfs/dbraw/zinc/80/37/88/1052803788.db2.gz UTDBSSUDRVGPGN-HIFRSBDPSA-N -1 1 357.454 2.500 20 30 FFEDMM C=C[C@@H](C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1)c1ccccc1 ZINC001347461366 1054007176 /nfs/dbraw/zinc/00/71/76/1054007176.db2.gz DFEIVJMKIIBEDA-MRXNPFEDSA-N -1 1 368.437 2.657 20 30 FFEDMM C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])CCCC1 ZINC001347677498 1054218875 /nfs/dbraw/zinc/21/88/75/1054218875.db2.gz RTNBLLMDJCDZNJ-OAGGEKHMSA-N -1 1 369.465 2.785 20 30 FFEDMM CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC001337400080 1054721914 /nfs/dbraw/zinc/72/19/14/1054721914.db2.gz OINSTDMCNPNZOC-AWEZNQCLSA-N -1 1 366.845 2.969 20 30 FFEDMM C=CCCCN(CC)c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1C ZINC001338368334 1055451634 /nfs/dbraw/zinc/45/16/34/1055451634.db2.gz KBKVPXVTOXSJRA-UHFFFAOYSA-N -1 1 365.441 2.832 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1c1ccccc1Cl ZINC001339570978 1056595845 /nfs/dbraw/zinc/59/58/45/1056595845.db2.gz SRPAUMKXDWZPOB-AWEZNQCLSA-N -1 1 370.848 2.563 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1c1ccccc1Cl ZINC001339570978 1056595859 /nfs/dbraw/zinc/59/58/59/1056595859.db2.gz SRPAUMKXDWZPOB-AWEZNQCLSA-N -1 1 370.848 2.563 20 30 FFEDMM CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(F)c([O-])c2)C1=O ZINC001448744492 1058812813 /nfs/dbraw/zinc/81/28/13/1058812813.db2.gz FMPJICMLNZCWMV-GOSISDBHSA-N -1 1 365.405 2.847 20 30 FFEDMM C=C1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC001300667196 1059241030 /nfs/dbraw/zinc/24/10/30/1059241030.db2.gz SZZCHXFAEIDNHL-UHFFFAOYSA-N -1 1 360.410 2.947 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1[O-] ZINC001457379743 1060357888 /nfs/dbraw/zinc/35/78/88/1060357888.db2.gz AJGUUYTWZIGLQP-JXFKEZNVSA-N -1 1 350.374 2.677 20 30 FFEDMM C=CCCn1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)nn1 ZINC001464228302 1062494401 /nfs/dbraw/zinc/49/44/01/1062494401.db2.gz KVDKFXKKPZGOAB-UHFFFAOYSA-N -1 1 361.254 2.640 20 30 FFEDMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cc(C#N)ccc2C)n[n-]1 ZINC001467595092 1063795177 /nfs/dbraw/zinc/79/51/77/1063795177.db2.gz RDNYUMYKIYYHCG-OAHLLOKOSA-N -1 1 369.425 2.679 20 30 FFEDMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cc(C#N)ccc2C)[n-]1 ZINC001467595092 1063795185 /nfs/dbraw/zinc/79/51/85/1063795185.db2.gz RDNYUMYKIYYHCG-OAHLLOKOSA-N -1 1 369.425 2.679 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cc(C#N)ccc2C)n1 ZINC001467595092 1063795193 /nfs/dbraw/zinc/79/51/93/1063795193.db2.gz RDNYUMYKIYYHCG-OAHLLOKOSA-N -1 1 369.425 2.679 20 30 FFEDMM C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001574669649 1078055174 /nfs/dbraw/zinc/05/51/74/1078055174.db2.gz LRMFZXDVHUISCA-AVYPCKFXSA-N -1 1 357.454 2.500 20 30 FFEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1noc(C)n1 ZINC001475060767 1065690275 /nfs/dbraw/zinc/69/02/75/1065690275.db2.gz VDOMABVTKVKUBK-LBPRGKRZSA-N -1 1 374.344 2.698 20 30 FFEDMM N#Cc1ncc(NC(c2ccccc2)c2ccccc2)nc1-c1nn[n-]n1 ZINC001581883427 1079012834 /nfs/dbraw/zinc/01/28/34/1079012834.db2.gz ZLKTUEGKFZXKBP-UHFFFAOYSA-N -1 1 354.377 2.730 20 30 FFEDMM C=C[C@H](CO)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC001559018892 1076116506 /nfs/dbraw/zinc/11/65/06/1076116506.db2.gz UWJXRYYKHMJQTF-CYBMUJFWSA-N -1 1 350.374 2.597 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C(C)(C)C ZINC001561617587 1076399116 /nfs/dbraw/zinc/39/91/16/1076399116.db2.gz OWUVLMKYPZWYPV-LBPRGKRZSA-N -1 1 361.822 2.592 20 30 FFEDMM Cc1ccc2oc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cc2c1 ZINC001561755558 1076417553 /nfs/dbraw/zinc/41/75/53/1076417553.db2.gz KPMAWXRGJSQCEP-UHFFFAOYSA-N -1 1 371.374 3.000 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(=O)OCC ZINC001561828397 1076429430 /nfs/dbraw/zinc/42/94/30/1076429430.db2.gz NOBPVSWSLGDFMF-ZDUSSCGKSA-N -1 1 366.266 2.834 20 30 FFEDMM N#Cc1sccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(F)cc1F ZINC001561894762 1076440295 /nfs/dbraw/zinc/44/02/95/1076440295.db2.gz DDUMVFRDDGOPSX-UHFFFAOYSA-N -1 1 364.345 2.968 20 30 FFEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001565063769 1076681641 /nfs/dbraw/zinc/68/16/41/1076681641.db2.gz SOKCRDTVQYIVKI-IOASZLSFSA-N -1 1 361.408 2.974 20 30 FFEDMM C=C[C@H](O)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001587013957 1079720562 /nfs/dbraw/zinc/72/05/62/1079720562.db2.gz RDIMITLNEKMPEC-HNNXBMFYSA-N -1 1 366.826 2.626 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2nc3cc(C#N)ccc3[nH]2)c(=O)[n-]1 ZINC001587347450 1079778272 /nfs/dbraw/zinc/77/82/72/1079778272.db2.gz MKPGSXIFIRHSME-UHFFFAOYSA-N -1 1 368.422 2.532 20 30 FFEDMM C=CC(C)(C)CC(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588483482 1080046181 /nfs/dbraw/zinc/04/61/81/1080046181.db2.gz LSBPNOKDBNWBQC-LLVKDONJSA-N -1 1 363.491 2.541 20 30 FFEDMM C=CC[C@@H](CC)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001588540888 1080087273 /nfs/dbraw/zinc/08/72/73/1080087273.db2.gz HCDMFRVLDIMZNO-LLVKDONJSA-N -1 1 358.471 2.946 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001588615136 1080122939 /nfs/dbraw/zinc/12/29/39/1080122939.db2.gz LEDZEYYQEJEMMZ-HNNXBMFYSA-N -1 1 360.458 2.979 20 30 FFEDMM CC#CCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001588746415 1080178852 /nfs/dbraw/zinc/17/88/52/1080178852.db2.gz RBAROMYSUKOEOU-UHFFFAOYSA-N -1 1 365.368 2.941 20 30 FFEDMM CC#CCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001588746415 1080178857 /nfs/dbraw/zinc/17/88/57/1080178857.db2.gz RBAROMYSUKOEOU-UHFFFAOYSA-N -1 1 365.368 2.941 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)c(F)cc1Br ZINC000387428982 512892600 /nfs/dbraw/zinc/89/26/00/512892600.db2.gz IIANFWVONANHPF-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000055613047 506796645 /nfs/dbraw/zinc/79/66/45/506796645.db2.gz DCLRNOCUIQDJFP-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000108639327 507909920 /nfs/dbraw/zinc/90/99/20/507909920.db2.gz NPVYFIKJJGSKOM-UHFFFAOYSA-N -1 1 368.418 2.672 20 30 FFEDMM C#Cc1cccc(N(CC)C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000103101506 508296568 /nfs/dbraw/zinc/29/65/68/508296568.db2.gz TZRJSEQPEONKGK-UHFFFAOYSA-N -1 1 372.428 2.717 20 30 FFEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000116158840 508480304 /nfs/dbraw/zinc/48/03/04/508480304.db2.gz DJEBABJUIBVWFY-UHFFFAOYSA-N -1 1 369.446 2.574 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000158233719 508676248 /nfs/dbraw/zinc/67/62/48/508676248.db2.gz LWLIHJHAMDMLDZ-UHFFFAOYSA-N -1 1 370.430 2.547 20 30 FFEDMM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000130500847 508823752 /nfs/dbraw/zinc/82/37/52/508823752.db2.gz MENFLFHUCHMMGC-YGRLFVJLSA-N -1 1 357.819 2.999 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)Cc1cccc(C#N)c1 ZINC000159870748 508903496 /nfs/dbraw/zinc/90/34/96/508903496.db2.gz PAGAYUYAUOVOSL-UHFFFAOYSA-N -1 1 363.421 2.515 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C#N)CC3)cc2)c1C ZINC000160939224 509050978 /nfs/dbraw/zinc/05/09/78/509050978.db2.gz SESHDJYLEBIHQD-UHFFFAOYSA-N -1 1 369.446 2.890 20 30 FFEDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2[nH]1 ZINC000182502883 509272488 /nfs/dbraw/zinc/27/24/88/509272488.db2.gz XCEJKRHYOMFINZ-UHFFFAOYSA-N -1 1 353.403 2.763 20 30 FFEDMM N#Cc1ccc(OC2CCC(NC(=O)c3ccc(C#N)c([O-])c3)CC2)nc1 ZINC000189086944 509405658 /nfs/dbraw/zinc/40/56/58/509405658.db2.gz LZYCJLQRKCYNAS-UHFFFAOYSA-N -1 1 362.389 2.651 20 30 FFEDMM CCN(C[C@@H](C)C#N)C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163884503 509436899 /nfs/dbraw/zinc/43/68/99/509436899.db2.gz CYRYPNSMDVDPNC-ZDUSSCGKSA-N -1 1 370.478 2.846 20 30 FFEDMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1Oc1ccccc1 ZINC000249141830 509621158 /nfs/dbraw/zinc/62/11/58/509621158.db2.gz YCBUXSBEJHXPCN-BHIYHBOVSA-N -1 1 352.390 2.619 20 30 FFEDMM Cn1ccnc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(F)c1 ZINC000190007729 509880790 /nfs/dbraw/zinc/88/07/90/509880790.db2.gz ZSSHERWSJHJFNL-KRWDZBQOSA-N -1 1 350.353 2.656 20 30 FFEDMM CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2)CC1 ZINC000190510917 510174869 /nfs/dbraw/zinc/17/48/69/510174869.db2.gz PQGYKYHJTCJEJT-UHFFFAOYSA-N -1 1 364.449 2.654 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[O-] ZINC000190945017 510427861 /nfs/dbraw/zinc/42/78/61/510427861.db2.gz KPDVHLNNPOHORR-IBGZPJMESA-N -1 1 350.374 2.916 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[O-] ZINC000190944999 510427912 /nfs/dbraw/zinc/42/79/12/510427912.db2.gz KPDVHLNNPOHORR-LJQANCHMSA-N -1 1 350.374 2.916 20 30 FFEDMM COc1cccc([C@H](C)N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000188272704 510680917 /nfs/dbraw/zinc/68/09/17/510680917.db2.gz DMFFMMJGKUUCHT-HNNXBMFYSA-N -1 1 365.433 2.791 20 30 FFEDMM N#C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000188457432 510776066 /nfs/dbraw/zinc/77/60/66/510776066.db2.gz GQXCQJVNMUJXBW-LLVKDONJSA-N -1 1 367.148 2.997 20 30 FFEDMM N#CC1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000282416847 510968009 /nfs/dbraw/zinc/96/80/09/510968009.db2.gz FHHGYAMKDGLYEC-UHFFFAOYSA-N -1 1 357.819 2.856 20 30 FFEDMM CC(C)(CNC(=O)c1ccc(Br)cc1[O-])N1CCOCC1 ZINC000331242488 511053968 /nfs/dbraw/zinc/05/39/68/511053968.db2.gz RDNUVLLJHQXMFL-UHFFFAOYSA-N -1 1 357.248 2.570 20 30 FFEDMM C=CCOc1ccccc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291077367 511158534 /nfs/dbraw/zinc/15/85/34/511158534.db2.gz JMFGXZLMRGGZDP-ZDUSSCGKSA-N -1 1 370.371 2.782 20 30 FFEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295137265 511295369 /nfs/dbraw/zinc/29/53/69/511295369.db2.gz LUUKRDKARZEELT-ZETCQYMHSA-N -1 1 352.199 2.872 20 30 FFEDMM N#Cc1cccc(OC2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)c1 ZINC000295302668 511355835 /nfs/dbraw/zinc/35/58/35/511355835.db2.gz RFODPIJCKXKQHD-UHFFFAOYSA-N -1 1 356.353 2.792 20 30 FFEDMM Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350822615 511889731 /nfs/dbraw/zinc/88/97/31/511889731.db2.gz GRDZGXFMMPBTQF-UHFFFAOYSA-N -1 1 354.341 2.956 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2cnc(C#N)n2)cc(C)c1F ZINC000378018709 512551898 /nfs/dbraw/zinc/55/18/98/512551898.db2.gz ORCLRYWKELCOMJ-UHFFFAOYSA-N -1 1 371.397 2.696 20 30 FFEDMM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2ccc(C)cc2F)c1C#N ZINC000446764303 513333729 /nfs/dbraw/zinc/33/37/29/513333729.db2.gz GBGYIPRCTNHLLR-UHFFFAOYSA-N -1 1 365.434 2.517 20 30 FFEDMM CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425318008 513508398 /nfs/dbraw/zinc/50/83/98/513508398.db2.gz GXZQPEJLTDFWHK-UHFFFAOYSA-N -1 1 354.410 2.622 20 30 FFEDMM CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425318008 513508407 /nfs/dbraw/zinc/50/84/07/513508407.db2.gz GXZQPEJLTDFWHK-UHFFFAOYSA-N -1 1 354.410 2.622 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)ccc1C#N ZINC000435755294 513677429 /nfs/dbraw/zinc/67/74/29/513677429.db2.gz IHVDJWVBEMDPKS-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1[O-] ZINC000442972374 513832679 /nfs/dbraw/zinc/83/26/79/513832679.db2.gz LTVSAZYNDZUBLG-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000436507958 513878724 /nfs/dbraw/zinc/87/87/24/513878724.db2.gz YDWYHMPXYAGFNS-UHFFFAOYSA-N -1 1 363.329 2.958 20 30 FFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)cc(I)c1 ZINC000416946329 514059365 /nfs/dbraw/zinc/05/93/65/514059365.db2.gz ASNHGYSKAHTQNS-NSHDSACASA-N -1 1 364.208 2.644 20 30 FFEDMM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000451961784 514096411 /nfs/dbraw/zinc/09/64/11/514096411.db2.gz UEDLHUCNJRZVCV-UHFFFAOYSA-N -1 1 373.356 2.996 20 30 FFEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000432620011 514243389 /nfs/dbraw/zinc/24/33/89/514243389.db2.gz RFZDXIBUJMJDCY-UHFFFAOYSA-N -1 1 358.423 2.809 20 30 FFEDMM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)n[nH]1 ZINC000489206010 514752921 /nfs/dbraw/zinc/75/29/21/514752921.db2.gz ODEGCILXVUSQQF-DTWKUNHWSA-N -1 1 360.443 2.503 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)c(C)cc1C ZINC000475785025 514809029 /nfs/dbraw/zinc/80/90/29/514809029.db2.gz GEUDFQUPUHLJQA-UHFFFAOYSA-N -1 1 358.419 2.957 20 30 FFEDMM N#C[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000509093704 515019829 /nfs/dbraw/zinc/01/98/29/515019829.db2.gz JGAWXXPVVBCPDY-BFUOFWGJSA-N -1 1 353.809 2.891 20 30 FFEDMM CC(C)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000476420469 515043359 /nfs/dbraw/zinc/04/33/59/515043359.db2.gz DLSHTHUXXCUKDL-CQSZACIVSA-N -1 1 358.504 2.746 20 30 FFEDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000503731289 515131971 /nfs/dbraw/zinc/13/19/71/515131971.db2.gz GFNSNTMMIOIVIY-UHFFFAOYSA-N -1 1 370.887 2.839 20 30 FFEDMM N#Cc1ccnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000485706518 515152218 /nfs/dbraw/zinc/15/22/18/515152218.db2.gz CGVDBTCPESYRBS-UHFFFAOYSA-N -1 1 353.157 2.938 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000509581234 515243943 /nfs/dbraw/zinc/24/39/43/515243943.db2.gz ABLNHUSZAWPUEM-UHFFFAOYSA-N -1 1 372.446 2.728 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000468974572 515608735 /nfs/dbraw/zinc/60/87/35/515608735.db2.gz NMQLWCZOWTZYKV-UHFFFAOYSA-N -1 1 373.434 2.886 20 30 FFEDMM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000494405438 515833730 /nfs/dbraw/zinc/83/37/30/515833730.db2.gz UHFHNXJXFKZIMP-UHFFFAOYSA-N -1 1 356.812 2.861 20 30 FFEDMM C=CCn1c(=O)c2c3c(sc2nc1SCc1nn[n-]n1)CCCCC3 ZINC000497230943 516301720 /nfs/dbraw/zinc/30/17/20/516301720.db2.gz QKXKXXJCBPDENZ-UHFFFAOYSA-N -1 1 374.495 2.718 20 30 FFEDMM CN(CC(C)(C)C#N)C(=O)c1ccc(I)c([O-])c1 ZINC000497387829 516318132 /nfs/dbraw/zinc/31/81/32/516318132.db2.gz LFFMPVDJMWMDOD-UHFFFAOYSA-N -1 1 358.179 2.619 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1[O-] ZINC000554579465 516521797 /nfs/dbraw/zinc/52/17/97/516521797.db2.gz PAQDINWALUHXHL-MRXNPFEDSA-N -1 1 350.422 2.816 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C1CCCCC1 ZINC000547801726 516572584 /nfs/dbraw/zinc/57/25/84/516572584.db2.gz QGOPCMUZOCVDHZ-HNNXBMFYSA-N -1 1 356.488 2.502 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCCOc2ccc(Cl)cc2)o1 ZINC000561476954 516605939 /nfs/dbraw/zinc/60/59/39/516605939.db2.gz IXSJTSGBUDGXCT-UHFFFAOYSA-N -1 1 354.815 2.942 20 30 FFEDMM CC#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000561699531 516722136 /nfs/dbraw/zinc/72/21/36/516722136.db2.gz MLTDDQPKNJVPEU-UHFFFAOYSA-N -1 1 360.410 2.722 20 30 FFEDMM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(F)cc1[O-] ZINC000532012748 516755558 /nfs/dbraw/zinc/75/55/58/516755558.db2.gz AOWXPLMNJJXBMO-UHFFFAOYSA-N -1 1 353.357 2.634 20 30 FFEDMM N#Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000548525516 517035101 /nfs/dbraw/zinc/03/51/01/517035101.db2.gz IBVFEBXMXHKEJQ-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM CCOC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(OC)c1 ZINC000525950618 517251169 /nfs/dbraw/zinc/25/11/69/517251169.db2.gz HZUCLRPXTILQEF-KRWDZBQOSA-N -1 1 368.389 2.697 20 30 FFEDMM CCCCN(C)S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542051424 517360542 /nfs/dbraw/zinc/36/05/42/517360542.db2.gz QASCBNFWLDSOIP-UHFFFAOYSA-N -1 1 367.862 2.786 20 30 FFEDMM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1 ZINC000530137273 517586035 /nfs/dbraw/zinc/58/60/35/517586035.db2.gz ILCCDLHAHWZISC-UHFFFAOYSA-N -1 1 367.430 2.503 20 30 FFEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1noc2c1COCC2 ZINC000527593834 517780296 /nfs/dbraw/zinc/78/02/96/517780296.db2.gz YXVZMMVHQPXVSG-CQSZACIVSA-N -1 1 367.405 2.833 20 30 FFEDMM CCCCN(C)S(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542982504 517853104 /nfs/dbraw/zinc/85/31/04/517853104.db2.gz NMEUTUFOOFUIEL-UHFFFAOYSA-N -1 1 367.862 2.786 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F ZINC000547335427 518086230 /nfs/dbraw/zinc/08/62/30/518086230.db2.gz ZGKVXHCLWGIWET-GFCCVEGCSA-N -1 1 350.362 2.822 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(F)cc(F)c3)n[nH]2)o1 ZINC000570433756 518603776 /nfs/dbraw/zinc/60/37/76/518603776.db2.gz JRISEISUEHRJMG-UHFFFAOYSA-N -1 1 350.306 2.620 20 30 FFEDMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCCCCC#N)c1 ZINC000588150365 518736676 /nfs/dbraw/zinc/73/66/76/518736676.db2.gz KTAQUMYKEMZRNU-UHFFFAOYSA-N -1 1 367.471 2.835 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccoc2)cc1Br ZINC000570759609 518765407 /nfs/dbraw/zinc/76/54/07/518765407.db2.gz WQODJMKDBZCONQ-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM Cc1noc(COc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2)n1 ZINC000589181334 518941723 /nfs/dbraw/zinc/94/17/23/518941723.db2.gz NVAWJGALBJFNHT-UHFFFAOYSA-N -1 1 350.334 2.787 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000589530342 519025077 /nfs/dbraw/zinc/02/50/77/519025077.db2.gz ABGWZNXCXREPHP-HZPDHXFCSA-N -1 1 368.393 2.866 20 30 FFEDMM N#Cc1ccnc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000580279222 519093372 /nfs/dbraw/zinc/09/33/72/519093372.db2.gz FIOLKQFXRXIVMD-UHFFFAOYSA-N -1 1 352.213 2.658 20 30 FFEDMM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000569493743 519581050 /nfs/dbraw/zinc/58/10/50/519581050.db2.gz YKAXVWCQKQGEDK-MRVPVSSYSA-N -1 1 359.213 2.540 20 30 FFEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000609379772 520298055 /nfs/dbraw/zinc/29/80/55/520298055.db2.gz CBJNCIASNOTEDO-UHFFFAOYSA-N -1 1 373.459 2.988 20 30 FFEDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1F ZINC000600668284 520384719 /nfs/dbraw/zinc/38/47/19/520384719.db2.gz MLDFQJHEAIUVIX-ZDUSSCGKSA-N -1 1 372.393 2.502 20 30 FFEDMM COCCn1ncc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc21 ZINC000609629690 520388378 /nfs/dbraw/zinc/38/83/78/520388378.db2.gz BBGREIUJPGFJTQ-UHFFFAOYSA-N -1 1 370.434 2.664 20 30 FFEDMM C[C@]1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000598405156 520601422 /nfs/dbraw/zinc/60/14/22/520601422.db2.gz HJKHIKKTMDGDLI-LJQANCHMSA-N -1 1 369.446 2.863 20 30 FFEDMM N#C[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CCN1Cc1ccccc1 ZINC000601176494 520671721 /nfs/dbraw/zinc/67/17/21/520671721.db2.gz JGBAAXAJLJAUSG-QGZVFWFLSA-N -1 1 369.852 2.825 20 30 FFEDMM COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)s1 ZINC000598561637 520706774 /nfs/dbraw/zinc/70/67/74/520706774.db2.gz KEMSLKKELFXHSN-CYBMUJFWSA-N -1 1 371.418 2.527 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c(F)c1 ZINC000610970491 520923826 /nfs/dbraw/zinc/92/38/26/520923826.db2.gz ASEDLWGOVMNUHO-UHFFFAOYSA-N -1 1 364.373 2.813 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000614373820 520930209 /nfs/dbraw/zinc/93/02/09/520930209.db2.gz CPCNENPZYTUFTP-UHFFFAOYSA-N -1 1 358.344 2.978 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N2Cc3cccc(C#N)c3C2)c(=O)[n-]1 ZINC000593362617 520940440 /nfs/dbraw/zinc/94/04/40/520940440.db2.gz HXFQUOZTDLWBTE-UHFFFAOYSA-N -1 1 354.435 2.559 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCN2CCc3c(Cl)cccc3C2)c1 ZINC000615487921 521419579 /nfs/dbraw/zinc/41/95/79/521419579.db2.gz IQERAZINLBOQSZ-UHFFFAOYSA-N -1 1 355.825 2.705 20 30 FFEDMM C[C@@H]1CN(c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cn2)C[C@@H](C)O1 ZINC000619450326 521574405 /nfs/dbraw/zinc/57/44/05/521574405.db2.gz BQWGVNOGNIVABE-CHWSQXEVSA-N -1 1 352.394 2.525 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619462859 521580653 /nfs/dbraw/zinc/58/06/53/521580653.db2.gz WOFQDRMSXBIKAO-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619463842 521582391 /nfs/dbraw/zinc/58/23/91/521582391.db2.gz NCTUHOBWMQYMHQ-CQSZACIVSA-N -1 1 372.446 2.905 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCOc3ccc(Cl)cc32)o1 ZINC000737468105 598861643 /nfs/dbraw/zinc/86/16/43/598861643.db2.gz YYIWCAASOAVAJW-UHFFFAOYSA-N -1 1 359.777 2.805 20 30 FFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000819811649 597662923 /nfs/dbraw/zinc/66/29/23/597662923.db2.gz TUWGXAKBLPKOOD-AUUYWEPGSA-N -1 1 373.457 2.563 20 30 FFEDMM CN(C)c1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1F ZINC000736773808 598494718 /nfs/dbraw/zinc/49/47/18/598494718.db2.gz OZGPWBKDNKNYKX-UHFFFAOYSA-N -1 1 372.408 2.803 20 30 FFEDMM C#C[C@@H](C)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819688663 599624921 /nfs/dbraw/zinc/62/49/21/599624921.db2.gz LTTKUGNCWKJWCJ-LLVKDONJSA-N -1 1 352.325 2.977 20 30 FFEDMM C#C[C@@H](C)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819688663 599624922 /nfs/dbraw/zinc/62/49/22/599624922.db2.gz LTTKUGNCWKJWCJ-LLVKDONJSA-N -1 1 352.325 2.977 20 30 FFEDMM N#Cc1ccc([C@H](Nc2ccc(CCN3CCOCC3)cc2)C(=O)[O-])cc1 ZINC000739110055 600596632 /nfs/dbraw/zinc/59/66/32/600596632.db2.gz OIIZVHYMYLYFHU-FQEVSTJZSA-N -1 1 365.433 2.671 20 30 FFEDMM C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc(C#N)cc1 ZINC000827728008 600692329 /nfs/dbraw/zinc/69/23/29/600692329.db2.gz OMVQZPWJSJHHFR-NHYWBVRUSA-N -1 1 355.419 2.774 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H](C(=O)[O-])C2)ccc1Cl ZINC000738409676 601034562 /nfs/dbraw/zinc/03/45/62/601034562.db2.gz YLGGONHTIZSDIE-AWEZNQCLSA-N -1 1 363.845 2.692 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000825967636 601525322 /nfs/dbraw/zinc/52/53/22/601525322.db2.gz XORZKMHBJAEQTD-RDBSUJKOSA-N -1 1 361.467 2.529 20 30 FFEDMM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCC1 ZINC000740304584 602671009 /nfs/dbraw/zinc/67/10/09/602671009.db2.gz WKQMREBDVIYUND-HZPDHXFCSA-N -1 1 357.410 2.543 20 30 FFEDMM C#CCCN1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000833362542 605192182 /nfs/dbraw/zinc/19/21/82/605192182.db2.gz XGTNHRPBQNRXHT-UHFFFAOYSA-N -1 1 355.463 2.649 20 30 FFEDMM C#CCCN1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000833362193 605192587 /nfs/dbraw/zinc/19/25/87/605192587.db2.gz FGBVMMFMNQWYFV-UHFFFAOYSA-N -1 1 355.463 2.649 20 30 FFEDMM N#Cc1ccc(-c2nnc(CN3CCC4(C3)CCN(C(=O)[O-])CC4)o2)cc1 ZINC000833974060 605899693 /nfs/dbraw/zinc/89/96/93/605899693.db2.gz HMOYJCGWOHYQRG-UHFFFAOYSA-N -1 1 367.409 2.574 20 30 FFEDMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000833827625 605901586 /nfs/dbraw/zinc/90/15/86/605901586.db2.gz BVWPOGCWGDLKIK-JSGCOSHPSA-N -1 1 356.344 2.915 20 30 FFEDMM N#CC(C(=O)CCCCNC(=O)[O-])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000833961147 605909333 /nfs/dbraw/zinc/90/93/33/605909333.db2.gz OSXFBIKKJARIRM-JTQLQIEISA-N -1 1 355.753 2.564 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOCC2)cc1 ZINC000822923180 606388300 /nfs/dbraw/zinc/38/83/00/606388300.db2.gz NTBIWTRGWMCDRC-ALCCZGGFSA-N -1 1 367.434 2.661 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2c(O)cccc2Cl)o1 ZINC000824280410 607886372 /nfs/dbraw/zinc/88/63/72/607886372.db2.gz MLMFRCKYWFRBMI-UHFFFAOYSA-N -1 1 361.793 2.858 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)[C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000823961972 608053842 /nfs/dbraw/zinc/05/38/42/608053842.db2.gz CLIXOBOITJBAJN-SECBINFHSA-N -1 1 370.373 2.738 20 30 FFEDMM C[C@@H]1CCCN(c2nc([O-])c(CC(=O)Nc3ccc(C#N)cc3)s2)C1 ZINC000077397504 728274459 /nfs/dbraw/zinc/27/44/59/728274459.db2.gz QDXJLBIILGCJHR-IUODEOHRSA-N -1 1 356.451 2.617 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cn1 ZINC000110590613 728532399 /nfs/dbraw/zinc/53/23/99/728532399.db2.gz CYACVKDOROKMSS-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000185338965 729346978 /nfs/dbraw/zinc/34/69/78/729346978.db2.gz BVJJODMNVZIKHQ-OAHLLOKOSA-N -1 1 356.447 2.856 20 30 FFEDMM O=C(Oc1c(F)c(F)cc(F)c1F)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000193349792 729475679 /nfs/dbraw/zinc/47/56/79/729475679.db2.gz KQILWCBNWQYTPD-FFWSUHOLSA-N -1 1 359.197 2.606 20 30 FFEDMM CC[C@@H]1CCN(c2nc([O-])c(CC(=O)Nc3ccc(C#N)cc3)s2)C1 ZINC000864344958 730840501 /nfs/dbraw/zinc/84/05/01/730840501.db2.gz LANIZUSRTXELGK-IUODEOHRSA-N -1 1 356.451 2.617 20 30 FFEDMM C#Cc1cccc(NC(=S)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000865276041 730934420 /nfs/dbraw/zinc/93/44/20/730934420.db2.gz RXQLOOPNYIIDDR-HNNXBMFYSA-N -1 1 355.385 2.508 20 30 FFEDMM O=C1Nc2c(cc(F)cc2Br)C1=N[N-]c1ncncc1Cl ZINC000780283342 738530887 /nfs/dbraw/zinc/53/08/87/738530887.db2.gz SOUSSAQVWYBQCJ-UHFFFAOYSA-N -1 1 370.569 2.800 20 30 FFEDMM N#CCC1(C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000882150303 733180001 /nfs/dbraw/zinc/18/00/01/733180001.db2.gz TUJCZTJSFYCLIM-UHFFFAOYSA-N -1 1 353.753 2.726 20 30 FFEDMM N#CC(=C([O-])c1cnc2ncc(Br)cc2c1)c1ccncn1 ZINC000682006033 734043458 /nfs/dbraw/zinc/04/34/58/734043458.db2.gz ROIWXOBIMJCLQE-LBPRGKRZSA-N -1 1 354.167 2.672 20 30 FFEDMM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895166480 734970236 /nfs/dbraw/zinc/97/02/36/734970236.db2.gz RGAFSXBVCDHRIY-KRWDZBQOSA-N -1 1 362.861 2.671 20 30 FFEDMM Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895166988 734970338 /nfs/dbraw/zinc/97/03/38/734970338.db2.gz WJIXNJHYULCOJB-QGZVFWFLSA-N -1 1 362.861 2.671 20 30 FFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(F)cc1F ZINC000739667921 735055754 /nfs/dbraw/zinc/05/57/54/735055754.db2.gz CMYREGDFKFWNBW-UHFFFAOYSA-N -1 1 369.324 2.735 20 30 FFEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@H](C)O)cc2)cc1 ZINC000741819190 735163770 /nfs/dbraw/zinc/16/37/70/735163770.db2.gz MVMNYYBSJRXNOW-ZDUSSCGKSA-N -1 1 361.419 2.884 20 30 FFEDMM C#CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C(C)C ZINC000928626654 738887390 /nfs/dbraw/zinc/88/73/90/738887390.db2.gz PBBRQCXYLVPXKR-UHFFFAOYSA-N -1 1 358.316 2.987 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C(Cc1ccccc1)C1CC1 ZINC000748248043 735630202 /nfs/dbraw/zinc/63/02/02/735630202.db2.gz CTTBDHCZWVSQBJ-UHFFFAOYSA-N -1 1 359.407 2.882 20 30 FFEDMM O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N([O-])Cc1cccc2ccccc21 ZINC000901372607 735772089 /nfs/dbraw/zinc/77/20/89/735772089.db2.gz IXELXDXMKGFXFG-CABCVRRESA-N -1 1 355.312 2.904 20 30 FFEDMM C[C@H]1Cc2ccccc2C1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000751132727 735848347 /nfs/dbraw/zinc/84/83/47/735848347.db2.gz IFNTYRCZIFGTDI-LBPRGKRZSA-N -1 1 359.407 2.611 20 30 FFEDMM C=C[C@@H](CCC(=O)[O-])NCc1cn(-c2ccccc2Br)nn1 ZINC000904013860 736204621 /nfs/dbraw/zinc/20/46/21/736204621.db2.gz KQWNBBIDWHYVPA-NSHDSACASA-N -1 1 365.231 2.539 20 30 FFEDMM C[S@](=O)(=NS(=O)(=O)[N-]c1cc(C#N)ccc1F)C1CCCCC1 ZINC000906066344 736450142 /nfs/dbraw/zinc/45/01/42/736450142.db2.gz ATKSSPSPNDNSCR-JOCHJYFZSA-N -1 1 359.448 2.785 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC(c2ccc(F)cc2)C1 ZINC000759205490 736554837 /nfs/dbraw/zinc/55/48/37/736554837.db2.gz ODBNLKUZOKDIRK-UHFFFAOYSA-N -1 1 363.370 2.946 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(Cl)c3cccnc23)c2ccccc21 ZINC000760243992 736623941 /nfs/dbraw/zinc/62/39/41/736623941.db2.gz XSKQOFMOGDBJAE-UHFFFAOYSA-N -1 1 370.821 2.961 20 30 FFEDMM C#CCN(CC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000760946587 736682426 /nfs/dbraw/zinc/68/24/26/736682426.db2.gz ITGFFLQWVPTNKN-UHFFFAOYSA-N -1 1 357.435 2.974 20 30 FFEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000908644000 736807814 /nfs/dbraw/zinc/80/78/14/736807814.db2.gz FCUZHYIWSIAPPY-AWEZNQCLSA-N -1 1 363.483 2.671 20 30 FFEDMM C=C(Cl)C[C@@H](NC(=O)NC[C@H](c1ccco1)N(CC)CC)C(=O)[O-] ZINC000908876698 736850283 /nfs/dbraw/zinc/85/02/83/736850283.db2.gz ZRVKFIZXBJYOKY-CHWSQXEVSA-N -1 1 357.838 2.558 20 30 FFEDMM Cc1ccc(COc2ccc(C=Nn3c(=O)cn[n-]c3=S)cc2)cc1 ZINC000766482416 737233645 /nfs/dbraw/zinc/23/36/45/737233645.db2.gz LKUGLIFPAWHVGD-UHFFFAOYSA-N -1 1 352.419 2.697 20 30 FFEDMM C#C[C@@H](C)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000767439117 737325436 /nfs/dbraw/zinc/32/54/36/737325436.db2.gz BSTBDFGVMLPVST-LLVKDONJSA-N -1 1 351.378 2.619 20 30 FFEDMM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000768888941 737473139 /nfs/dbraw/zinc/47/31/39/737473139.db2.gz YWRXDNQTXKPYFN-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM C#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000916621195 737716547 /nfs/dbraw/zinc/71/65/47/737716547.db2.gz IUJUUVUNDXHHOR-UHFFFAOYSA-N -1 1 359.403 2.676 20 30 FFEDMM N#Cc1cc(CS(=O)(=O)[N-][C@H]2c3ccccc3OC[C@H]2F)cs1 ZINC000921318211 737960145 /nfs/dbraw/zinc/96/01/45/737960145.db2.gz SGPNYQVBIUWNJC-HIFRSBDPSA-N -1 1 352.412 2.511 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000775295657 738081076 /nfs/dbraw/zinc/08/10/76/738081076.db2.gz NPEMKFDLIWRUKY-UHFFFAOYSA-N -1 1 359.403 2.517 20 30 FFEDMM N#CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000932901911 739533729 /nfs/dbraw/zinc/53/37/29/739533729.db2.gz CHSQOVUCPSDDMV-VIFPVBQESA-N -1 1 366.137 2.798 20 30 FFEDMM COc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000791771582 739600996 /nfs/dbraw/zinc/60/09/96/739600996.db2.gz OYIRJFDHMWYMIF-SECBINFHSA-N -1 1 365.176 2.753 20 30 FFEDMM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc2cncn2c1 ZINC000793281106 739762143 /nfs/dbraw/zinc/76/21/43/739762143.db2.gz QEBQNHVYEFFJSU-MRXNPFEDSA-N -1 1 352.781 2.627 20 30 FFEDMM COC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1F ZINC000794584515 739906866 /nfs/dbraw/zinc/90/68/66/739906866.db2.gz KCIIQEAZSFANTO-UHFFFAOYSA-N -1 1 363.370 2.871 20 30 FFEDMM C#C[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(Cl)cc1F ZINC000804416209 740870195 /nfs/dbraw/zinc/87/01/95/740870195.db2.gz BYDDZBDQCZXRAW-CYBMUJFWSA-N -1 1 360.801 2.915 20 30 FFEDMM Cc1nn(C)c(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)c1Br ZINC000806558379 741069005 /nfs/dbraw/zinc/06/90/05/741069005.db2.gz BAHRQQWUQJZIAM-AATRIKPKSA-N -1 1 365.183 2.791 20 30 FFEDMM C#CCO[C@H](C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000834705768 745886790 /nfs/dbraw/zinc/88/67/90/745886790.db2.gz NOBOMSGBCGNAEE-MRVPVSSYSA-N -1 1 353.172 2.924 20 30 FFEDMM COc1nc(Br)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000844665037 748070142 /nfs/dbraw/zinc/07/01/42/748070142.db2.gz ABBRNDGYMXWCOA-UHFFFAOYSA-N -1 1 362.249 2.534 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)ccc1Cl ZINC000055572259 845332227 /nfs/dbraw/zinc/33/22/27/845332227.db2.gz ISQIWMNVKMFSLJ-UHFFFAOYSA-N -1 1 352.759 2.503 20 30 FFEDMM C#Cc1cccc(N(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)C(C)C)c1 ZINC001573290201 946896969 /nfs/dbraw/zinc/89/69/69/946896969.db2.gz GQGQUMCXBUTIFX-UHFFFAOYSA-N -1 1 366.812 2.952 20 30 FFEDMM C=CCCO[C@@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001573335718 947487637 /nfs/dbraw/zinc/48/76/37/947487637.db2.gz CONHNQIDSLPVCG-VIFPVBQESA-N -1 1 371.319 2.685 20 30 FFEDMM CSc1nc(C2CC2)cc(C(=O)OCCC(C)(C)C#N)c1-c1nnn[n-]1 ZINC000826231738 947677630 /nfs/dbraw/zinc/67/76/30/947677630.db2.gz XWCBILLPGLZJNO-UHFFFAOYSA-N -1 1 372.454 2.958 20 30 FFEDMM CSc1nc(C2CC2)cc(C(=O)OCCC(C)(C)C#N)c1-c1nn[n-]n1 ZINC000826231738 947677637 /nfs/dbraw/zinc/67/76/37/947677637.db2.gz XWCBILLPGLZJNO-UHFFFAOYSA-N -1 1 372.454 2.958 20 30 FFEDMM CCC[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCN1Cc1ccccc1 ZINC001589638919 949646254 /nfs/dbraw/zinc/64/62/54/949646254.db2.gz HMLQSDCEQYBDDB-FXAWDEMLSA-N -1 1 357.454 2.504 20 30 FFEDMM N#Cc1cc(Cl)nc(-n2[n-]c3c(c2=O)CCN(Cc2ccccc2)C3)c1 ZINC000871955646 1013121835 /nfs/dbraw/zinc/12/18/35/1013121835.db2.gz WWRVYDORBPJVKL-OAHLLOKOSA-N -1 1 365.824 2.831 20 30 FFEDMM Cc1ccc(C)n1C1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1 ZINC001167284196 960705440 /nfs/dbraw/zinc/70/54/40/960705440.db2.gz SQKZDZRTULLZLF-UHFFFAOYSA-N -1 1 350.426 2.562 20 30 FFEDMM N#Cc1ccccc1N1CCC(NC(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000825636412 1013293976 /nfs/dbraw/zinc/29/39/76/1013293976.db2.gz DNFUGTNHBUQAIS-UHFFFAOYSA-N -1 1 355.369 2.507 20 30 FFEDMM COC(=O)[C@H](Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1)C1CCOCC1 ZINC001167400270 962774932 /nfs/dbraw/zinc/77/49/32/962774932.db2.gz LESZKADOOLDNMA-UMXKZIAQSA-N -1 1 360.332 2.894 20 30 FFEDMM N#C[C@@H](C(=O)CC[C@H]1CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000176083597 965406616 /nfs/dbraw/zinc/40/66/16/965406616.db2.gz HFSIJKAGFNFFJK-AAEUAGOBSA-N -1 1 371.462 2.856 20 30 FFEDMM CC(C)c1nc(NS(=O)(=O)c2ccc(CC#N)cc2)sc1C(=O)[O-] ZINC001592030473 976736404 /nfs/dbraw/zinc/73/64/04/976736404.db2.gz PAAZARPNGNVFLN-UHFFFAOYSA-N -1 1 365.436 2.832 20 30 FFEDMM Cc1cccc(CO[N-]C(=O)CCC(=O)N(CCC#N)c2ccccc2)n1 ZINC000898935108 976787888 /nfs/dbraw/zinc/78/78/88/976787888.db2.gz FAYZDICEFYPHDM-UHFFFAOYSA-N -1 1 366.421 2.665 20 30 FFEDMM C=CCOc1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)nc1C#N ZINC001167933699 978171275 /nfs/dbraw/zinc/17/12/75/978171275.db2.gz BKKHDQQRWYBOPQ-UHFFFAOYSA-N -1 1 371.333 2.603 20 30 FFEDMM Cn1cc(CN2CCC3(CN(C(=O)c4ccccc4[S-])C3)C2)cc1C#N ZINC001272013759 979722127 /nfs/dbraw/zinc/72/21/27/979722127.db2.gz QMTASLDQSMGWKV-UHFFFAOYSA-N -1 1 366.490 2.534 20 30 FFEDMM Cc1nc(C2CC2)oc1C([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000760182305 980184469 /nfs/dbraw/zinc/18/44/69/980184469.db2.gz FZEOGOBCQASYKT-CYBMUJFWSA-N -1 1 367.361 2.593 20 30 FFEDMM C=CCC[C@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000909719223 981695227 /nfs/dbraw/zinc/69/52/27/981695227.db2.gz ZEOGFFWFXHMUIK-APWZRJJASA-N -1 1 358.482 2.865 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878154054 1014886568 /nfs/dbraw/zinc/88/65/68/1014886568.db2.gz TZLQPEUYWDYROP-YJBOKZPZSA-N -1 1 350.422 2.527 20 30 FFEDMM CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595009168 982932559 /nfs/dbraw/zinc/93/25/59/982932559.db2.gz FYBGWUBDOXKUIP-ZWNOBZJWSA-N -1 1 355.350 2.847 20 30 FFEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595009168 982932567 /nfs/dbraw/zinc/93/25/67/982932567.db2.gz FYBGWUBDOXKUIP-ZWNOBZJWSA-N -1 1 355.350 2.847 20 30 FFEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ccc(C(N)=O)s1 ZINC000171266266 985254139 /nfs/dbraw/zinc/25/41/39/985254139.db2.gz LRAXUDJCCVLGND-CYBMUJFWSA-N -1 1 363.398 2.961 20 30 FFEDMM C#CCOCCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000762717367 988603688 /nfs/dbraw/zinc/60/36/88/988603688.db2.gz GJZPZEJEIRHSEJ-UHFFFAOYSA-N -1 1 373.430 2.602 20 30 FFEDMM C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611370 992242736 /nfs/dbraw/zinc/24/27/36/992242736.db2.gz ZYSWZSWBXMOXRT-RHSMWYFYSA-N -1 1 369.852 2.542 20 30 FFEDMM COc1cccc2c1n[nH]c2C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000808675901 994219280 /nfs/dbraw/zinc/21/92/80/994219280.db2.gz XCLNQGQTCIEVQF-NSHDSACASA-N -1 1 364.361 2.627 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)c1 ZINC000747615587 994848446 /nfs/dbraw/zinc/84/84/46/994848446.db2.gz BCRFYUQAZCEKKO-FMIVXFBMSA-N -1 1 371.414 2.686 20 30 FFEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1 ZINC000728147946 996150536 /nfs/dbraw/zinc/15/05/36/996150536.db2.gz PHLCBAALDGFAKA-ZDUSSCGKSA-N -1 1 369.446 2.933 20 30 FFEDMM C#CC1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000844050225 997629846 /nfs/dbraw/zinc/62/98/46/997629846.db2.gz XZIJXOXTPKLEAE-UHFFFAOYSA-N -1 1 368.458 2.973 20 30 FFEDMM C#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000733288577 998948730 /nfs/dbraw/zinc/94/87/30/998948730.db2.gz QULSSYUWTJSHRW-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM C#CCCN1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000740922932 999692096 /nfs/dbraw/zinc/69/20/96/999692096.db2.gz DIYRQQFCWRLFOF-UHFFFAOYSA-N -1 1 373.453 2.520 20 30 FFEDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785569273 1001458814 /nfs/dbraw/zinc/45/88/14/1001458814.db2.gz YJFNLVVEIBGZPD-OAHLLOKOSA-N -1 1 359.426 2.735 20 30 FFEDMM N#C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1ccc(F)cc1 ZINC001186428520 1003318000 /nfs/dbraw/zinc/31/80/00/1003318000.db2.gz RGPIDQYKQRWOQB-ZDUSSCGKSA-N -1 1 370.203 2.526 20 30 FFEDMM C=CCc1c(F)c(F)c(C(=O)[N-]c2onc(C)c2C(N)=O)c(F)c1F ZINC001186714228 1003397274 /nfs/dbraw/zinc/39/72/74/1003397274.db2.gz XZWGKMCEXVXXQO-UHFFFAOYSA-N -1 1 357.263 2.619 20 30 FFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186736494 1003401777 /nfs/dbraw/zinc/40/17/77/1003401777.db2.gz FEZSTJZGBKKEEP-LBPRGKRZSA-N -1 1 352.200 2.808 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1[O-] ZINC000804877682 1003884285 /nfs/dbraw/zinc/88/42/85/1003884285.db2.gz UPZOXXJXFGSYFS-QGZVFWFLSA-N -1 1 371.437 2.927 20 30 FFEDMM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)cc1[O-] ZINC001192760312 1004278701 /nfs/dbraw/zinc/27/87/01/1004278701.db2.gz CCSDOTJUHVHFCL-MRXNPFEDSA-N -1 1 353.378 2.560 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(Cl)nc1Br ZINC001193107624 1004376023 /nfs/dbraw/zinc/37/60/23/1004376023.db2.gz YUGGTVBUGVUROM-BYPYZUCNSA-N -1 1 359.032 2.805 20 30 FFEDMM COc1cc([N-]S(=O)(=O)[C@H](C)C#N)c(Cl)cc1Br ZINC001193159023 1004392800 /nfs/dbraw/zinc/39/28/00/1004392800.db2.gz YQFGMPDFVOKCQB-ZCFIWIBFSA-N -1 1 353.625 2.765 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-][C@@H](c2cccnc2)C(F)(F)F)c1 ZINC001193697236 1004558487 /nfs/dbraw/zinc/55/84/87/1004558487.db2.gz VRONIPVWSLOFRC-AWEZNQCLSA-N -1 1 371.340 2.544 20 30 FFEDMM N=C(c1nonc1N)N([O-])C(=O)c1ccccc1-c1cccc(Cl)c1 ZINC001193802614 1004586389 /nfs/dbraw/zinc/58/63/89/1004586389.db2.gz AFIRWWMKHKAGTA-UHFFFAOYSA-N -1 1 357.757 2.829 20 30 FFEDMM CC(=CN=Nc1nc2[nH][n-]cc-2c(=O)n1)Cc1cccc(C(F)(F)F)c1 ZINC000807971829 1004723140 /nfs/dbraw/zinc/72/31/40/1004723140.db2.gz CSWNYMHMZSEAAE-BLVLUUSYSA-N -1 1 362.315 2.952 20 30 FFEDMM N#Cc1cccc(Br)c1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194799195 1004817570 /nfs/dbraw/zinc/81/75/70/1004817570.db2.gz KFCGZZWVIJOONS-UHFFFAOYSA-N -1 1 357.229 2.574 20 30 FFEDMM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cc([O-])cnc1Cl)CC2 ZINC001195299957 1004936070 /nfs/dbraw/zinc/93/60/70/1004936070.db2.gz XAHZYXBASPIGRY-GOSISDBHSA-N -1 1 363.845 2.614 20 30 FFEDMM CC(C)Cn1nc(C(=O)N([O-])C(=N)c2ccccc2N)cc1C(F)(F)F ZINC001199605560 1004983388 /nfs/dbraw/zinc/98/33/88/1004983388.db2.gz OGSWFVDECSMSJN-UHFFFAOYSA-N -1 1 369.347 2.997 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)nc2)cc1C#N ZINC001201295327 1005195457 /nfs/dbraw/zinc/19/54/57/1005195457.db2.gz PXYNZPKCQPQXSK-UHFFFAOYSA-N -1 1 373.434 2.620 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1C#N ZINC001201320404 1005199194 /nfs/dbraw/zinc/19/91/94/1005199194.db2.gz YSSBLMFGYHVRTE-UHFFFAOYSA-N -1 1 355.419 2.942 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)cc1C#N ZINC001201323894 1005199790 /nfs/dbraw/zinc/19/97/90/1005199790.db2.gz QBXIFKMYPFSZOH-UHFFFAOYSA-N -1 1 356.407 2.645 20 30 FFEDMM COC(=O)c1nc2cc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)ccc2o1 ZINC001201323956 1005200037 /nfs/dbraw/zinc/20/00/37/1005200037.db2.gz SDHJYBTVWVKFPO-UHFFFAOYSA-N -1 1 371.374 2.595 20 30 FFEDMM CCCCCCCCCCS(=O)(=O)NCC[N-]C(=O)C(F)(F)F ZINC001201838796 1005277644 /nfs/dbraw/zinc/27/76/44/1005277644.db2.gz QLLZHLRQRMFLAV-UHFFFAOYSA-N -1 1 360.442 2.725 20 30 FFEDMM C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757281 1006171526 /nfs/dbraw/zinc/17/15/26/1006171526.db2.gz BELGZOXSUXAIED-DOMZBBRYSA-N -1 1 364.371 2.700 20 30 FFEDMM Cc1nnsc1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001187876024 1006302621 /nfs/dbraw/zinc/30/26/21/1006302621.db2.gz IPTLEDBKQIMYTE-FRKPEAEDSA-N -1 1 372.435 2.634 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC[C@H]2CNc3cccc1c32 ZINC000814865003 1006453813 /nfs/dbraw/zinc/45/38/13/1006453813.db2.gz MXTXGKVSTLDVJH-NSHDSACASA-N -1 1 372.406 2.580 20 30 FFEDMM O=C1Nc2ccc(C(F)(F)F)cc2C1=NN=c1[n-]c(-c2cccnc2)no1 ZINC000814949659 1006476771 /nfs/dbraw/zinc/47/67/71/1006476771.db2.gz QCMNHMPLVHZVEI-UHFFFAOYSA-N -1 1 374.282 2.919 20 30 FFEDMM O=C1Nc2ccc(C(F)(F)F)cc2C1=NN=c1nc(-c2cccnc2)[n-]o1 ZINC000814949659 1006476778 /nfs/dbraw/zinc/47/67/78/1006476778.db2.gz QCMNHMPLVHZVEI-UHFFFAOYSA-N -1 1 374.282 2.919 20 30 FFEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nnc2ccccc2c1O ZINC000111585029 1006532209 /nfs/dbraw/zinc/53/22/09/1006532209.db2.gz OFOCJQQWVATSLW-UHFFFAOYSA-N -1 1 364.361 2.660 20 30 FFEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cc2)n[nH]1 ZINC001116195435 1032183938 /nfs/dbraw/zinc/18/39/38/1032183938.db2.gz IBCUOECKZMKBTE-UHFFFAOYSA-N -1 1 353.407 2.647 20 30 FFEDMM C#CCN(C(=O)c1ncc(C)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000923687973 1007494613 /nfs/dbraw/zinc/49/46/13/1007494613.db2.gz NZMUFTYGYOOLEY-UHFFFAOYSA-N -1 1 373.453 2.571 20 30 FFEDMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncccc2OCCCC#N)c1 ZINC001136553658 1008536104 /nfs/dbraw/zinc/53/61/04/1008536104.db2.gz KNOMEUGNICJIAY-UHFFFAOYSA-N -1 1 366.377 2.847 20 30 FFEDMM CCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)c1nn[n-]n1 ZINC000136718789 1008549146 /nfs/dbraw/zinc/54/91/46/1008549146.db2.gz LTVXVCCHJOYQQH-QGZVFWFLSA-N -1 1 363.425 2.750 20 30 FFEDMM CCc1ccc(CC(Cc2ccc(Cl)cc2)N=NC2=NCC(=O)[N-]2)nc1 ZINC000863176845 1010121826 /nfs/dbraw/zinc/12/18/26/1010121826.db2.gz FDTYMJZGBWAODJ-UHFFFAOYSA-N -1 1 369.856 2.514 20 30 FFEDMM C#CC[C@H](NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000868444752 1011305791 /nfs/dbraw/zinc/30/57/91/1011305791.db2.gz FDTBKMVWWFLXPH-YOEHRIQHSA-N -1 1 367.371 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FFEDMM C=C[C@](C)(O)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001290933342 1048522619 /nfs/dbraw/zinc/52/26/19/1048522619.db2.gz DREQNRRXWRUCAY-SFHVURJKSA-N -1 1 360.435 2.753 20 30 FFEDMM N#Cc1ccc2nc(NC(=O)c3ccc4c(c3)[n-]c(=S)[nH]c4=O)[nH]c2c1 ZINC001306882785 1052210662 /nfs/dbraw/zinc/21/06/62/1052210662.db2.gz OHCHPEAABRGVCE-UHFFFAOYSA-N -1 1 362.374 2.624 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)CC#Cc2cccnc2)c1 ZINC001345044108 1052218382 /nfs/dbraw/zinc/21/83/82/1052218382.db2.gz APPHAZOLRCPCJK-MQNRADLISA-N -1 1 357.431 2.571 20 30 FFEDMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)ccc2n(C)c1=O ZINC001347529711 1054075699 /nfs/dbraw/zinc/07/56/99/1054075699.db2.gz SNZIZGUJRYPUHQ-UHFFFAOYSA-N -1 1 367.430 2.714 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001356453592 1055512324 /nfs/dbraw/zinc/51/23/24/1055512324.db2.gz MLVHFELWRVPTNS-CQSZACIVSA-N -1 1 356.352 2.729 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@@H](OCC)C1 ZINC001338707885 1055747681 /nfs/dbraw/zinc/74/76/81/1055747681.db2.gz CVCFEBZOJPDABH-CQSZACIVSA-N -1 1 370.457 2.509 20 30 FFEDMM CN(Cc1ccc(C#N)cc1)c1nnc(-c2nc(Cl)n[n-]2)n1CC1CC1 ZINC001351334485 1056204526 /nfs/dbraw/zinc/20/45/26/1056204526.db2.gz YNQYCPGHZZMSCB-UHFFFAOYSA-N -1 1 368.832 2.635 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](C(C)C)C1 ZINC001339499884 1056518334 /nfs/dbraw/zinc/51/83/34/1056518334.db2.gz YQURAKPFJLVPPQ-AWEZNQCLSA-N -1 1 354.458 2.986 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001339639674 1056666471 /nfs/dbraw/zinc/66/64/71/1056666471.db2.gz RLNLMYGFIHMNDS-YGRLFVJLSA-N -1 1 369.256 2.580 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@](C)(OC)C1 ZINC001520271768 1059557521 /nfs/dbraw/zinc/55/75/21/1059557521.db2.gz JPXGKXOIZUHBIS-IBGZPJMESA-N -1 1 370.457 2.509 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC([C@@H]2CCCCO2)CC1 ZINC001515655959 1059735988 /nfs/dbraw/zinc/73/59/88/1059735988.db2.gz ZHUQKNVXBAKTHB-INIZCTEOSA-N -1 1 372.473 2.735 20 30 FFEDMM C#C[C@H]1CCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC(=C)C)C1 ZINC001515916324 1059888572 /nfs/dbraw/zinc/88/85/72/1059888572.db2.gz YFPTTYDWTYACFK-AWEZNQCLSA-N -1 1 364.453 2.744 20 30 FFEDMM C=CCn1c(C2CCC2)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848466711 1060075205 /nfs/dbraw/zinc/07/52/05/1060075205.db2.gz URURANMTAJJJAX-DGCLKSJQSA-N -1 1 371.407 2.767 20 30 FFEDMM C=CC[C@@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2C[C@@H]2CCCCO2)C1 ZINC001516738482 1060212943 /nfs/dbraw/zinc/21/29/43/1060212943.db2.gz DRVAWDKHKVPCTH-CABCVRRESA-N -1 1 372.473 2.735 20 30 FFEDMM Cn1c2cc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)ccc2[nH]c1=O ZINC001517528476 1060540383 /nfs/dbraw/zinc/54/03/83/1060540383.db2.gz MNLPUTYTJOARDX-UHFFFAOYSA-N -1 1 356.407 2.536 20 30 FFEDMM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC001460812199 1061112536 /nfs/dbraw/zinc/11/25/36/1061112536.db2.gz CGWGAHKCRZKQLS-QGZVFWFLSA-N -1 1 363.421 2.540 20 30 FFEDMM N#Cc1ccc(F)c(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001476937676 1061517296 /nfs/dbraw/zinc/51/72/96/1061517296.db2.gz REYMGHFISNIMIL-UHFFFAOYSA-N -1 1 351.341 2.910 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCO[C@@H](CC)C1 ZINC001524288254 1062789899 /nfs/dbraw/zinc/78/98/99/1062789899.db2.gz WOQFENADWMKBPU-LBPRGKRZSA-N -1 1 363.849 2.890 20 30 FFEDMM C[C@@H]1C[C@@H]1[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576093280 1078195270 /nfs/dbraw/zinc/19/52/70/1078195270.db2.gz AESFPMBVERKAJM-MURWCNHISA-N -1 1 366.816 2.991 20 30 FFEDMM C[C@@H]1C[C@@H]1[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576093280 1078195272 /nfs/dbraw/zinc/19/52/72/1078195272.db2.gz AESFPMBVERKAJM-MURWCNHISA-N -1 1 366.816 2.991 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NCc2cccc(F)c2C#N)n1 ZINC001474606684 1065560307 /nfs/dbraw/zinc/56/03/07/1065560307.db2.gz OBEWWGKYKJPXBS-HNNXBMFYSA-N -1 1 359.405 2.869 20 30 FFEDMM C=C1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)C1 ZINC001584283060 1079333176 /nfs/dbraw/zinc/33/31/76/1079333176.db2.gz LFWYLMZBVCOQAI-UHFFFAOYSA-N -1 1 360.410 2.947 20 30 FFEDMM C=C(C)CCC(=O)N[C@@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588415336 1080018591 /nfs/dbraw/zinc/01/85/91/1080018591.db2.gz IXDDAJHBKBKYPH-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=C(C)CCC(=O)N[C@@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588415336 1080018600 /nfs/dbraw/zinc/01/86/00/1080018600.db2.gz IXDDAJHBKBKYPH-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588456387 1080031939 /nfs/dbraw/zinc/03/19/39/1080031939.db2.gz MPQXDVRMLCHYPB-OCAPTIKFSA-N -1 1 351.823 2.692 20 30 FFEDMM C=CCCC(=O)NCC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001588572401 1080103886 /nfs/dbraw/zinc/10/38/86/1080103886.db2.gz HQGCNZODYIWSKR-GFCCVEGCSA-N -1 1 363.491 2.541 20 30 FFEDMM C=CCOc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588689140 1080156368 /nfs/dbraw/zinc/15/63/68/1080156368.db2.gz ZPFXJQQSVBYYGQ-UHFFFAOYSA-N -1 1 367.369 2.534 20 30 FFEDMM C=CCOc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588689140 1080156373 /nfs/dbraw/zinc/15/63/73/1080156373.db2.gz ZPFXJQQSVBYYGQ-UHFFFAOYSA-N -1 1 367.369 2.534 20 30 FFEDMM C=CC[C@@H](C(=O)[O-])N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001588730290 1080173800 /nfs/dbraw/zinc/17/38/00/1080173800.db2.gz QJXFJVJJCHSOLM-AWEZNQCLSA-N -1 1 357.237 2.781 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(C#N)cc2)o1 ZINC001588781439 1080193712 /nfs/dbraw/zinc/19/37/12/1080193712.db2.gz BVUXKUAVMVOWMH-UHFFFAOYSA-N -1 1 350.386 2.761 20 30 FFEDMM C=C(C)C[C@@H](CO)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001588845128 1080215005 /nfs/dbraw/zinc/21/50/05/1080215005.db2.gz UTWOTPDTZCCAHC-ZDUSSCGKSA-N -1 1 350.415 2.796 20 30 FFEDMM C=CCn1nc(C)c(-c2cc(C(=O)N(CCC(=O)[O-])CC(C)C)n[nH]2)c1C ZINC001588913108 1080262100 /nfs/dbraw/zinc/26/21/00/1080262100.db2.gz YJPXJIQUBPYIFA-UHFFFAOYSA-N -1 1 373.457 2.649 20 30 FFEDMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@@H](c2ccccc2)C1 ZINC001590210425 1081094737 /nfs/dbraw/zinc/09/47/37/1081094737.db2.gz TVIKDIMSFPAFNL-QEJZJMRPSA-N -1 1 360.425 2.913 20 30 FFEDMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@@H](c2ccccc2)C1 ZINC001590210425 1081094741 /nfs/dbraw/zinc/09/47/41/1081094741.db2.gz TVIKDIMSFPAFNL-QEJZJMRPSA-N -1 1 360.425 2.913 20 30 FFEDMM N#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC1 ZINC000063477142 507736987 /nfs/dbraw/zinc/73/69/87/507736987.db2.gz MFRABIGGKGQGBF-UHFFFAOYSA-N -1 1 355.419 2.663 20 30 FFEDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2(C#N)CCC2)cc1 ZINC000081594836 508194584 /nfs/dbraw/zinc/19/45/84/508194584.db2.gz JGJRLLHEKOZKBP-UHFFFAOYSA-N -1 1 357.439 2.569 20 30 FFEDMM C=C(C)CN(CC)C(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000104378794 508334008 /nfs/dbraw/zinc/33/40/08/508334008.db2.gz UFNIOWSGNVHEET-UHFFFAOYSA-N -1 1 351.472 2.581 20 30 FFEDMM C=C(C)CN(CC)C(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000104378794 508334009 /nfs/dbraw/zinc/33/40/09/508334009.db2.gz UFNIOWSGNVHEET-UHFFFAOYSA-N -1 1 351.472 2.581 20 30 FFEDMM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157603871 508586494 /nfs/dbraw/zinc/58/64/94/508586494.db2.gz SSJOMMXCLCZRDD-UHFFFAOYSA-N -1 1 371.374 3.000 20 30 FFEDMM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000158195379 508670451 /nfs/dbraw/zinc/67/04/51/508670451.db2.gz VJDQWKFDJPWWRP-UHFFFAOYSA-N -1 1 358.419 2.855 20 30 FFEDMM C[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000125903970 509043054 /nfs/dbraw/zinc/04/30/54/509043054.db2.gz SUZURNRVEYERBI-NSHDSACASA-N -1 1 363.826 2.783 20 30 FFEDMM N#C[C@H](C(=O)Nc1ccccn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155670764 509049944 /nfs/dbraw/zinc/04/99/44/509049944.db2.gz LMFDAXSTRJIHTD-NSHDSACASA-N -1 1 365.418 2.504 20 30 FFEDMM CC#CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000155903608 509089593 /nfs/dbraw/zinc/08/95/93/509089593.db2.gz JLCQJXNNXPVDMU-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM CCSc1cc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccn1 ZINC000188631581 509184211 /nfs/dbraw/zinc/18/42/11/509184211.db2.gz PTFYADPQAWOSCA-UHFFFAOYSA-N -1 1 369.418 2.822 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N(CCC#N)CCC(C)C)c(=O)[n-]1 ZINC000264099260 509329502 /nfs/dbraw/zinc/32/95/02/509329502.db2.gz UBWYNFIAQYEWMM-UHFFFAOYSA-N -1 1 350.488 2.934 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000267212160 509395240 /nfs/dbraw/zinc/39/52/40/509395240.db2.gz FVCFCTPWXDREKF-QGZVFWFLSA-N -1 1 365.437 2.684 20 30 FFEDMM N#Cc1ccc(OC2CCC(NC(=O)c3c([O-])cccc3F)CC2)nc1 ZINC000185909191 509419927 /nfs/dbraw/zinc/41/99/27/509419927.db2.gz ZDSAYWCGLZQNKR-UHFFFAOYSA-N -1 1 355.369 2.918 20 30 FFEDMM Cn1cc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(F)cc2)cn1 ZINC000189222243 509469757 /nfs/dbraw/zinc/46/97/57/509469757.db2.gz OWEDDZYJWYVVSI-GOSISDBHSA-N -1 1 350.353 2.656 20 30 FFEDMM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000267494372 509514927 /nfs/dbraw/zinc/51/49/27/509514927.db2.gz GVQWYPZADYFTDH-UHFFFAOYSA-N -1 1 367.380 2.894 20 30 FFEDMM C=CCCC[C@@H](C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000179778831 509618933 /nfs/dbraw/zinc/61/89/33/509618933.db2.gz XGOUOCUBULOJIN-CQSZACIVSA-N -1 1 354.454 2.934 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1[O-] ZINC000189952307 509850394 /nfs/dbraw/zinc/85/03/94/509850394.db2.gz OJSPQASCZUROPD-UHFFFAOYSA-N -1 1 363.417 2.820 20 30 FFEDMM CCOc1ccc(CN2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000189974829 509862931 /nfs/dbraw/zinc/86/29/31/509862931.db2.gz QOMJHWQHAUYDFS-UHFFFAOYSA-N -1 1 365.433 2.621 20 30 FFEDMM CCN1c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2CCC1=O ZINC000184022810 510091920 /nfs/dbraw/zinc/09/19/20/510091920.db2.gz NFAWNGRSRPWMDW-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000184039739 510100493 /nfs/dbraw/zinc/10/04/93/510100493.db2.gz DQKOSLCNZPSKHJ-ZDUSSCGKSA-N -1 1 358.419 2.711 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1[O-] ZINC000190537186 510191645 /nfs/dbraw/zinc/19/16/45/510191645.db2.gz GDOVLRCBEKDSNH-UHFFFAOYSA-N -1 1 351.284 2.530 20 30 FFEDMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000190694693 510289379 /nfs/dbraw/zinc/28/93/79/510289379.db2.gz ZMJNFPLJWONYDM-CYBMUJFWSA-N -1 1 351.406 2.722 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(c3cncc4ccccc43)CC2)cc1[O-] ZINC000194288731 510297191 /nfs/dbraw/zinc/29/71/91/510297191.db2.gz MBSNNUNZCBDMDP-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2cccnc2)no1 ZINC000187940254 510511773 /nfs/dbraw/zinc/51/17/73/510511773.db2.gz CPZQAVWOFJLQCJ-INIZCTEOSA-N -1 1 363.377 2.836 20 30 FFEDMM C=CCOc1c(Br)cc(CN2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000263402687 510693447 /nfs/dbraw/zinc/69/34/47/510693447.db2.gz IQGOQQPARSVAOD-LBPRGKRZSA-N -1 1 370.243 2.929 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)cc1[O-] ZINC000188381527 510740227 /nfs/dbraw/zinc/74/02/27/510740227.db2.gz PMQAEWOMUZBUNU-HNNXBMFYSA-N -1 1 371.387 2.936 20 30 FFEDMM COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000188426425 510762268 /nfs/dbraw/zinc/76/22/68/510762268.db2.gz CWHHUUAVTREDST-MRXNPFEDSA-N -1 1 351.406 2.671 20 30 FFEDMM C#CCO[N-]C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000291219467 511163277 /nfs/dbraw/zinc/16/32/77/511163277.db2.gz JIQLGMGMHUALAG-CTNGQTDRSA-N -1 1 362.429 2.848 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000322893752 511827860 /nfs/dbraw/zinc/82/78/60/511827860.db2.gz ZCOAPMVSFOBWOU-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000281890115 512001266 /nfs/dbraw/zinc/00/12/66/512001266.db2.gz WGTSCHAGVVGUQU-SWLSCSKDSA-N -1 1 369.259 2.935 20 30 FFEDMM CC[C@@H](CC#N)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000372040270 512689798 /nfs/dbraw/zinc/68/97/98/512689798.db2.gz AGEADZFKJVXVFG-MAUKXSAKSA-N -1 1 365.433 2.958 20 30 FFEDMM CCOC(=O)c1csc(=NC2CCC(Oc3ncccc3C#N)CC2)[n-]1 ZINC000450467123 513209266 /nfs/dbraw/zinc/20/92/66/513209266.db2.gz CFQSWPOYYVNMAU-UHFFFAOYSA-N -1 1 372.450 2.810 20 30 FFEDMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc2o1 ZINC000446782993 513337561 /nfs/dbraw/zinc/33/75/61/513337561.db2.gz CZLQWDIWSIKGNK-UHFFFAOYSA-N -1 1 357.391 2.955 20 30 FFEDMM Cn1c2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2ccc1=O ZINC000447260927 513429615 /nfs/dbraw/zinc/42/96/15/513429615.db2.gz PPQRBCIKAXTBQM-UHFFFAOYSA-N -1 1 373.821 2.864 20 30 FFEDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(F)F ZINC000416491566 513800069 /nfs/dbraw/zinc/80/00/69/513800069.db2.gz YHOLNRTZSORQBT-SECBINFHSA-N -1 1 353.188 2.643 20 30 FFEDMM C=CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000442965433 513830025 /nfs/dbraw/zinc/83/00/25/513830025.db2.gz MKWNYDBDFHJOAK-CQSZACIVSA-N -1 1 374.404 2.629 20 30 FFEDMM N#Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)cc1[O-] ZINC000442970489 513830906 /nfs/dbraw/zinc/83/09/06/513830906.db2.gz VULVJRHVNSPGFF-HNNXBMFYSA-N -1 1 371.393 2.557 20 30 FFEDMM N#C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(Br)c1 ZINC000436703131 513949429 /nfs/dbraw/zinc/94/94/29/513949429.db2.gz COSFVZQEDHNORE-CQSZACIVSA-N -1 1 359.179 2.718 20 30 FFEDMM CC#CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436900346 514026707 /nfs/dbraw/zinc/02/67/07/514026707.db2.gz CIBKTZNUVGCSCB-SFHVURJKSA-N -1 1 350.418 2.680 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1F ZINC000427130402 514125970 /nfs/dbraw/zinc/12/59/70/514125970.db2.gz HZAPXBFGYDHZFG-UHFFFAOYSA-N -1 1 356.281 2.820 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)n(-c2ccncc2)n1 ZINC000437310554 514137711 /nfs/dbraw/zinc/13/77/11/514137711.db2.gz WLSYMGXNHGEQQO-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000427306548 514177933 /nfs/dbraw/zinc/17/79/33/514177933.db2.gz BXXGDBQTYLSHDW-UHFFFAOYSA-N -1 1 374.418 2.682 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F ZINC000424216710 514420642 /nfs/dbraw/zinc/42/06/42/514420642.db2.gz UCWLEGRRSBRMDT-ZCFIWIBFSA-N -1 1 357.151 2.550 20 30 FFEDMM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000508067325 514651838 /nfs/dbraw/zinc/65/18/38/514651838.db2.gz IYDUOOMTENWATJ-GFCCVEGCSA-N -1 1 355.218 2.730 20 30 FFEDMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccccc1CC#N ZINC000475796672 514813309 /nfs/dbraw/zinc/81/33/09/514813309.db2.gz ZALRUFVEYWKRLJ-UHFFFAOYSA-N -1 1 374.418 2.579 20 30 FFEDMM CNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1Cl ZINC000475800219 514815633 /nfs/dbraw/zinc/81/56/33/514815633.db2.gz XMZOLLKTKQEMFJ-UHFFFAOYSA-N -1 1 363.826 2.566 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cccc1NC(=O)N(C)C ZINC000475835384 514831381 /nfs/dbraw/zinc/83/13/81/514831381.db2.gz PWZFYZZPBUXBBU-UHFFFAOYSA-N -1 1 358.423 2.761 20 30 FFEDMM N#Cc1ccc(C(=O)NC2(Cc3cccc(F)c3)CCOCC2)cc1[O-] ZINC000508680407 514863194 /nfs/dbraw/zinc/86/31/94/514863194.db2.gz VFILBXAHVDNBGP-UHFFFAOYSA-N -1 1 354.381 2.925 20 30 FFEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489743028 514958522 /nfs/dbraw/zinc/95/85/22/514958522.db2.gz JXJMESGQGJJVLX-UHFFFAOYSA-N -1 1 364.354 2.595 20 30 FFEDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000503729955 515132612 /nfs/dbraw/zinc/13/26/12/515132612.db2.gz DTVHASMRVOUGFV-UHFFFAOYSA-N -1 1 356.860 2.665 20 30 FFEDMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)n1 ZINC000510020808 515405327 /nfs/dbraw/zinc/40/53/27/515405327.db2.gz OAIGPWSOHROSDM-HNNXBMFYSA-N -1 1 356.382 2.500 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1Cl ZINC000481940632 515521718 /nfs/dbraw/zinc/52/17/18/515521718.db2.gz GDWRGLGQHGWBRQ-UHFFFAOYSA-N -1 1 359.794 2.854 20 30 FFEDMM C[C@@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1cccc(C#N)c1 ZINC000486853676 515660617 /nfs/dbraw/zinc/66/06/17/515660617.db2.gz IKMSAKJYWMGASD-LLVKDONJSA-N -1 1 361.398 2.811 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1[O-] ZINC000506099045 515779285 /nfs/dbraw/zinc/77/92/85/515779285.db2.gz YIHDHLACXNUXLX-SFHVURJKSA-N -1 1 359.385 2.597 20 30 FFEDMM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000487312654 515824368 /nfs/dbraw/zinc/82/43/68/515824368.db2.gz IREIIJPMNKXQCP-UHFFFAOYSA-N -1 1 374.418 2.691 20 30 FFEDMM N#Cc1ccccc1CSCCNC(=O)c1csc(=NC2CC2)[n-]1 ZINC000494817679 515972901 /nfs/dbraw/zinc/97/29/01/515972901.db2.gz GOJZKTVORLVUHI-UHFFFAOYSA-N -1 1 358.492 2.674 20 30 FFEDMM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)CC3 ZINC000561530523 516633879 /nfs/dbraw/zinc/63/38/79/516633879.db2.gz XNFBJSGMQFBBGG-GFCCVEGCSA-N -1 1 355.419 2.777 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2ccn(C)c(=O)c2c1 ZINC000551473649 516722425 /nfs/dbraw/zinc/72/24/25/516722425.db2.gz OTZJUORDDPOMNW-UHFFFAOYSA-N -1 1 353.403 2.519 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc3cc(Cl)ccc3s2)o1 ZINC000553427101 517708201 /nfs/dbraw/zinc/70/82/01/517708201.db2.gz TZTZTFSHDVZDDB-UHFFFAOYSA-N -1 1 367.839 2.935 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)nc2)o1 ZINC000553480360 517736560 /nfs/dbraw/zinc/73/65/60/517736560.db2.gz NVEJRJSRXKQPBH-UHFFFAOYSA-N -1 1 361.423 2.736 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c1 ZINC000589175057 518940574 /nfs/dbraw/zinc/94/05/74/518940574.db2.gz DOHGEUVUHLTRJK-UHFFFAOYSA-N -1 1 367.430 2.705 20 30 FFEDMM N#CC1(CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1 ZINC000574116165 518993206 /nfs/dbraw/zinc/99/32/06/518993206.db2.gz NEJLNXADNIMGMN-UHFFFAOYSA-N -1 1 371.343 2.956 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)o1 ZINC000577271445 518998966 /nfs/dbraw/zinc/99/89/66/518998966.db2.gz LRTCGILOZHSNON-SNVBAGLBSA-N -1 1 359.190 2.870 20 30 FFEDMM C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000597618050 520138891 /nfs/dbraw/zinc/13/88/91/520138891.db2.gz YVWIFZQUWFNZLB-LJQANCHMSA-N -1 1 373.497 2.597 20 30 FFEDMM N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000609068948 520185325 /nfs/dbraw/zinc/18/53/25/520185325.db2.gz ATBJCBATLLUVAP-UHFFFAOYSA-N -1 1 368.317 2.659 20 30 FFEDMM N#C[C@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CCN1Cc1ccccc1 ZINC000601176493 520672236 /nfs/dbraw/zinc/67/22/36/520672236.db2.gz JGBAAXAJLJAUSG-KRWDZBQOSA-N -1 1 369.852 2.825 20 30 FFEDMM CN1Cc2c(cccc2[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1=O ZINC000593213955 520834565 /nfs/dbraw/zinc/83/45/65/520834565.db2.gz BTJZYGOGTFJPSJ-UHFFFAOYSA-N -1 1 369.446 2.874 20 30 FFEDMM N#Cc1c([N-]C(=O)c2nc3ncccn3n2)sc2c1CCCCCC2 ZINC000598809193 520852645 /nfs/dbraw/zinc/85/26/45/520852645.db2.gz VCCUVLISNIIZQM-UHFFFAOYSA-N -1 1 352.423 2.969 20 30 FFEDMM CN1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000614304872 520899570 /nfs/dbraw/zinc/89/95/70/520899570.db2.gz VYHABTSJDASWNT-ZWKOTPCHSA-N -1 1 357.360 2.717 20 30 FFEDMM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(C(C)C)no3)sc2C1 ZINC000598888607 520903040 /nfs/dbraw/zinc/90/30/40/520903040.db2.gz MTKMRCXTIQOYTB-UHFFFAOYSA-N -1 1 358.423 2.888 20 30 FFEDMM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596296061 521014892 /nfs/dbraw/zinc/01/48/92/521014892.db2.gz FJLKIVISGZLPQI-NSHDSACASA-N -1 1 364.858 2.850 20 30 FFEDMM CO[C@@H](C)c1nc(=NC2CCN(Cc3cccc(C#N)c3)CC2)s[n-]1 ZINC000593514499 521041502 /nfs/dbraw/zinc/04/15/02/521041502.db2.gz DDDHIUUUXXBQBV-ZDUSSCGKSA-N -1 1 357.483 2.616 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(CC(=O)OC)c2)n1 ZINC000614612819 521049877 /nfs/dbraw/zinc/04/98/77/521049877.db2.gz KUURVQAIECKJGS-CYBMUJFWSA-N -1 1 372.402 2.525 20 30 FFEDMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)o2)CCCCCC1 ZINC000593642586 521126387 /nfs/dbraw/zinc/12/63/87/521126387.db2.gz WCBZOBZEQBICOK-UHFFFAOYSA-N -1 1 368.455 2.864 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)c(F)c1 ZINC000618717287 521197444 /nfs/dbraw/zinc/19/74/44/521197444.db2.gz WPIHSLURCOCYRI-MRXNPFEDSA-N -1 1 364.373 2.811 20 30 FFEDMM N#C[C@@]1(F)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000615606559 521468183 /nfs/dbraw/zinc/46/81/83/521468183.db2.gz HMAKCKCLWWQQOR-SFHVURJKSA-N -1 1 373.409 2.565 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1NC(C)=O ZINC000619461672 521579552 /nfs/dbraw/zinc/57/95/52/521579552.db2.gz NOOHZZGFNVHYOS-UHFFFAOYSA-N -1 1 359.407 2.520 20 30 FFEDMM COc1nnc([N-]C(=O)c2occc2COc2cccc(C#N)c2)s1 ZINC000616030190 521607601 /nfs/dbraw/zinc/60/76/01/521607601.db2.gz XBIZDJXUDOOMKU-UHFFFAOYSA-N -1 1 356.363 2.843 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000619729368 521840260 /nfs/dbraw/zinc/84/02/60/521840260.db2.gz VGKGACVCMDGPLO-OAHLLOKOSA-N -1 1 350.422 2.816 20 30 FFEDMM C=CCC[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000632048972 521851609 /nfs/dbraw/zinc/85/16/09/521851609.db2.gz XTESPOWKKCJPMB-CYBMUJFWSA-N -1 1 353.348 2.975 20 30 FFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000620314966 522174748 /nfs/dbraw/zinc/17/47/48/522174748.db2.gz WEVCTBPONSFFFH-IYBDPMFKSA-N -1 1 350.422 2.805 20 30 FFEDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)c[nH]1 ZINC000625072130 523143934 /nfs/dbraw/zinc/14/39/34/523143934.db2.gz CFUFOMBSLKOWNE-UHFFFAOYSA-N -1 1 372.427 2.975 20 30 FFEDMM Cc1cc(Br)c([O-])c(NC(=O)CNc2ccc(C#N)cn2)c1 ZINC000482644219 561257444 /nfs/dbraw/zinc/25/74/44/561257444.db2.gz XFRHANOTNCDJGO-UHFFFAOYSA-N -1 1 361.199 2.780 20 30 FFEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794900263 602073949 /nfs/dbraw/zinc/07/39/49/602073949.db2.gz YRVFSSVURNQWDA-NSHDSACASA-N -1 1 359.338 2.901 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000740130519 602793797 /nfs/dbraw/zinc/79/37/97/602793797.db2.gz OCLJFEIUHGQSAM-BQFCYCMXSA-N -1 1 372.469 2.608 20 30 FFEDMM CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000827589384 604220957 /nfs/dbraw/zinc/22/09/57/604220957.db2.gz IXFBLLPNUCCDIE-CQSZACIVSA-N -1 1 355.350 2.571 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825254409 604225475 /nfs/dbraw/zinc/22/54/75/604225475.db2.gz MQPFSVDBYMTELF-BBWFWOEESA-N -1 1 372.469 2.690 20 30 FFEDMM C=CCN1C(=O)N=NC1S[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000833380777 605262878 /nfs/dbraw/zinc/26/28/78/605262878.db2.gz PAKWZVOFLQOXKW-NSHDSACASA-N -1 1 373.356 2.977 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833402498 605598377 /nfs/dbraw/zinc/59/83/77/605598377.db2.gz ODRUJUMNTMWTOF-JTQLQIEISA-N -1 1 364.354 2.616 20 30 FFEDMM C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1Cl ZINC000833377976 605727587 /nfs/dbraw/zinc/72/75/87/605727587.db2.gz UBWDEQRTZQJLJE-HIFRSBDPSA-N -1 1 367.829 2.743 20 30 FFEDMM N#C[C@H](C(=O)[C@@H](CC(F)F)NC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000833961824 606084877 /nfs/dbraw/zinc/08/48/77/606084877.db2.gz XMBJBKAQDAJENM-VXNVDRBHSA-N -1 1 372.278 2.899 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(N2CCOC2=O)c1 ZINC000822924267 606391370 /nfs/dbraw/zinc/39/13/70/606391370.db2.gz ZRECKUAUBQXQFF-GQCTYLIASA-N -1 1 367.390 2.781 20 30 FFEDMM Cc1cc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cnc1Cl ZINC000822198809 607148831 /nfs/dbraw/zinc/14/88/31/607148831.db2.gz KYOQMGMKXGISTL-UHFFFAOYSA-N -1 1 360.809 2.856 20 30 FFEDMM Cc1cc(C)n(N=Cc2cccc(-c3cccnc3)c2)c(=O)c1-c1nn[n-]n1 ZINC000822199077 607171260 /nfs/dbraw/zinc/17/12/60/607171260.db2.gz VTPUIQCSOKIAAI-UHFFFAOYSA-N -1 1 371.404 2.589 20 30 FFEDMM COc1cc(Cl)c(CN=Nc2oc(C)nc2-c2nn[n-]n2)cc1Cl ZINC000826179772 607816208 /nfs/dbraw/zinc/81/62/08/607816208.db2.gz DETBIYZUPDRKCF-UHFFFAOYSA-N -1 1 368.184 2.925 20 30 FFEDMM O=C(C=Cc1ccc(-n2cncn2)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400190 608092891 /nfs/dbraw/zinc/09/28/91/608092891.db2.gz ROSLRCOUIJKHPR-RQOWECAXSA-N -1 1 367.369 2.544 20 30 FFEDMM O=C(C=Cc1ccc(-n2cncn2)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400190 608092892 /nfs/dbraw/zinc/09/28/92/608092892.db2.gz ROSLRCOUIJKHPR-RQOWECAXSA-N -1 1 367.369 2.544 20 30 FFEDMM CC(C)(C#N)CCCNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824059119 609278212 /nfs/dbraw/zinc/27/82/12/609278212.db2.gz NDOUWONOJDNTOY-UHFFFAOYSA-N -1 1 354.393 2.933 20 30 FFEDMM COc1ccc(O)cc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826210208 609517782 /nfs/dbraw/zinc/51/77/82/609517782.db2.gz IYYWJLWPSBEKHK-UHFFFAOYSA-N -1 1 357.374 2.528 20 30 FFEDMM C#CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000022762497 727840172 /nfs/dbraw/zinc/84/01/72/727840172.db2.gz PBWZWCSHIYBYSD-UHFFFAOYSA-N -1 1 362.838 2.812 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000746492742 735488149 /nfs/dbraw/zinc/48/81/49/735488149.db2.gz WHWHAGJFCDTMQX-UHFFFAOYSA-N -1 1 369.349 2.717 20 30 FFEDMM COc1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1C#N ZINC000747069481 735529656 /nfs/dbraw/zinc/52/96/56/735529656.db2.gz FKSDAGMJEKMGTG-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM C#C[C@@H](Cc1ccccc1)OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000120592038 728613094 /nfs/dbraw/zinc/61/30/94/728613094.db2.gz CUBDIESGGWWVBZ-HNNXBMFYSA-N -1 1 356.447 2.521 20 30 FFEDMM COc1cc(C(=O)/C=C/c2ccc([O-])c(F)c2)ccc1S(C)(=O)=O ZINC000121145426 728621359 /nfs/dbraw/zinc/62/13/59/728621359.db2.gz QXSOXCWXZYSUSO-ZZXKWVIFSA-N -1 1 350.367 2.840 20 30 FFEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCOCC3)nc2)n1 ZINC000747194043 735542323 /nfs/dbraw/zinc/54/23/23/735542323.db2.gz RCJKVXFANOEFSD-CQSZACIVSA-N -1 1 356.451 2.988 20 30 FFEDMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000130256133 728716288 /nfs/dbraw/zinc/71/62/88/728716288.db2.gz LLVGJHSNMBSBDJ-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000185288276 729346011 /nfs/dbraw/zinc/34/60/11/729346011.db2.gz PEBKDVYXGJABJN-OAHLLOKOSA-N -1 1 356.447 2.856 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)o1 ZINC000193338243 729475390 /nfs/dbraw/zinc/47/53/90/729475390.db2.gz WVGDVMMOZFJZSV-OIYOBHNRSA-N -1 1 356.765 2.754 20 30 FFEDMM COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866357488 731051825 /nfs/dbraw/zinc/05/18/25/731051825.db2.gz HZVYISHIWDWJKP-GFCCVEGCSA-N -1 1 360.435 2.990 20 30 FFEDMM C=CCCc1ccccc1NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000879495201 732711851 /nfs/dbraw/zinc/71/18/51/732711851.db2.gz CNHRNVADZYEGQI-UHFFFAOYSA-N -1 1 355.360 2.947 20 30 FFEDMM CCOc1c(Cl)cccc1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000782198894 738697207 /nfs/dbraw/zinc/69/72/07/738697207.db2.gz MPPULKJLONDXSD-UHFFFAOYSA-N -1 1 363.826 2.811 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)Nc2cccc(OC)c2)c1 ZINC000726736872 734442198 /nfs/dbraw/zinc/44/21/98/734442198.db2.gz XKSJOKNQUWZXCI-UHFFFAOYSA-N -1 1 359.407 2.508 20 30 FFEDMM C=CC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccncc1 ZINC000734235160 734885119 /nfs/dbraw/zinc/88/51/19/734885119.db2.gz XZCORIZUVUWEBF-HNNXBMFYSA-N -1 1 358.467 2.974 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)c1 ZINC000928356961 738860041 /nfs/dbraw/zinc/86/00/41/738860041.db2.gz IGUBZOJHMUEEJP-CQSZACIVSA-N -1 1 373.210 2.794 20 30 FFEDMM Cc1[nH]c2ccccc2c1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748253504 735630698 /nfs/dbraw/zinc/63/06/98/735630698.db2.gz OLQSOONJTYOINY-UHFFFAOYSA-N -1 1 358.379 2.697 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000748255013 735630804 /nfs/dbraw/zinc/63/08/04/735630804.db2.gz KFTNDNWEHALLSL-UHFFFAOYSA-N -1 1 351.359 2.827 20 30 FFEDMM C=C(C)CN(CC)C(=O)COC(=O)c1ccc(Br)c([O-])c1 ZINC000750551258 735800425 /nfs/dbraw/zinc/80/04/25/735800425.db2.gz KUQBFHMBTVEQRO-UHFFFAOYSA-N -1 1 356.216 2.736 20 30 FFEDMM N#CCOc1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765765458 737155705 /nfs/dbraw/zinc/15/57/05/737155705.db2.gz RSUHPUZUTZALLE-UHFFFAOYSA-N -1 1 361.195 2.987 20 30 FFEDMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000767735837 737361912 /nfs/dbraw/zinc/36/19/12/737361912.db2.gz UUIYMIHRRWCACL-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM [O-]c1c(Br)cccc1C=NNC(=S)Nc1ccccn1 ZINC000767806759 737370166 /nfs/dbraw/zinc/37/01/66/737370166.db2.gz SZUXKQKBHJCWJU-UHFFFAOYSA-N -1 1 351.229 2.870 20 30 FFEDMM N#CCCCC[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914062704 737497616 /nfs/dbraw/zinc/49/76/16/737497616.db2.gz IZXSRLYODYMSNX-JOCHJYFZSA-N -1 1 369.390 2.562 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000769645045 737549652 /nfs/dbraw/zinc/54/96/52/737549652.db2.gz RJYXPSJHELLIIV-CYBMUJFWSA-N -1 1 360.410 2.720 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000769658670 737550843 /nfs/dbraw/zinc/55/08/43/737550843.db2.gz PSUPGCZBSXYUQA-OAHLLOKOSA-N -1 1 356.447 2.890 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cscc2Cl)cc1 ZINC000771885371 737763745 /nfs/dbraw/zinc/76/37/45/737763745.db2.gz WYMUEWSDMIHUPQ-UHFFFAOYSA-N -1 1 359.816 2.763 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000776345446 738185087 /nfs/dbraw/zinc/18/50/87/738185087.db2.gz DUFSEIWJRAOFOD-OAHLLOKOSA-N -1 1 350.296 2.746 20 30 FFEDMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000793382920 739775612 /nfs/dbraw/zinc/77/56/12/739775612.db2.gz VVOJAIQHCYDOKN-UHFFFAOYSA-N -1 1 363.370 2.701 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c1 ZINC000794576506 739906350 /nfs/dbraw/zinc/90/63/50/739906350.db2.gz KVTWFYPUEIJWGZ-UHFFFAOYSA-N -1 1 355.419 2.680 20 30 FFEDMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000794582680 739907265 /nfs/dbraw/zinc/90/72/65/739907265.db2.gz XZOLDUXLMBHRMH-UHFFFAOYSA-N -1 1 359.407 2.756 20 30 FFEDMM C[C@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805785313 741009201 /nfs/dbraw/zinc/00/92/01/741009201.db2.gz GDUNQXSVMNYIPS-XEZPLFJOSA-N -1 1 356.363 2.955 20 30 FFEDMM C#CCSCCNC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836738485 746294617 /nfs/dbraw/zinc/29/46/17/746294617.db2.gz LTEINLKLMGOFPT-UHFFFAOYSA-N -1 1 373.400 2.661 20 30 FFEDMM C#CC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)OC ZINC000843906660 747925578 /nfs/dbraw/zinc/92/55/78/747925578.db2.gz QGQADEAKFVRYKY-SNVBAGLBSA-N -1 1 350.148 2.766 20 30 FFEDMM CSCCNC(=S)NN=C(C)c1ccc([O-])c(Br)c1 ZINC000844587517 748055974 /nfs/dbraw/zinc/05/59/74/748055974.db2.gz CEJNOEKYRRVZGM-UHFFFAOYSA-N -1 1 362.318 2.706 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(-n3ccnc3)cs2)o1 ZINC000824352539 946667771 /nfs/dbraw/zinc/66/77/71/946667771.db2.gz HTESYLYPLBDVFX-UHFFFAOYSA-N -1 1 369.414 2.671 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)NC[C@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573306826 947175553 /nfs/dbraw/zinc/17/55/53/947175553.db2.gz NJSPKAOEOYOTDQ-ZBEGNZNMSA-N -1 1 363.491 2.541 20 30 FFEDMM C=C[C@H](CC(=O)N(C)c1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001573316436 947274366 /nfs/dbraw/zinc/27/43/66/947274366.db2.gz GZRYIVJBKKRISF-GFCCVEGCSA-N -1 1 354.439 2.954 20 30 FFEDMM C=C[C@H](CC(=O)N(C)c1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001573316436 947274376 /nfs/dbraw/zinc/27/43/76/947274376.db2.gz GZRYIVJBKKRISF-GFCCVEGCSA-N -1 1 354.439 2.954 20 30 FFEDMM C=CCCC(=O)N[C@H](CNc1snc(C)c1-c1nn[n-]n1)C(C)(C)C ZINC001573327465 947391138 /nfs/dbraw/zinc/39/11/38/947391138.db2.gz GDBPOOYMIYJGBE-LLVKDONJSA-N -1 1 363.491 2.541 20 30 FFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCC(C)(C)C#N ZINC000826340598 947977167 /nfs/dbraw/zinc/97/71/67/947977167.db2.gz DOKWMSGFBMWAOE-UHFFFAOYSA-N -1 1 354.370 2.656 20 30 FFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCC(C)(C)C#N ZINC000826340598 947977170 /nfs/dbraw/zinc/97/71/70/947977170.db2.gz DOKWMSGFBMWAOE-UHFFFAOYSA-N -1 1 354.370 2.656 20 30 FFEDMM CN1CCN(c2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc2C#N)CC1 ZINC001175157090 1013394402 /nfs/dbraw/zinc/39/44/02/1013394402.db2.gz DBXYUANPJUEECL-UHFFFAOYSA-N -1 1 354.385 2.891 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(Cl)n(C)nc2-c2ccccc2)c(=O)o1 ZINC000255892920 969498883 /nfs/dbraw/zinc/49/88/83/969498883.db2.gz UJBZDAKIPGGOOP-QWGSZXSUSA-N -1 1 370.792 2.969 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(C)C ZINC001211689113 975246214 /nfs/dbraw/zinc/24/62/14/975246214.db2.gz MSGGNJLRMWZUMG-JTQLQIEISA-N -1 1 364.236 2.533 20 30 FFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)cc1 ZINC000128492075 977031025 /nfs/dbraw/zinc/03/10/25/977031025.db2.gz MPRIDQLNLYUGNM-QGZVFWFLSA-N -1 1 359.389 2.791 20 30 FFEDMM C[C@H](CN(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1)C(=O)[O-] ZINC001592592662 978520521 /nfs/dbraw/zinc/52/05/21/978520521.db2.gz NEUFISVTXOPSDL-OAHLLOKOSA-N -1 1 351.406 2.720 20 30 FFEDMM CC1CC(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC001213213318 981270972 /nfs/dbraw/zinc/27/09/72/981270972.db2.gz DXMIKTBINGVTPY-UHFFFAOYSA-N -1 1 361.236 2.784 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878154044 1014886292 /nfs/dbraw/zinc/88/62/92/1014886292.db2.gz TZLQPEUYWDYROP-CRAIPNDOSA-N -1 1 350.422 2.527 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1[O-] ZINC000912183377 983975911 /nfs/dbraw/zinc/97/59/11/983975911.db2.gz ZSZCNVFZRZACII-MOPGFXCFSA-N -1 1 350.418 2.862 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)o1 ZINC000764914565 984801038 /nfs/dbraw/zinc/80/10/38/984801038.db2.gz GBYASAVAZJVNSN-CGQZWFTASA-N -1 1 356.374 2.870 20 30 FFEDMM C#CC1(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCCC1 ZINC000922212181 988155847 /nfs/dbraw/zinc/15/58/47/988155847.db2.gz DBMPBTSJSGDMQI-UHFFFAOYSA-N -1 1 350.422 2.547 20 30 FFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000766034512 989297105 /nfs/dbraw/zinc/29/71/05/989297105.db2.gz QHUZTURHTQKIJJ-GORDUTHDSA-N -1 1 358.262 2.803 20 30 FFEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C(N)=O)cs1 ZINC000920109258 990794696 /nfs/dbraw/zinc/79/46/96/990794696.db2.gz NDHOGZHMFWYMOG-CQSZACIVSA-N -1 1 369.446 2.933 20 30 FFEDMM CC(C)[C@H](C#N)N1CCN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001590952420 991012356 /nfs/dbraw/zinc/01/23/56/991012356.db2.gz DDRBSVZHFRYKHS-JKSUJKDBSA-N -1 1 369.387 2.997 20 30 FFEDMM C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593286488 994646124 /nfs/dbraw/zinc/64/61/24/994646124.db2.gz UGFQHMUQTGSNHV-CZUORRHYSA-N -1 1 353.378 2.888 20 30 FFEDMM COC(=O)c1ccc(-c2ccc(CN3CCC(C#N)(C(=O)[O-])CC3)o2)cc1 ZINC001598956679 998255074 /nfs/dbraw/zinc/25/50/74/998255074.db2.gz MEEPLSUJWQMEHT-UHFFFAOYSA-N -1 1 368.389 2.924 20 30 FFEDMM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)o1 ZINC000732900817 998818439 /nfs/dbraw/zinc/81/84/39/998818439.db2.gz CBBQKNGSDYAHIB-ZDUSSCGKSA-N -1 1 371.418 2.664 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)ccc1C#N ZINC000766547298 1000011594 /nfs/dbraw/zinc/01/15/94/1000011594.db2.gz JAQJGXPMAUCKDA-UHFFFAOYSA-N -1 1 371.418 2.933 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000768309564 1000204370 /nfs/dbraw/zinc/20/43/70/1000204370.db2.gz SEXALUNVOORNHG-HXUWFJFHSA-N -1 1 371.437 2.879 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1nc(Cl)ccc1Br ZINC001148028842 1001027803 /nfs/dbraw/zinc/02/78/03/1001027803.db2.gz TXRCNHILDXPBJO-UHFFFAOYSA-N -1 1 369.606 2.937 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)C1 ZINC000785613115 1001462432 /nfs/dbraw/zinc/46/24/32/1001462432.db2.gz MNHJBEXYYHYHOX-INIZCTEOSA-N -1 1 371.437 2.878 20 30 FFEDMM CCc1nc2cccc(F)c2n1CC(=O)N([O-])C(=N)c1ccccc1N ZINC001185007739 1002776724 /nfs/dbraw/zinc/77/67/24/1002776724.db2.gz OOMSXXGBGUQHCI-UHFFFAOYSA-N -1 1 355.373 2.563 20 30 FFEDMM COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2C#N)cc1C(=O)[O-] ZINC001185307637 1002907749 /nfs/dbraw/zinc/90/77/49/1002907749.db2.gz WNAHGIIEPGFOPL-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM CCOC(=O)C(F)(F)CNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196320848 1003741309 /nfs/dbraw/zinc/74/13/09/1003741309.db2.gz RCTUQPAWXJSBQB-UHFFFAOYSA-N -1 1 374.343 2.859 20 30 FFEDMM CCOC(=O)CC(=N)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196321134 1003741571 /nfs/dbraw/zinc/74/15/71/1003741571.db2.gz VJKVTJBKEYGAJX-UHFFFAOYSA-N -1 1 351.362 2.591 20 30 FFEDMM CN(C(=O)CCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)C1CC1 ZINC001196321370 1003742376 /nfs/dbraw/zinc/74/23/76/1003742376.db2.gz ZLNUBQMRXPFJPF-UHFFFAOYSA-N -1 1 363.417 2.672 20 30 FFEDMM N#Cc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc([O-])cc2)cn1 ZINC001191518296 1003863197 /nfs/dbraw/zinc/86/31/97/1003863197.db2.gz PLSUNMLRYDXSAM-UHFFFAOYSA-N -1 1 357.369 2.820 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)cc1C#N ZINC001192266828 1004110806 /nfs/dbraw/zinc/11/08/06/1004110806.db2.gz XSUYAYPLBXNCCS-UHFFFAOYSA-N -1 1 370.390 2.726 20 30 FFEDMM C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1cc([O-])cc(F)c1F)CC2 ZINC001192664125 1004243224 /nfs/dbraw/zinc/24/32/24/1004243224.db2.gz KTSZSRLKVAVWKH-IBGZPJMESA-N -1 1 364.392 2.844 20 30 FFEDMM C=CC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)C(=O)OC ZINC001197546518 1004267121 /nfs/dbraw/zinc/26/71/21/1004267121.db2.gz ITRALLVNTCRFCM-LBPRGKRZSA-N -1 1 352.239 2.531 20 30 FFEDMM O=C([O-])c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1 ZINC000806558764 1004361282 /nfs/dbraw/zinc/36/12/82/1004361282.db2.gz KZLWRCDYYXIFNW-UTCJRWHESA-N -1 1 358.262 2.803 20 30 FFEDMM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)c([N+](=O)[O-])cc1OC ZINC000806558561 1004361698 /nfs/dbraw/zinc/36/16/98/1004361698.db2.gz GGFJTXNJONZXTI-XQRVVYSFSA-N -1 1 373.317 2.912 20 30 FFEDMM N#Cc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1[O-] ZINC001193515554 1004508660 /nfs/dbraw/zinc/50/86/60/1004508660.db2.gz OHHWXFPUFHDTRU-UHFFFAOYSA-N -1 1 360.417 2.552 20 30 FFEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cnc(F)c(OC(C)C)c1 ZINC001199721980 1005013940 /nfs/dbraw/zinc/01/39/40/1005013940.db2.gz HULLUTNHBLPAJG-UHFFFAOYSA-N -1 1 363.370 2.980 20 30 FFEDMM Cc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001199784369 1005027836 /nfs/dbraw/zinc/02/78/36/1005027836.db2.gz KKBAJCMNKNISFY-UHFFFAOYSA-N -1 1 354.288 2.554 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Br)o1 ZINC001201059446 1005161884 /nfs/dbraw/zinc/16/18/84/1005161884.db2.gz MHXPEVMPWGGHMF-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C3(C)C)cc1C#N ZINC001201319855 1005199139 /nfs/dbraw/zinc/19/91/39/1005199139.db2.gz LBIFDOAOGJNWEM-UHFFFAOYSA-N -1 1 355.419 2.897 20 30 FFEDMM CCCCCCCCCCS(=O)(=O)[N-][C@@H](CO)C(=O)OC(C)(C)C ZINC001201836660 1005277175 /nfs/dbraw/zinc/27/71/75/1005277175.db2.gz CEXSSSQQLAFUJC-HNNXBMFYSA-N -1 1 365.536 2.749 20 30 FFEDMM N#C[C@]1(c2ccccn2)CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000852329567 1005981185 /nfs/dbraw/zinc/98/11/85/1005981185.db2.gz DHRJMTPSFZMONM-OAQYLSRUSA-N -1 1 361.401 2.951 20 30 FFEDMM CN(C)c1cc(C#N)cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000814574155 1006351309 /nfs/dbraw/zinc/35/13/09/1006351309.db2.gz XSICCBHUWVSOMZ-UHFFFAOYSA-N -1 1 364.357 2.793 20 30 FFEDMM COc1cccc([C@@]2(C)NC(=O)N(N=Cc3cccc([O-])c3Cl)C2=O)c1 ZINC000814755793 1006425206 /nfs/dbraw/zinc/42/52/06/1006425206.db2.gz FVHLMBWENFVREB-GOSISDBHSA-N -1 1 373.796 2.855 20 30 FFEDMM CC(N=Nc1ccnc(N(C)C)n1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814855167 1006457805 /nfs/dbraw/zinc/45/78/05/1006457805.db2.gz HEBSBZGYJHZXNO-UHFFFAOYSA-N -1 1 357.414 2.622 20 30 FFEDMM CC(=NN[C@H]1CCOC1)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814917840 1006474619 /nfs/dbraw/zinc/47/46/19/1006474619.db2.gz SXHAUVSAAQLSLI-INIZCTEOSA-N -1 1 373.478 2.898 20 30 FFEDMM N#CCCOCCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000815179476 1006532543 /nfs/dbraw/zinc/53/25/43/1006532543.db2.gz UAWWCNHTWKQSCV-UHFFFAOYSA-N -1 1 374.418 2.574 20 30 FFEDMM N#Cc1ccc(-c2ccc(C(=O)Nc3[n-]c(=O)nc4nc[nH]c43)cc2)cc1F ZINC001188711102 1006678665 /nfs/dbraw/zinc/67/86/65/1006678665.db2.gz CSJOFLPVLDJUOZ-UHFFFAOYSA-N -1 1 374.335 2.989 20 30 FFEDMM C=CCCO[N-]C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000856035238 1007671388 /nfs/dbraw/zinc/67/13/88/1007671388.db2.gz ZHYHEDGSKJECAJ-UHFFFAOYSA-N -1 1 373.478 2.813 20 30 FFEDMM Cc1nc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190615751 1007703083 /nfs/dbraw/zinc/70/30/83/1007703083.db2.gz BBKYIYGSIXXLLH-UHFFFAOYSA-N -1 1 361.185 2.903 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OCc2ccccn2)c(=O)o1 ZINC000819840364 1008237995 /nfs/dbraw/zinc/23/79/95/1008237995.db2.gz NMLPUXDTQLCKJM-QJRAZLAKSA-N -1 1 363.369 2.889 20 30 FFEDMM Cc1ccc(COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1C#N ZINC000859543865 1008553683 /nfs/dbraw/zinc/55/36/83/1008553683.db2.gz PPOZSNRAMBKCSC-UHFFFAOYSA-N -1 1 350.378 2.518 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N([O-])C(=N)c1ccccc1N ZINC001179645261 1009381317 /nfs/dbraw/zinc/38/13/17/1009381317.db2.gz CEANHEMWGXFUJP-SFHVURJKSA-N -1 1 362.430 2.602 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)Cc1ccccc1OC(F)(F)F ZINC001179916896 1009508334 /nfs/dbraw/zinc/50/83/34/1009508334.db2.gz MMHOIELYMVKJIH-UHFFFAOYSA-N -1 1 353.300 2.953 20 30 FFEDMM CC(C)(C)OCC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001180318812 1009629269 /nfs/dbraw/zinc/62/92/69/1009629269.db2.gz KZTMPYZCTDQIFZ-GIJQJNRQSA-N -1 1 360.439 2.975 20 30 FFEDMM C#CC[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000862558045 1009880123 /nfs/dbraw/zinc/88/01/23/1009880123.db2.gz MTQJYEMNGJEHMA-MRXNPFEDSA-N -1 1 368.458 2.973 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)[C@H](C)Cc2ccc(C#N)cc2)[n-]c1=O ZINC000889787032 1010118103 /nfs/dbraw/zinc/11/81/03/1010118103.db2.gz PJEYNKBGCATBIT-CJNGLKHVSA-N -1 1 366.421 2.605 20 30 FFEDMM O=C(CCC(=O)N1CC2(C1)CCN(CCCC(F)(F)F)C2)C1=CC=C[CH]1 ZINC001274630729 1011548326 /nfs/dbraw/zinc/54/83/26/1011548326.db2.gz OURSBJVZXHTDFB-UHFFFAOYSA-N -1 1 369.407 2.913 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc1C(=O)N(C)C ZINC000901634875 1019293704 /nfs/dbraw/zinc/29/37/04/1019293704.db2.gz DWNBWTDIXKKURS-UHFFFAOYSA-N -1 1 371.462 2.954 20 30 FFEDMM N#Cc1ccc(N2CCC[C@@H](OC(=O)c3c([O-])cc(F)cc3F)C2=O)cc1 ZINC000778788917 1022370988 /nfs/dbraw/zinc/37/09/88/1022370988.db2.gz ROMFYTPXNLLWJP-MRXNPFEDSA-N -1 1 372.327 2.894 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CCC#N)CC(C)C ZINC000751373847 1022812823 /nfs/dbraw/zinc/81/28/23/1022812823.db2.gz HXLVOTLQKMQVEW-UHFFFAOYSA-N -1 1 367.453 2.884 20 30 FFEDMM N#CC(=C([O-])c1cnn2ccncc12)c1nc2ccccc2n1C(F)F ZINC001122415007 1023253274 /nfs/dbraw/zinc/25/32/74/1023253274.db2.gz AQGSNHCLHFIXTJ-SNVBAGLBSA-N -1 1 352.304 2.964 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C(C[C@@H]2CCOC2)c2ccccc2)c2ccccc21 ZINC000753923027 1023399218 /nfs/dbraw/zinc/39/92/18/1023399218.db2.gz AVCSMGJXNYXSLP-AWEZNQCLSA-N -1 1 369.446 2.556 20 30 FFEDMM C#C[C@H](CC)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000754388179 1023464417 /nfs/dbraw/zinc/46/44/17/1023464417.db2.gz HYGIVXKSEXRDNN-CRAIPNDOSA-N -1 1 350.418 2.678 20 30 FFEDMM COc1ccc(C2N=NC(=S)N2N=Cc2cccc(F)c2[O-])c(OC)c1 ZINC000755599842 1023613530 /nfs/dbraw/zinc/61/35/30/1023613530.db2.gz VJGMKPQRRGILFU-UHFFFAOYSA-N -1 1 374.397 2.978 20 30 FFEDMM Cc1ccc(-c2nc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)co2)cc1 ZINC000755641495 1023618978 /nfs/dbraw/zinc/61/89/78/1023618978.db2.gz ZWBVKIDPMPJKQM-UHFFFAOYSA-N -1 1 366.402 2.723 20 30 FFEDMM COC(=O)[C@@H](C)Oc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000756901284 1023766139 /nfs/dbraw/zinc/76/61/39/1023766139.db2.gz NQORMSHPYQYUFQ-GFCCVEGCSA-N -1 1 372.377 2.780 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1c1cc(C)ccc1C ZINC001121615051 1023883020 /nfs/dbraw/zinc/88/30/20/1023883020.db2.gz DDAQTGROJJQIJS-OAHLLOKOSA-N -1 1 350.430 2.603 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H]1c1cc(C)ccc1C ZINC001121615051 1023883024 /nfs/dbraw/zinc/88/30/24/1023883024.db2.gz DDAQTGROJJQIJS-OAHLLOKOSA-N -1 1 350.430 2.603 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1cc(C)ccc1C ZINC001121615049 1023883599 /nfs/dbraw/zinc/88/35/99/1023883599.db2.gz DDAQTGROJJQIJS-HNNXBMFYSA-N -1 1 350.430 2.603 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1cc(C)ccc1C ZINC001121615049 1023883608 /nfs/dbraw/zinc/88/36/08/1023883608.db2.gz DDAQTGROJJQIJS-HNNXBMFYSA-N -1 1 350.430 2.603 20 30 FFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829504933 1033190083 /nfs/dbraw/zinc/19/00/83/1033190083.db2.gz OGNISOANNWKNLC-OAHLLOKOSA-N -1 1 350.422 2.557 20 30 FFEDMM C=C[C@@H]1C[C@@]1(Nc1nc(SC)nc(Cl)c1/C=N/[O-])C(=O)OCC ZINC001159799887 1027503096 /nfs/dbraw/zinc/50/30/96/1027503096.db2.gz VXSKJYZNZCYATB-UKUVWMJMSA-N -1 1 356.835 2.580 20 30 FFEDMM Cc1[nH]nc2cc(NC(=O)c3cc(=O)c4cc(C#N)ccc4[n-]3)cc(F)c12 ZINC001154557144 1028351829 /nfs/dbraw/zinc/35/18/29/1028351829.db2.gz IWTOKKYSPHPEBU-UHFFFAOYSA-N -1 1 361.336 2.976 20 30 FFEDMM C=C[C@@H]1C[C@]1(NC(=O)c1cc2cc(OC)ccc2cc1[O-])C(=O)OCC ZINC001154757912 1028442610 /nfs/dbraw/zinc/44/26/10/1028442610.db2.gz ZAIWFVNZEGCMGD-JLTOFOAXSA-N -1 1 355.390 2.792 20 30 FFEDMM N#Cc1cc2c(nc1NC1([P@@](=O)([O-])O)Cc3ccccc3C1)CCC2 ZINC001157160957 1029486098 /nfs/dbraw/zinc/48/60/98/1029486098.db2.gz WEFMURYXIYJRHW-UHFFFAOYSA-N -1 1 355.334 2.527 20 30 FFEDMM N#Cc1cc2c(nc1NC1([P@@](=O)([O-])O)Cc3ccccc3C1)CCCC2 ZINC001157160937 1029486765 /nfs/dbraw/zinc/48/67/65/1029486765.db2.gz VCHDGXQBYNSFSQ-UHFFFAOYSA-N -1 1 369.361 2.917 20 30 FFEDMM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cccc2c(C#N)c[nH]c21 ZINC001157171035 1029491968 /nfs/dbraw/zinc/49/19/68/1029491968.db2.gz DHMVMVOCBPLSCE-UHFFFAOYSA-N -1 1 353.309 2.923 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cn3c(Br)ccc3cn2)c([O-])c1 ZINC001157247454 1029522100 /nfs/dbraw/zinc/52/21/00/1029522100.db2.gz UTCXJGGRBDIPQV-UHFFFAOYSA-N -1 1 357.167 2.926 20 30 FFEDMM C=CCc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc(OC)c1OC ZINC000782215861 1029614121 /nfs/dbraw/zinc/61/41/21/1029614121.db2.gz WRAMQMVGDVYPFJ-UHFFFAOYSA-N -1 1 372.373 2.883 20 30 FFEDMM C#CCCCS(=O)(=O)[N-]c1ccc(C(=O)N(C)Cc2ccccc2)cn1 ZINC000840947212 1029939112 /nfs/dbraw/zinc/93/91/12/1029939112.db2.gz DXPUXHJNMWITBN-UHFFFAOYSA-N -1 1 371.462 2.509 20 30 FFEDMM CCOC(=O)[C@@H]1CC[C@@H](O/C(=N\[O-])c2ccccc2Br)CO1 ZINC001223884517 1033626239 /nfs/dbraw/zinc/62/62/39/1033626239.db2.gz MACZDALCHLCTKT-HAALYLDESA-N -1 1 372.215 2.712 20 30 FFEDMM C#C[C@@H](NC(=O)c1cnc(SC)[n-]c1=O)c1ccc(Cl)cc1F ZINC001140479397 1035488560 /nfs/dbraw/zinc/48/85/60/1035488560.db2.gz ZZGRPRMUWDTPIH-GFCCVEGCSA-N -1 1 351.790 2.801 20 30 FFEDMM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134172 1036514860 /nfs/dbraw/zinc/51/48/60/1036514860.db2.gz FGDIRTGKLUYUKO-CQSZACIVSA-N -1 1 360.438 2.690 20 30 FFEDMM CC[C@H](C#CC(=O)OC)Oc1cc([O-])ccc1C(=O)Cc1ccc(O)cc1 ZINC001229427276 1036667635 /nfs/dbraw/zinc/66/76/35/1036667635.db2.gz JWVNWCRUZXZKOY-QGZVFWFLSA-N -1 1 368.385 2.857 20 30 FFEDMM N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234332394 1036990789 /nfs/dbraw/zinc/99/07/89/1036990789.db2.gz PLHIKZRYACBKSU-SFHVURJKSA-N -1 1 374.333 2.683 20 30 FFEDMM C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1C ZINC001207108096 1037152916 /nfs/dbraw/zinc/15/29/16/1037152916.db2.gz XCKUQIFTCUOOAJ-RDTXWAMCSA-N -1 1 370.497 2.765 20 30 FFEDMM CC(C)(C)OC(=O)N1CCCO[C@H](COc2ccccc2C=N[O-])C1 ZINC001234819232 1037190943 /nfs/dbraw/zinc/19/09/43/1037190943.db2.gz IPJKZAFKJRLKGW-HNNXBMFYSA-N -1 1 350.415 2.900 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](Oc3ccccc3C=N[O-])C[C@H]2C1 ZINC001234822677 1037191786 /nfs/dbraw/zinc/19/17/86/1037191786.db2.gz NHSYZYCGOZDYCP-HOTGVXAUSA-N -1 1 361.442 2.567 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1ccc(Cl)c([O-])c1 ZINC001231731490 1037857284 /nfs/dbraw/zinc/85/72/84/1037857284.db2.gz MWHNLEIYTGKWJH-MRXNPFEDSA-N -1 1 362.861 2.959 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(=O)n(C)c2ccccc12 ZINC000513670971 1038176997 /nfs/dbraw/zinc/17/69/97/1038176997.db2.gz FEFYIHUWAKYIDW-OAHLLOKOSA-N -1 1 356.385 2.915 20 30 FFEDMM Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([O-])c(C#N)c1 ZINC001279057308 1039049588 /nfs/dbraw/zinc/04/95/88/1039049588.db2.gz WPFVSJQJXDOQCK-HOTGVXAUSA-N -1 1 368.462 2.518 20 30 FFEDMM O=S(=O)([N-]CC(F)(F)C(F)(F)C(F)(F)F)c1ccc(F)cc1 ZINC001251672591 1039243591 /nfs/dbraw/zinc/24/35/91/1039243591.db2.gz VZCYIGMUJFTSBU-UHFFFAOYSA-N -1 1 357.222 2.937 20 30 FFEDMM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258290240 1039300871 /nfs/dbraw/zinc/30/08/71/1039300871.db2.gz LRTDTMNMCNSDTQ-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC001252511313 1039569999 /nfs/dbraw/zinc/56/99/99/1039569999.db2.gz LRAQKRJMQWEPEJ-UHFFFAOYSA-N -1 1 370.434 2.837 20 30 FFEDMM COCCCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F ZINC001259124822 1039733149 /nfs/dbraw/zinc/73/31/49/1039733149.db2.gz RBPTUZPTPSBBSO-UHFFFAOYSA-N -1 1 364.398 2.913 20 30 FFEDMM COc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C#N)c2)c1 ZINC001259189104 1039782135 /nfs/dbraw/zinc/78/21/35/1039782135.db2.gz BHDVLJMPQOJRTQ-UHFFFAOYSA-N -1 1 357.435 2.968 20 30 FFEDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)n1 ZINC001211083748 1039937418 /nfs/dbraw/zinc/93/74/18/1039937418.db2.gz HATRYMLOXGWYFI-UHFFFAOYSA-N -1 1 372.475 2.712 20 30 FFEDMM N#Cc1cccc(OCC[N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)c1 ZINC001260289491 1040513895 /nfs/dbraw/zinc/51/38/95/1040513895.db2.gz ZIBJXDDYMIIHIF-UHFFFAOYSA-N -1 1 372.780 2.847 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)ccn1 ZINC001260914038 1040883379 /nfs/dbraw/zinc/88/33/79/1040883379.db2.gz LKAWZGKDPHCQSQ-UHFFFAOYSA-N -1 1 351.387 2.968 20 30 FFEDMM C#Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2C(=O)OC)c1 ZINC001261062519 1040968274 /nfs/dbraw/zinc/96/82/74/1040968274.db2.gz JWYIUHMWTWKOHL-UHFFFAOYSA-N -1 1 369.851 2.648 20 30 FFEDMM C#CC1([N-]S(=O)(=O)c2cc(Cl)sc2C(=O)OC)CCCCC1 ZINC001261064931 1040970737 /nfs/dbraw/zinc/97/07/37/1040970737.db2.gz FKCMAAVMMVFGNV-UHFFFAOYSA-N -1 1 361.872 2.803 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)c2ccccn2)o1 ZINC001214077816 1041222395 /nfs/dbraw/zinc/22/23/95/1041222395.db2.gz KHLMVQJFKSLWQB-INIZCTEOSA-N -1 1 367.430 2.851 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C/C=C\c2ccc(Br)cc2)o1 ZINC001309524563 1043422623 /nfs/dbraw/zinc/42/26/23/1043422623.db2.gz LILPEDXHFANDKH-UPHRSURJSA-N -1 1 367.224 2.905 20 30 FFEDMM C=C[C@@H](CC)CC(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001282576704 1045910955 /nfs/dbraw/zinc/91/09/55/1045910955.db2.gz VHSJJLFTDDLLQH-LUQKVYGDSA-N -1 1 371.481 2.891 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)cc1 ZINC001322285209 1046029188 /nfs/dbraw/zinc/02/91/88/1046029188.db2.gz BVZMCZOYJNVPRX-UHFFFAOYSA-N -1 1 369.446 2.676 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c2ncccc12 ZINC001325261179 1046442447 /nfs/dbraw/zinc/44/24/47/1046442447.db2.gz AWVHAVZHSYWXBV-UHFFFAOYSA-N -1 1 371.805 2.767 20 30 FFEDMM C=CC[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001332158949 1048273781 /nfs/dbraw/zinc/27/37/81/1048273781.db2.gz GGMBUUDVPZJAOR-INIZCTEOSA-N -1 1 365.861 2.633 20 30 FFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001475318237 1048273924 /nfs/dbraw/zinc/27/39/24/1048273924.db2.gz XQLDMVNDKMIMBY-GFCCVEGCSA-N -1 1 351.211 2.982 20 30 FFEDMM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3snnc3C3CC3)sc2C1 ZINC001328704912 1048427581 /nfs/dbraw/zinc/42/75/81/1048427581.db2.gz OXPCJVVIDFSDFU-UHFFFAOYSA-N -1 1 373.463 2.506 20 30 FFEDMM N#Cc1cc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cs1 ZINC001329561223 1048776314 /nfs/dbraw/zinc/77/63/14/1048776314.db2.gz QDVWTRNJIDGOKN-UHFFFAOYSA-N -1 1 361.854 2.937 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC(OCC)CC1 ZINC001339744013 1050167375 /nfs/dbraw/zinc/16/73/75/1050167375.db2.gz LAIHLAHSXVSBHG-UHFFFAOYSA-N -1 1 363.849 2.890 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001341755392 1050371600 /nfs/dbraw/zinc/37/16/00/1050371600.db2.gz FHZLIMVBOPOXGF-LBPRGKRZSA-N -1 1 365.869 2.544 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1C1CCCCC1 ZINC001342020784 1050617938 /nfs/dbraw/zinc/61/79/38/1050617938.db2.gz JLGPYQHZRHVJEX-HNNXBMFYSA-N -1 1 356.478 2.507 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1C1CCCCC1 ZINC001342020784 1050617940 /nfs/dbraw/zinc/61/79/40/1050617940.db2.gz JLGPYQHZRHVJEX-HNNXBMFYSA-N -1 1 356.478 2.507 20 30 FFEDMM C#CC[C@H]1CCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC=C)C1 ZINC001340224486 1050632657 /nfs/dbraw/zinc/63/26/57/1050632657.db2.gz SFINZYHSKJKXOQ-AWEZNQCLSA-N -1 1 364.453 2.744 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CCCSC ZINC001340224758 1050632983 /nfs/dbraw/zinc/63/29/83/1050632983.db2.gz WHSTVSBIAGZZDL-UHFFFAOYSA-N -1 1 360.487 2.693 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001340311432 1050710265 /nfs/dbraw/zinc/71/02/65/1050710265.db2.gz CJUNUVFRPFYWDA-CQSZACIVSA-N -1 1 370.848 2.563 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001340311432 1050710277 /nfs/dbraw/zinc/71/02/77/1050710277.db2.gz CJUNUVFRPFYWDA-CQSZACIVSA-N -1 1 370.848 2.563 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CC(C)(C)C[C@H]1c1ccccc1 ZINC001340313016 1050711241 /nfs/dbraw/zinc/71/12/41/1050711241.db2.gz PPCNGSYTDMYJKP-HNNXBMFYSA-N -1 1 364.457 2.546 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CC(C)(C)C[C@H]1c1ccccc1 ZINC001340313016 1050711254 /nfs/dbraw/zinc/71/12/54/1050711254.db2.gz PPCNGSYTDMYJKP-HNNXBMFYSA-N -1 1 364.457 2.546 20 30 FFEDMM C=C1CCC(C(=O)NCC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)CC1 ZINC001346579761 1053124833 /nfs/dbraw/zinc/12/48/33/1053124833.db2.gz UWMXKIGGUBENLA-NVXWUHKLSA-N -1 1 371.481 2.748 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@@H](OC)C1 ZINC001346593688 1053139300 /nfs/dbraw/zinc/13/93/00/1053139300.db2.gz RHTVXDZSGVPEHF-CQSZACIVSA-N -1 1 370.457 2.509 20 30 FFEDMM C#CCC[C@@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC001336637865 1054107284 /nfs/dbraw/zinc/10/72/84/1054107284.db2.gz MNJZYSFZKIYIMN-MRXNPFEDSA-N -1 1 374.462 2.682 20 30 FFEDMM CC(C)c1cccc(O[C@@H](C)C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC001337587161 1054870387 /nfs/dbraw/zinc/87/03/87/1054870387.db2.gz AIYBYVCZGPBAOV-ZDUSSCGKSA-N -1 1 372.446 2.843 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001351770371 1054992069 /nfs/dbraw/zinc/99/20/69/1054992069.db2.gz XHTGQRRDZDHEPP-FZMZJTMJSA-N -1 1 372.454 2.588 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2c(F)cccc2F)C1 ZINC001339003974 1056007019 /nfs/dbraw/zinc/00/70/19/1056007019.db2.gz OGBGEBGCDZHHEO-NSHDSACASA-N -1 1 372.379 2.832 20 30 FFEDMM C=C1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC001453265282 1059349408 /nfs/dbraw/zinc/34/94/08/1059349408.db2.gz XABDUALYMGRQJU-UHFFFAOYSA-N -1 1 358.419 2.508 20 30 FFEDMM COc1cnc(C2(NC(=O)C=Cc3ccccc3C#N)CCCC2)[n-]c1=O ZINC001456402482 1060115932 /nfs/dbraw/zinc/11/59/32/1060115932.db2.gz VIRAJLPFWSMLLK-HJWRWDBZSA-N -1 1 364.405 2.661 20 30 FFEDMM CSCC[C@H](NC(=O)Nc1ccc(C2CC2)c(C#N)c1)c1nn[n-]n1 ZINC001477042167 1061555843 /nfs/dbraw/zinc/55/58/43/1061555843.db2.gz ABPPTTBVANXYRS-AWEZNQCLSA-N -1 1 357.443 2.565 20 30 FFEDMM C=C[C@H](CC)CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2ncccc2[O-])C1 ZINC001522413041 1062147233 /nfs/dbraw/zinc/14/72/33/1062147233.db2.gz HHLJSPNGNHZHPF-XFQAVAEZSA-N -1 1 371.481 2.748 20 30 FFEDMM C=CCc1cccc(F)c1OS(=O)(=O)c1[n-]cnc1Br ZINC001463911493 1062328516 /nfs/dbraw/zinc/32/85/16/1062328516.db2.gz NHDVFNQLSMMCOP-UHFFFAOYSA-N -1 1 361.192 2.808 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001523796289 1062628504 /nfs/dbraw/zinc/62/85/04/1062628504.db2.gz JKTTUFFDGHXJSA-HNNXBMFYSA-N -1 1 350.430 2.684 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001523796289 1062628512 /nfs/dbraw/zinc/62/85/12/1062628512.db2.gz JKTTUFFDGHXJSA-HNNXBMFYSA-N -1 1 350.430 2.684 20 30 FFEDMM CCOC(=O)[C@]([N-]C(=O)[C@H](F)C(F)(F)F)(C1CCC1)C(F)(F)F ZINC001531594265 1062815403 /nfs/dbraw/zinc/81/54/03/1062815403.db2.gz IGUOCYCZHKGNOR-OIBJUYFYSA-N -1 1 353.234 2.667 20 30 FFEDMM CCOC(=O)C1([N-]S(=O)(=O)CC2(C#N)CCCCC2)CCCCC1 ZINC001474848115 1065625043 /nfs/dbraw/zinc/62/50/43/1065625043.db2.gz IVWRIAZKCUIVLN-UHFFFAOYSA-N -1 1 356.488 2.646 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1cccc(F)c1F ZINC001561395476 1076371489 /nfs/dbraw/zinc/37/14/89/1076371489.db2.gz BRJVCOGEFAOWCM-VIFPVBQESA-N -1 1 367.333 2.784 20 30 FFEDMM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1F ZINC001561713817 1076411321 /nfs/dbraw/zinc/41/13/21/1076411321.db2.gz BBUKFMIRGYFJAJ-MGPLVRAMSA-N -1 1 368.817 2.751 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001588325250 1079983832 /nfs/dbraw/zinc/98/38/32/1079983832.db2.gz HUVLFHVBWMPFAC-GFCCVEGCSA-N -1 1 363.381 2.539 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001588325250 1079983835 /nfs/dbraw/zinc/98/38/35/1079983835.db2.gz HUVLFHVBWMPFAC-GFCCVEGCSA-N -1 1 363.381 2.539 20 30 FFEDMM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1F ZINC001588329310 1079985274 /nfs/dbraw/zinc/98/52/74/1079985274.db2.gz CVBPRQZZZDNEPS-NSHDSACASA-N -1 1 361.789 2.825 20 30 FFEDMM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1F ZINC001588329310 1079985278 /nfs/dbraw/zinc/98/52/78/1079985278.db2.gz CVBPRQZZZDNEPS-NSHDSACASA-N -1 1 361.789 2.825 20 30 FFEDMM C=CCCC(=O)N[C@H](CNc1snc(C)c1-c1nn[n-]n1)CC(C)C ZINC001588571783 1080102763 /nfs/dbraw/zinc/10/27/63/1080102763.db2.gz NYFRAJBUWKKYLG-LBPRGKRZSA-N -1 1 363.491 2.541 20 30 FFEDMM C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588572000 1080103938 /nfs/dbraw/zinc/10/39/38/1080103938.db2.gz VPSHDCLWRZCPTK-IUCAKERBSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588572000 1080103943 /nfs/dbraw/zinc/10/39/43/1080103943.db2.gz VPSHDCLWRZCPTK-IUCAKERBSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCCC[C@H](C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001588594969 1080116712 /nfs/dbraw/zinc/11/67/12/1080116712.db2.gz WXFZBUKGYYDIER-AWEZNQCLSA-N -1 1 351.414 2.977 20 30 FFEDMM C=CCCCCCCNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001588594595 1080117045 /nfs/dbraw/zinc/11/70/45/1080117045.db2.gz XKNWJOOCSWOAMP-UHFFFAOYSA-N -1 1 362.459 2.556 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC001588623194 1080124941 /nfs/dbraw/zinc/12/49/41/1080124941.db2.gz LKJIUIOZSYDHNF-QGZVFWFLSA-N -1 1 360.454 2.759 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001588621480 1080125100 /nfs/dbraw/zinc/12/51/00/1080125100.db2.gz DZILAQMRHVGMJX-CQSZACIVSA-N -1 1 358.360 2.845 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(CC)C1CCCC1 ZINC001588704807 1080161648 /nfs/dbraw/zinc/16/16/48/1080161648.db2.gz PJDIYFNVIIFKGC-UHFFFAOYSA-N -1 1 354.418 2.673 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(CC)C1CCCC1 ZINC001588704807 1080161652 /nfs/dbraw/zinc/16/16/52/1080161652.db2.gz PJDIYFNVIIFKGC-UHFFFAOYSA-N -1 1 354.418 2.673 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001588703950 1080162464 /nfs/dbraw/zinc/16/24/64/1080162464.db2.gz HDDWCBQGRSCBNK-WCQYABFASA-N -1 1 354.418 2.529 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001588703950 1080162469 /nfs/dbraw/zinc/16/24/69/1080162469.db2.gz HDDWCBQGRSCBNK-WCQYABFASA-N -1 1 354.418 2.529 20 30 FFEDMM CC(=Cc1cc(C)c(OCC(=O)[O-])c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC001588995373 1080297645 /nfs/dbraw/zinc/29/76/45/1080297645.db2.gz HZTBUTYXLPBOLF-GHXNOFRVSA-N -1 1 353.378 2.591 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@](C)(CCF)C(=O)[O-] ZINC001589332040 1080485927 /nfs/dbraw/zinc/48/59/27/1080485927.db2.gz WGZDDTCBGCSOJH-PXAZEXFGSA-N -1 1 367.446 2.669 20 30 FFEDMM CC(C)[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccccc1Cl ZINC001589476233 1080553246 /nfs/dbraw/zinc/55/32/46/1080553246.db2.gz PGMYRAAWQHVSKQ-AWEZNQCLSA-N -1 1 354.805 2.991 20 30 FFEDMM CC(C)CCOc1ccccc1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589607928 1080632658 /nfs/dbraw/zinc/63/26/58/1080632658.db2.gz ZXRYUIAEVXEYKW-UHFFFAOYSA-N -1 1 364.413 2.565 20 30 FFEDMM CC(C)CCOc1ccccc1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589607928 1080632659 /nfs/dbraw/zinc/63/26/59/1080632659.db2.gz ZXRYUIAEVXEYKW-UHFFFAOYSA-N -1 1 364.413 2.565 20 30 FFEDMM CC(C)c1ccc(CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001589768781 1080723329 /nfs/dbraw/zinc/72/33/29/1080723329.db2.gz DSTSXEBVWWCPHY-UHFFFAOYSA-N -1 1 360.425 2.821 20 30 FFEDMM CC(C)(C)OC(=O)N(CCN1CCC(C#N)(C(=O)[O-])CC1)C(C)(C)C ZINC001589906428 1080855027 /nfs/dbraw/zinc/85/50/27/1080855027.db2.gz ZXASLQIZEZEFBJ-UHFFFAOYSA-N -1 1 353.463 2.712 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)ccc1Cl ZINC000055580590 506786752 /nfs/dbraw/zinc/78/67/52/506786752.db2.gz MFSHWJGWMWLMTE-UHFFFAOYSA-N -1 1 350.787 2.503 20 30 FFEDMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000055640065 506810060 /nfs/dbraw/zinc/81/00/60/506810060.db2.gz HJVDXXJTLRMZLW-UHFFFAOYSA-N -1 1 373.434 2.530 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000055664079 506818945 /nfs/dbraw/zinc/81/89/45/506818945.db2.gz LRLUVTQPLXZRPL-UHFFFAOYSA-N -1 1 364.398 2.551 20 30 FFEDMM N#Cc1cccnc1N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000078231717 507848110 /nfs/dbraw/zinc/84/81/10/507848110.db2.gz GFOILKXFPWCRLW-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000110095000 508007425 /nfs/dbraw/zinc/00/74/25/508007425.db2.gz VCFNVCBNYNIXSO-NRFANRHFSA-N -1 1 354.840 2.750 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)c1 ZINC000093909288 508159922 /nfs/dbraw/zinc/15/99/22/508159922.db2.gz CRTUFFCYMSWSLI-UHFFFAOYSA-N -1 1 370.434 2.588 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)c1 ZINC000093909288 508159924 /nfs/dbraw/zinc/15/99/24/508159924.db2.gz CRTUFFCYMSWSLI-UHFFFAOYSA-N -1 1 370.434 2.588 20 30 FFEDMM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1nc(-c2ccncc2)cs1 ZINC000114620623 508331805 /nfs/dbraw/zinc/33/18/05/508331805.db2.gz FXFTZIABFSQDLY-OAHLLOKOSA-N -1 1 373.401 2.671 20 30 FFEDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673545 508335568 /nfs/dbraw/zinc/33/55/68/508335568.db2.gz LOJCXAAYLOSDQP-UHFFFAOYSA-N -1 1 357.435 2.726 20 30 FFEDMM COC(=O)c1cc([N-]C(=O)c2c(F)cc(C#N)cc2F)cc([N+](=O)[O-])c1 ZINC000152200538 508409723 /nfs/dbraw/zinc/40/97/23/508409723.db2.gz GDGVMYZYSGKJTA-UHFFFAOYSA-N -1 1 361.260 2.784 20 30 FFEDMM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C2CC2)n1 ZINC000122272869 508510235 /nfs/dbraw/zinc/51/02/35/508510235.db2.gz GNPUZGXBYZKXQG-CQSZACIVSA-N -1 1 351.428 2.892 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(F)c1F ZINC000119034030 508710456 /nfs/dbraw/zinc/71/04/56/508710456.db2.gz SLDHJQGJLGWTGE-SECBINFHSA-N -1 1 367.333 2.784 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3(C#N)CC3)cc2)ccc1F ZINC000160773807 509031018 /nfs/dbraw/zinc/03/10/18/509031018.db2.gz APQRJRFODFAQNT-UHFFFAOYSA-N -1 1 373.409 2.721 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N2CCCc3cc(C#N)ccc32)c(=O)[n-]1 ZINC000411000349 512433862 /nfs/dbraw/zinc/43/38/62/512433862.db2.gz JKAMCLLBWOUNGX-UHFFFAOYSA-N -1 1 368.462 2.996 20 30 FFEDMM CCCC(C#N)(CCC)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000121609371 509179421 /nfs/dbraw/zinc/17/94/21/509179421.db2.gz JCCDDHKVLXSUMX-UHFFFAOYSA-N -1 1 350.488 2.712 20 30 FFEDMM CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188714443 509227285 /nfs/dbraw/zinc/22/72/85/509227285.db2.gz KBYASLXDOJAXNB-UHFFFAOYSA-N -1 1 354.406 2.918 20 30 FFEDMM C#CCCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000179880599 509658111 /nfs/dbraw/zinc/65/81/11/509658111.db2.gz WWSMLKFPCMKSPK-UHFFFAOYSA-N -1 1 352.456 2.555 20 30 FFEDMM N#Cc1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1[O-] ZINC000189848715 509785673 /nfs/dbraw/zinc/78/56/73/509785673.db2.gz MJHNJVHTBXISPX-UHFFFAOYSA-N -1 1 364.188 2.939 20 30 FFEDMM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000176962491 509786609 /nfs/dbraw/zinc/78/66/09/509786609.db2.gz AGPULQSQPIXFTQ-UHFFFAOYSA-N -1 1 362.382 2.860 20 30 FFEDMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190063641 509918026 /nfs/dbraw/zinc/91/80/26/509918026.db2.gz MNXUBEXDWSPIOB-LBPRGKRZSA-N -1 1 358.419 2.501 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000171345355 510094040 /nfs/dbraw/zinc/09/40/40/510094040.db2.gz SRZMHGWOWILRPQ-UHFFFAOYSA-N -1 1 372.446 2.961 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1noc(Cc2ccccc2)n1 ZINC000178846968 510800892 /nfs/dbraw/zinc/80/08/92/510800892.db2.gz PVMPWDALHVGIEL-ZDUSSCGKSA-N -1 1 368.418 2.572 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1[O-] ZINC000188532465 510813546 /nfs/dbraw/zinc/81/35/46/510813546.db2.gz BTLYPCJCVDSEMC-HNNXBMFYSA-N -1 1 369.808 2.843 20 30 FFEDMM N#CCCN(CCC#N)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291563529 511246924 /nfs/dbraw/zinc/24/69/24/511246924.db2.gz RUOUCFHEFGDCMU-UHFFFAOYSA-N -1 1 373.210 2.972 20 30 FFEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1-n1cnc(C#N)n1 ZINC000378014758 512549818 /nfs/dbraw/zinc/54/98/18/512549818.db2.gz DIGLTTCOSLNZCP-UHFFFAOYSA-N -1 1 353.407 2.502 20 30 FFEDMM Cc1ccc2c([O-])c(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cnc2n1 ZINC000378301209 512684680 /nfs/dbraw/zinc/68/46/80/512684680.db2.gz HNUQSUHNYKIOPU-GOSISDBHSA-N -1 1 374.400 2.729 20 30 FFEDMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCO[C@@H](c3cccc(C#N)c3)C1)c2=O ZINC000378301209 512684685 /nfs/dbraw/zinc/68/46/85/512684685.db2.gz HNUQSUHNYKIOPU-GOSISDBHSA-N -1 1 374.400 2.729 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425124513 513421198 /nfs/dbraw/zinc/42/11/98/513421198.db2.gz FJZLVJDYRYHSTR-CYBMUJFWSA-N -1 1 363.421 2.686 20 30 FFEDMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)c1 ZINC000450977324 513435828 /nfs/dbraw/zinc/43/58/28/513435828.db2.gz VJJTWMXJOYNEKY-UHFFFAOYSA-N -1 1 364.858 2.663 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)ccc1C#N ZINC000435764509 513680414 /nfs/dbraw/zinc/68/04/14/513680414.db2.gz ZFQIGVWIODBISU-UHFFFAOYSA-N -1 1 357.435 2.678 20 30 FFEDMM N#Cc1ccc(C(=O)NCCc2nc3ccccc3n2C(F)F)cc1[O-] ZINC000442977314 513834391 /nfs/dbraw/zinc/83/43/91/513834391.db2.gz VNIGJTGTZVSRHS-UHFFFAOYSA-N -1 1 356.332 2.981 20 30 FFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431179523 513846650 /nfs/dbraw/zinc/84/66/50/513846650.db2.gz HGRBRQRVCRSOBJ-UHFFFAOYSA-N -1 1 357.269 2.685 20 30 FFEDMM CC1(C#N)CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436595285 513909273 /nfs/dbraw/zinc/90/92/73/513909273.db2.gz LAWPEPGTEAUXNP-QGZVFWFLSA-N -1 1 363.417 2.522 20 30 FFEDMM N#C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc(Br)c1 ZINC000436703113 513949777 /nfs/dbraw/zinc/94/97/77/513949777.db2.gz COSFVZQEDHNORE-AWEZNQCLSA-N -1 1 359.179 2.718 20 30 FFEDMM C[C@@H](C#N)CN(C(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000436939843 514043486 /nfs/dbraw/zinc/04/34/86/514043486.db2.gz ROLRABDUOHOQMP-VIFPVBQESA-N -1 1 370.190 2.761 20 30 FFEDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2)n1 ZINC000427353042 514192253 /nfs/dbraw/zinc/19/22/53/514192253.db2.gz VKGAXZXLNGIGIT-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(Br)c1 ZINC000427768694 514307467 /nfs/dbraw/zinc/30/74/67/514307467.db2.gz SNGIEAMNYYNHJE-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM N[C@](C(=O)[N-]CC(F)(F)C(F)F)(c1cccc(F)c1)C(F)(F)F ZINC000508467136 514789691 /nfs/dbraw/zinc/78/96/91/514789691.db2.gz MIXYCPUYDYPTGN-NSHDSACASA-N -1 1 350.209 2.559 20 30 FFEDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475793692 514812186 /nfs/dbraw/zinc/81/21/86/514812186.db2.gz ZMJNHYFAWQMKLX-UHFFFAOYSA-N -1 1 357.435 2.693 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccccc2CC#N)cc(OC)c1OC ZINC000475814193 514820566 /nfs/dbraw/zinc/82/05/66/514820566.db2.gz LOHUBCXXXXCROF-UHFFFAOYSA-N -1 1 362.407 2.579 20 30 FFEDMM CC#CCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471647819 514969545 /nfs/dbraw/zinc/96/95/45/514969545.db2.gz IYMOMPJRUIFGEO-UHFFFAOYSA-N -1 1 354.628 2.933 20 30 FFEDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2C#Cc2ccccc2)c[nH]1 ZINC000476424247 515045496 /nfs/dbraw/zinc/04/54/96/515045496.db2.gz NSWAQKPNQSTCHG-UHFFFAOYSA-N -1 1 366.398 2.914 20 30 FFEDMM CC(C)[C@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000468150126 515245023 /nfs/dbraw/zinc/24/50/23/515245023.db2.gz MOVUGWSHVWHBLE-KRWDZBQOSA-N -1 1 357.435 2.765 20 30 FFEDMM Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)n1 ZINC000510104224 515436315 /nfs/dbraw/zinc/43/63/15/515436315.db2.gz SWPBJNRFTVJBOG-UHFFFAOYSA-N -1 1 370.390 2.630 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(Cl)c1 ZINC000486543912 515530010 /nfs/dbraw/zinc/53/00/10/515530010.db2.gz YJGGWAXGHQJUMS-UHFFFAOYSA-N -1 1 362.754 2.792 20 30 FFEDMM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000505804871 515679138 /nfs/dbraw/zinc/67/91/38/515679138.db2.gz HYZJJGQGXRFANY-KRWDZBQOSA-N -1 1 360.439 2.760 20 30 FFEDMM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000487353217 515836341 /nfs/dbraw/zinc/83/63/41/515836341.db2.gz JVUWDRVCKCFXCQ-UHFFFAOYSA-N -1 1 374.418 2.691 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N3CCCC3)nc2)n1 ZINC000478547546 515866221 /nfs/dbraw/zinc/86/62/21/515866221.db2.gz GYSRYJGWWKBFKS-CYBMUJFWSA-N -1 1 370.434 2.805 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000488158630 516139674 /nfs/dbraw/zinc/13/96/74/516139674.db2.gz LZBGCBVTHQZTRM-GFCCVEGCSA-N -1 1 370.434 2.550 20 30 FFEDMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1F ZINC000507615670 516262894 /nfs/dbraw/zinc/26/28/94/516262894.db2.gz HSXSIEAZEAFETO-UHFFFAOYSA-N -1 1 362.386 2.558 20 30 FFEDMM C=CCSCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000488755414 516302270 /nfs/dbraw/zinc/30/22/70/516302270.db2.gz AJUQJWFDBVIWQA-UHFFFAOYSA-N -1 1 372.256 2.925 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2CC=CC2)cc1Br ZINC000528468813 516459245 /nfs/dbraw/zinc/45/92/45/516459245.db2.gz HRHRRKRSVNYEKL-UHFFFAOYSA-N -1 1 359.220 2.704 20 30 FFEDMM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000513408711 516609836 /nfs/dbraw/zinc/60/98/36/516609836.db2.gz PBDNXOMOILSLIU-UHFFFAOYSA-N -1 1 374.418 2.609 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Br)o1 ZINC000561506418 516622114 /nfs/dbraw/zinc/62/21/14/516622114.db2.gz VDWMKVHRUVMJSJ-ZDUSSCGKSA-N -1 1 367.224 2.880 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(F)c(C)cc1C(=O)[O-] ZINC000547935920 516642682 /nfs/dbraw/zinc/64/26/82/516642682.db2.gz DOXUWGUPTIXUHO-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM Cc1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)c(Br)c1 ZINC000513789297 516753267 /nfs/dbraw/zinc/75/32/67/516753267.db2.gz FYVQARADPHZGMR-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCc3ccccc32)cn1 ZINC000544839469 516954976 /nfs/dbraw/zinc/95/49/76/516954976.db2.gz UIATVQUHUFZEHT-HNNXBMFYSA-N -1 1 367.352 2.636 20 30 FFEDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C2CC2)no1 ZINC000562411428 517089344 /nfs/dbraw/zinc/08/93/44/517089344.db2.gz DZPKXMWFMCVKGA-HNNXBMFYSA-N -1 1 366.830 2.507 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1CC#N ZINC000549714240 517670719 /nfs/dbraw/zinc/67/07/19/517670719.db2.gz MUGVQQHOLDPSTI-UHFFFAOYSA-N -1 1 359.389 2.800 20 30 FFEDMM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000557206985 517918781 /nfs/dbraw/zinc/91/87/81/517918781.db2.gz YVMAFTYHBSOXCQ-GFCCVEGCSA-N -1 1 358.419 2.548 20 30 FFEDMM Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c([C@@H]2CCOC2)n1 ZINC000563594566 518008893 /nfs/dbraw/zinc/00/88/93/518008893.db2.gz XUZZUWVERYZWHE-ZYHUDNBSSA-N -1 1 364.327 2.828 20 30 FFEDMM CC#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000557499734 518038646 /nfs/dbraw/zinc/03/86/46/518038646.db2.gz UCINKKUYWQTWDH-UHFFFAOYSA-N -1 1 356.447 2.891 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000522629682 518137099 /nfs/dbraw/zinc/13/70/99/518137099.db2.gz RJJOLGRYUQDBNN-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1C ZINC000567553131 518581033 /nfs/dbraw/zinc/58/10/33/518581033.db2.gz CATZFZHXYXOFLA-UHFFFAOYSA-N -1 1 364.398 2.832 20 30 FFEDMM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc([O-])cc(C#N)c3)ccc2NC1=O ZINC000589188707 518945565 /nfs/dbraw/zinc/94/55/65/518945565.db2.gz HKLGCWAEWFPPAH-PIGZYNQJSA-N -1 1 365.389 2.864 20 30 FFEDMM Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(OC[C@@H]2CCOC2)c1 ZINC000589189156 518946391 /nfs/dbraw/zinc/94/63/91/518946391.db2.gz JHIQXEQZVJFDRB-OAHLLOKOSA-N -1 1 366.417 2.918 20 30 FFEDMM CC(C)C[C@H](C#N)NC(=O)c1cc(I)ccc1[O-] ZINC000616314255 519975964 /nfs/dbraw/zinc/97/59/64/519975964.db2.gz JNJMRQVUWMSYTD-SNVBAGLBSA-N -1 1 358.179 2.665 20 30 FFEDMM CC1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC=CC1 ZINC000594475514 519985903 /nfs/dbraw/zinc/98/59/03/519985903.db2.gz UZPADGFTQVCGCU-UHFFFAOYSA-N -1 1 359.220 2.847 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)cc1Br ZINC000594804154 520165738 /nfs/dbraw/zinc/16/57/38/520165738.db2.gz PRQONFMJPMRGAS-ZANVPECISA-N -1 1 359.220 2.681 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(CN2CCCC2=O)c1 ZINC000609629747 520388618 /nfs/dbraw/zinc/38/86/18/520388618.db2.gz ZIEOFULNDXYWIM-UHFFFAOYSA-N -1 1 369.446 2.790 20 30 FFEDMM CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)CC(=O)OC(C)(C)C ZINC000595364750 520432842 /nfs/dbraw/zinc/43/28/42/520432842.db2.gz UPWWROQLFSNPOU-ZDUSSCGKSA-N -1 1 370.471 2.824 20 30 FFEDMM Cc1nc(SCC(=O)NCc2ccc(C#N)cc2)[n-]c(=O)c1C1CC1 ZINC000601087411 520629584 /nfs/dbraw/zinc/62/95/84/520629584.db2.gz HVNGSIAHXDJLAH-UHFFFAOYSA-N -1 1 354.435 2.648 20 30 FFEDMM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593196790 520820779 /nfs/dbraw/zinc/82/07/79/520820779.db2.gz CUTDWGCHDHXHCJ-UHFFFAOYSA-N -1 1 371.462 2.990 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCNc2ncc(Cl)cc2Cl)c1 ZINC000614296429 520894054 /nfs/dbraw/zinc/89/40/54/520894054.db2.gz AFURXELPDDKWBV-UHFFFAOYSA-N -1 1 351.193 2.808 20 30 FFEDMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614296733 520894113 /nfs/dbraw/zinc/89/41/13/520894113.db2.gz QBIPDQIDOWBMAY-ZDUSSCGKSA-N -1 1 351.406 2.722 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000614292944 520894639 /nfs/dbraw/zinc/89/46/39/520894639.db2.gz JGFICOPUJLPSMW-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM CC[C@H](C#N)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000593447983 520997649 /nfs/dbraw/zinc/99/76/49/520997649.db2.gz KKOULXQMLVOUQV-MRXNPFEDSA-N -1 1 371.462 2.996 20 30 FFEDMM COc1cc2[n-]cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c(=O)c2c(OC)c1 ZINC000599825381 521494392 /nfs/dbraw/zinc/49/43/92/521494392.db2.gz JWZWHEOWZNZEMH-INIZCTEOSA-N -1 1 369.421 2.700 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000619456731 521578535 /nfs/dbraw/zinc/57/85/35/521578535.db2.gz VJAGXNWMXURFRI-CQSZACIVSA-N -1 1 366.295 2.626 20 30 FFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000737674804 599031362 /nfs/dbraw/zinc/03/13/62/599031362.db2.gz LQIHLPCOJKNCID-CYBMUJFWSA-N -1 1 374.191 2.563 20 30 FFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000737674804 599031364 /nfs/dbraw/zinc/03/13/64/599031364.db2.gz LQIHLPCOJKNCID-CYBMUJFWSA-N -1 1 374.191 2.563 20 30 FFEDMM N#CCCN(C(=O)CN1CCC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000819090787 597070552 /nfs/dbraw/zinc/07/05/52/597070552.db2.gz CCBVORDWTKIBGI-CQSZACIVSA-N -1 1 363.845 2.773 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(N(C)C)c(F)c2)o1 ZINC000735938585 598494670 /nfs/dbraw/zinc/49/46/70/598494670.db2.gz BKCIIZSUONGFKT-UHFFFAOYSA-N -1 1 358.381 2.629 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2[C@@H]3CCCO[C@H]3C2(C)C)o1 ZINC000820107890 599336930 /nfs/dbraw/zinc/33/69/30/599336930.db2.gz DAUFGHUESYBEKB-IINYFYTJSA-N -1 1 359.434 2.656 20 30 FFEDMM C=C1CCN(CCC(=O)Nc2sc(C(=O)[O-])c(C)c2C(=O)OC)CC1 ZINC000736099030 599856283 /nfs/dbraw/zinc/85/62/83/599856283.db2.gz YRBPPAORYFWFOQ-UHFFFAOYSA-N -1 1 366.439 2.522 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736200003 600300489 /nfs/dbraw/zinc/30/04/89/600300489.db2.gz LZOZWIAQIWXFQL-RDJZCZTQSA-N -1 1 355.438 2.508 20 30 FFEDMM N#Cc1ccc([C@H](NCc2ccc(OCC(F)(F)F)nc2)C(=O)[O-])cc1 ZINC000739108906 600594205 /nfs/dbraw/zinc/59/42/05/600594205.db2.gz YBMOYQKOCNFUSY-HNNXBMFYSA-N -1 1 365.311 2.810 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849511 601524832 /nfs/dbraw/zinc/52/48/32/601524832.db2.gz HMXWHHBQGBCQGK-SJKOYZFVSA-N -1 1 372.469 2.683 20 30 FFEDMM N#Cc1ccc(-c2nnc(CN(C3CC3)C3CCN(C(=O)[O-])CC3)o2)cc1 ZINC000831117729 603558160 /nfs/dbraw/zinc/55/81/60/603558160.db2.gz DNZXLYFRYRDBLO-UHFFFAOYSA-N -1 1 367.409 2.715 20 30 FFEDMM Cc1cc(C(C#N)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)nc(C)n1 ZINC000829981516 604219278 /nfs/dbraw/zinc/21/92/78/604219278.db2.gz XYFMTGUAGQXGKU-ISTRZQFTSA-N -1 1 352.394 2.915 20 30 FFEDMM CN(C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1)C(=O)OC(C)(C)C ZINC000833693381 604608975 /nfs/dbraw/zinc/60/89/75/604608975.db2.gz VPWODLYRWJTVKT-AWEZNQCLSA-N -1 1 373.453 2.945 20 30 FFEDMM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000833417372 604952917 /nfs/dbraw/zinc/95/29/17/604952917.db2.gz RFQYNLBQEXYSMR-ZIAGYGMSSA-N -1 1 361.467 2.548 20 30 FFEDMM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000833417370 604953090 /nfs/dbraw/zinc/95/30/90/604953090.db2.gz RFQYNLBQEXYSMR-KGLIPLIRSA-N -1 1 361.467 2.548 20 30 FFEDMM C=CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)c1 ZINC000833378580 605417726 /nfs/dbraw/zinc/41/77/26/605417726.db2.gz JNOREAKZYBLNBI-UHFFFAOYSA-N -1 1 351.380 2.906 20 30 FFEDMM Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@H](C)C#N)c(C(=O)[O-])c1 ZINC000833751049 605600574 /nfs/dbraw/zinc/60/05/74/605600574.db2.gz NGOTUQAPHFAIAJ-GFCCVEGCSA-N -1 1 360.391 2.785 20 30 FFEDMM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000821703300 606386973 /nfs/dbraw/zinc/38/69/73/606386973.db2.gz YNQLMHJIZVCIFI-GQCTYLIASA-N -1 1 372.406 2.850 20 30 FFEDMM CCc1cc(C#N)c([N-]C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)s1 ZINC000821471305 606674554 /nfs/dbraw/zinc/67/45/54/606674554.db2.gz ZCBKNLACUXGECB-UHFFFAOYSA-N -1 1 360.349 2.893 20 30 FFEDMM C=C[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819729118 606800157 /nfs/dbraw/zinc/80/01/57/606800157.db2.gz COYQKOCLOWCDHM-LLVKDONJSA-N -1 1 354.439 2.969 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCOc3c(C)cc(C)cc32)o1 ZINC000822194939 606836199 /nfs/dbraw/zinc/83/61/99/606836199.db2.gz ATPAYRKVUGCIDL-UHFFFAOYSA-N -1 1 353.386 2.769 20 30 FFEDMM Cc1ccc2ncc(CN=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)n2c1 ZINC000826295827 607887559 /nfs/dbraw/zinc/88/75/59/607887559.db2.gz ZJFRWPBQXDJWHS-UHFFFAOYSA-N -1 1 365.401 2.554 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(C#N)s1 ZINC000823963123 608094726 /nfs/dbraw/zinc/09/47/26/608094726.db2.gz VWEWWOKRZICUQK-UHFFFAOYSA-N -1 1 356.415 2.921 20 30 FFEDMM N#Cc1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826384587 609279298 /nfs/dbraw/zinc/27/92/98/609279298.db2.gz BHNOYRALHWLBNY-UHFFFAOYSA-N -1 1 360.356 2.675 20 30 FFEDMM C#CCCCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823842215 609290165 /nfs/dbraw/zinc/29/01/65/609290165.db2.gz ZBPWVFYDDCNOAQ-UHFFFAOYSA-N -1 1 367.388 2.714 20 30 FFEDMM CC#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000744473086 735357921 /nfs/dbraw/zinc/35/79/21/735357921.db2.gz WLEFCEWVIIECML-UHFFFAOYSA-N -1 1 359.403 2.676 20 30 FFEDMM C=CCNc1ncc(C(=O)Nc2nc(Br)ccc2[O-])s1 ZINC000121567726 728631098 /nfs/dbraw/zinc/63/10/98/728631098.db2.gz CINOFJBDULZEPW-UHFFFAOYSA-N -1 1 355.217 2.856 20 30 FFEDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1F ZINC000124784270 728674492 /nfs/dbraw/zinc/67/44/92/728674492.db2.gz DJUKEVLFFUBMBQ-UHFFFAOYSA-N -1 1 369.368 2.520 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1C#N ZINC000137191360 728740173 /nfs/dbraw/zinc/74/01/73/728740173.db2.gz NZWGQRPKDZSJMB-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM N#CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1)C(F)(F)F ZINC000901774576 735837232 /nfs/dbraw/zinc/83/72/32/735837232.db2.gz HINQVUPCVMLBPL-SECBINFHSA-N -1 1 357.151 2.572 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000185345710 729347372 /nfs/dbraw/zinc/34/73/72/729347372.db2.gz OMSJNOBCXJCORO-ZDUSSCGKSA-N -1 1 360.410 2.686 20 30 FFEDMM Cc1nc(NC(=O)Cc2ccc(C#N)cc2)sc1-c1n[n-]c(=S)n1C ZINC000194865306 729523205 /nfs/dbraw/zinc/52/32/05/729523205.db2.gz KBFBMWUBOFRHHA-UHFFFAOYSA-N -1 1 370.463 2.962 20 30 FFEDMM C=CCCCCCC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000313660060 729744941 /nfs/dbraw/zinc/74/49/41/729744941.db2.gz KXLUTZGGMDUSOL-UHFFFAOYSA-N -1 1 364.309 2.906 20 30 FFEDMM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1-n1cnnn1 ZINC000647377102 730739196 /nfs/dbraw/zinc/73/91/96/730739196.db2.gz PLJRUPYESOZOID-ZDUSSCGKSA-N -1 1 350.407 2.795 20 30 FFEDMM CC(=NNCC(C)(C)O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863136439 730752721 /nfs/dbraw/zinc/75/27/21/730752721.db2.gz FNABTXLRGXALMN-UHFFFAOYSA-N -1 1 361.467 2.572 20 30 FFEDMM C[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cccc(C#N)c1[O-] ZINC000866336105 731050364 /nfs/dbraw/zinc/05/03/64/731050364.db2.gz CDDVCAXOAROBNH-GFCCVEGCSA-N -1 1 357.435 2.759 20 30 FFEDMM N#Cc1cccc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC000870160645 731476691 /nfs/dbraw/zinc/47/66/91/731476691.db2.gz QHHRYLBZDCBUHC-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000870288770 731492161 /nfs/dbraw/zinc/49/21/61/731492161.db2.gz XSTMDJSFRXEVAY-CMPLNLGQSA-N -1 1 350.300 3.000 20 30 FFEDMM C=CCn1c([C@H](C)CC)nnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871053691 731590699 /nfs/dbraw/zinc/59/06/99/731590699.db2.gz GBXLDNRNFVQJFB-IAQYHMDHSA-N -1 1 359.396 2.625 20 30 FFEDMM C#CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000733367272 734814203 /nfs/dbraw/zinc/81/42/03/734814203.db2.gz XZQDSJBABBJHLY-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000735269528 734937555 /nfs/dbraw/zinc/93/75/55/734937555.db2.gz QWGGQEBKJCUHLL-UHFFFAOYSA-N -1 1 359.407 2.557 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCCc2cc(F)ccc21 ZINC000748248790 735630173 /nfs/dbraw/zinc/63/01/73/735630173.db2.gz XAZYQRZEPLOFTA-UHFFFAOYSA-N -1 1 363.370 2.753 20 30 FFEDMM CCc1ccc(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000748255170 735630641 /nfs/dbraw/zinc/63/06/41/735630641.db2.gz OIIJATUUNTVIOD-UHFFFAOYSA-N -1 1 353.425 2.921 20 30 FFEDMM CCO[C@@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000748254767 735630820 /nfs/dbraw/zinc/63/08/20/735630820.db2.gz FOYMGBSVKZFUDN-OAHLLOKOSA-N -1 1 367.427 2.598 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1C#N ZINC000749772982 735747028 /nfs/dbraw/zinc/74/70/28/735747028.db2.gz UPUPFTHMHPTNIZ-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751731879 735912617 /nfs/dbraw/zinc/91/26/17/735912617.db2.gz PGFZTXMJZUYWHC-JDNHERCYSA-N -1 1 356.781 2.784 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)cs2)cc1OC ZINC000752160460 735961907 /nfs/dbraw/zinc/96/19/07/735961907.db2.gz JRSVDBUFOWSUEF-LBPRGKRZSA-N -1 1 355.375 2.598 20 30 FFEDMM CCOC(=O)c1cnc(N=NCc2c([O-])ccc(Cl)c2F)nc1C ZINC000790174099 739424330 /nfs/dbraw/zinc/42/43/30/739424330.db2.gz OERFJRZRIGFFHV-UHFFFAOYSA-N -1 1 352.753 2.906 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@@H](C3CCOCC3)C2)c2ccccc21 ZINC000905436889 736340697 /nfs/dbraw/zinc/34/06/97/736340697.db2.gz SPUPLGFXWFLPKO-CQSZACIVSA-N -1 1 361.467 2.698 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000757597807 736412188 /nfs/dbraw/zinc/41/21/88/736412188.db2.gz UEBADZGZVBLJHZ-ZWNOBZJWSA-N -1 1 365.817 2.534 20 30 FFEDMM C=CCC[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124491 736887764 /nfs/dbraw/zinc/88/77/64/736887764.db2.gz ZKNCYFKCGNYAAA-LSDHHAIUSA-N -1 1 353.850 2.661 20 30 FFEDMM CCCOc1ccc(Br)cc1Cn1ccc(C=N[O-])nc1=O ZINC000764936558 737065038 /nfs/dbraw/zinc/06/50/38/737065038.db2.gz BXWYSIDGPQUWQT-UHFFFAOYSA-N -1 1 366.215 2.651 20 30 FFEDMM O=C([O-])c1ccc2c(c1)n[nH]c2C=NNc1ccc(Br)cn1 ZINC000765570692 737134555 /nfs/dbraw/zinc/13/45/55/737134555.db2.gz AOOMTVWXYFBXBE-UHFFFAOYSA-N -1 1 360.171 2.865 20 30 FFEDMM O=C([O-])c1ccc2c(C=NNc3ccc(Br)cn3)n[nH]c2c1 ZINC000765570692 737134558 /nfs/dbraw/zinc/13/45/58/737134558.db2.gz AOOMTVWXYFBXBE-UHFFFAOYSA-N -1 1 360.171 2.865 20 30 FFEDMM COC[C@@H](C)NC(=S)NN=C(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000765994353 737181318 /nfs/dbraw/zinc/18/13/18/737181318.db2.gz DSOBLNWMOJJJPB-SSDOTTSWSA-N -1 1 350.271 2.922 20 30 FFEDMM COc1ccc(Oc2ccc(C=Nn3c(=O)cn[n-]c3=S)cc2)cc1 ZINC000766483168 737233702 /nfs/dbraw/zinc/23/37/02/737233702.db2.gz ULGYXUMTCIYMIT-UHFFFAOYSA-N -1 1 354.391 2.610 20 30 FFEDMM N#Cc1ccc(O)c(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767736990 737362618 /nfs/dbraw/zinc/36/26/18/737362618.db2.gz KIFXSLVONHPNBV-UHFFFAOYSA-N -1 1 370.745 2.555 20 30 FFEDMM N#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000785436575 738963467 /nfs/dbraw/zinc/96/34/67/738963467.db2.gz APUNKHVUPDHIPH-UHFFFAOYSA-N -1 1 368.773 2.960 20 30 FFEDMM N#C[C@H](C(=O)C1=CCOCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000768553368 737432528 /nfs/dbraw/zinc/43/25/28/737432528.db2.gz VOTNKPOUGFMHRH-GFCCVEGCSA-N -1 1 355.419 2.799 20 30 FFEDMM O=C([N-]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000769612315 737546986 /nfs/dbraw/zinc/54/69/86/737546986.db2.gz FKZUMIBGGNDKET-VIFPVBQESA-N -1 1 361.257 2.873 20 30 FFEDMM CC(C)(C)n1cnc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000813059801 741672361 /nfs/dbraw/zinc/67/23/61/741672361.db2.gz IFZMVVLYVTWPKQ-JTQLQIEISA-N -1 1 363.780 2.787 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@@H]2F)CCCCC1 ZINC000921319405 737960602 /nfs/dbraw/zinc/96/06/02/737960602.db2.gz OXVINKATGMUKEP-GOEBONIOSA-N -1 1 352.431 2.852 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000776335012 738184034 /nfs/dbraw/zinc/18/40/34/738184034.db2.gz GNFOYBPMNYJDFA-UHFFFAOYSA-N -1 1 353.447 2.747 20 30 FFEDMM N#Cc1ccsc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000931837547 739337765 /nfs/dbraw/zinc/33/77/65/739337765.db2.gz PQUHHELWPHYUBD-SECBINFHSA-N -1 1 360.361 2.542 20 30 FFEDMM CC(C)O[C@H](C=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000792963094 739724062 /nfs/dbraw/zinc/72/40/62/739724062.db2.gz VDBDLXYFGITJOC-MRXNPFEDSA-N -1 1 357.435 2.877 20 30 FFEDMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000793451013 739782796 /nfs/dbraw/zinc/78/27/96/739782796.db2.gz FHCAQBCWXQMLQC-UHFFFAOYSA-N -1 1 365.798 2.731 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(C)cc1F ZINC000794042184 739844360 /nfs/dbraw/zinc/84/43/60/739844360.db2.gz KRWBJJOVUJTJJN-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM Cc1nn(-c2ccccn2)c(Cl)c1CN=Nc1ccc(C(=O)[O-])cn1 ZINC000794922603 739943182 /nfs/dbraw/zinc/94/31/82/739943182.db2.gz LIATXSRJOWSNKG-UHFFFAOYSA-N -1 1 356.773 2.768 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ncc(Br)cc2F)c1 ZINC000811824524 741563904 /nfs/dbraw/zinc/56/39/04/741563904.db2.gz CTMQECCRSAANMF-UHFFFAOYSA-N -1 1 370.203 2.850 20 30 FFEDMM CSc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000814864545 741870814 /nfs/dbraw/zinc/87/08/14/741870814.db2.gz FROFBPOJRLAKGO-UHFFFAOYSA-N -1 1 357.438 2.691 20 30 FFEDMM CC(C)(C)C#CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817677930 742195682 /nfs/dbraw/zinc/19/56/82/742195682.db2.gz OURYCIHSIFKXFH-CYBMUJFWSA-N -1 1 352.356 2.672 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)OCC ZINC000832550906 745717904 /nfs/dbraw/zinc/71/79/04/745717904.db2.gz WCJIMKJTZZWECF-VIFPVBQESA-N -1 1 367.254 2.565 20 30 FFEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)CC[C@@H](C)C4)nn21 ZINC000069609952 845549852 /nfs/dbraw/zinc/54/98/52/845549852.db2.gz GVSVNFJNVMVDCW-SECBINFHSA-N -1 1 352.423 2.743 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC#N)c2)c1 ZINC000490669679 845920199 /nfs/dbraw/zinc/92/01/99/845920199.db2.gz IUMQPZDKYIOJIP-UHFFFAOYSA-N -1 1 357.435 2.748 20 30 FFEDMM COc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1[N-]S(C)(=O)=O ZINC000895900153 971052942 /nfs/dbraw/zinc/05/29/42/971052942.db2.gz ZHDZCDOBGDWTAS-YFHOEESVSA-N -1 1 371.418 2.590 20 30 FFEDMM C[C@H](CC#N)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001574472480 949551171 /nfs/dbraw/zinc/55/11/71/949551171.db2.gz VLECHIIECSGUQU-LLVKDONJSA-N -1 1 352.423 2.761 20 30 FFEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1ccccc1OC(F)(F)F ZINC000255421311 965603179 /nfs/dbraw/zinc/60/31/79/965603179.db2.gz FJOVMMLVLVXKOI-DGMVEKRQSA-N -1 1 363.295 2.924 20 30 FFEDMM CCn1nccc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000122851436 970753571 /nfs/dbraw/zinc/75/35/71/970753571.db2.gz AKMNTSBTYSBZBG-LLVKDONJSA-N -1 1 367.434 2.570 20 30 FFEDMM C[C@@](CC(=O)[O-])(NCC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 ZINC001592320935 977718685 /nfs/dbraw/zinc/71/86/85/977718685.db2.gz JJBVYUOSPLEIJO-IBGZPJMESA-N -1 1 355.369 2.616 20 30 FFEDMM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000152152896 979082884 /nfs/dbraw/zinc/08/28/84/979082884.db2.gz OBLDVLGRIOAPAL-QGZVFWFLSA-N -1 1 372.446 2.920 20 30 FFEDMM C=CCN1CC[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)C1=O ZINC001271997860 979430780 /nfs/dbraw/zinc/43/07/80/979430780.db2.gz OXGIPKBFYFUPAZ-QGZVFWFLSA-N -1 1 368.355 2.662 20 30 FFEDMM C[C@@H](C#N)OCCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000801815309 984135302 /nfs/dbraw/zinc/13/53/02/984135302.db2.gz DYHBRZYYFVFTPG-AWEZNQCLSA-N -1 1 374.418 2.573 20 30 FFEDMM N#C[C@H](C(=O)[C@H]1C[C@]12CCOC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000764758177 984696507 /nfs/dbraw/zinc/69/65/07/984696507.db2.gz LSHZQGIAUUMYKZ-CLUVUEOHSA-N -1 1 369.446 2.879 20 30 FFEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ccc(C(N)=O)s1 ZINC000171266260 985253919 /nfs/dbraw/zinc/25/39/19/985253919.db2.gz LRAXUDJCCVLGND-ZDUSSCGKSA-N -1 1 363.398 2.961 20 30 FFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000762385263 988340414 /nfs/dbraw/zinc/34/04/14/988340414.db2.gz SPQHREMHZZYZHK-INIZCTEOSA-N -1 1 366.421 2.699 20 30 FFEDMM Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001129264313 990687381 /nfs/dbraw/zinc/68/73/81/990687381.db2.gz KJOXJFVSWHKJDL-UHFFFAOYSA-N -1 1 370.372 2.541 20 30 FFEDMM CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000804231433 991340788 /nfs/dbraw/zinc/34/07/88/991340788.db2.gz QGYIFYDEGODBNQ-INIZCTEOSA-N -1 1 359.426 2.785 20 30 FFEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1 ZINC000728147945 996150710 /nfs/dbraw/zinc/15/07/10/996150710.db2.gz PHLCBAALDGFAKA-CYBMUJFWSA-N -1 1 369.446 2.933 20 30 FFEDMM C#CCN1CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC001136863260 996904210 /nfs/dbraw/zinc/90/42/10/996904210.db2.gz VOVISENKIKMICD-UHFFFAOYSA-N -1 1 373.453 2.520 20 30 FFEDMM CCc1cc2c(COC(=O)c3ccc(C#N)cn3)cc(=O)oc2cc1[O-] ZINC000730890990 997550743 /nfs/dbraw/zinc/55/07/43/997550743.db2.gz FVYVINPTYTYRQV-UHFFFAOYSA-N -1 1 350.330 2.685 20 30 FFEDMM N#Cc1ccc(F)cc1CN[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1O ZINC001085178746 999072871 /nfs/dbraw/zinc/07/28/71/999072871.db2.gz SNXRVFVCAVMZBZ-IAGOWNOFSA-N -1 1 368.412 2.629 20 30 FFEDMM COc1ccccc1-c1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000741464370 999728741 /nfs/dbraw/zinc/72/87/41/999728741.db2.gz OVLQOUBEPTZJIM-UHFFFAOYSA-N -1 1 360.377 2.554 20 30 FFEDMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC000745001240 999887173 /nfs/dbraw/zinc/88/71/73/999887173.db2.gz YEBHQABRGASWQJ-UHFFFAOYSA-N -1 1 353.374 2.826 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2oc(CC3CC3)nc2C)cc1 ZINC000789344267 1002050922 /nfs/dbraw/zinc/05/09/22/1002050922.db2.gz PGADAYOYDBBGMM-HNNXBMFYSA-N -1 1 353.378 2.905 20 30 FFEDMM Cc1cc(C)c(N2CC[C@@H](NC(=O)c3cc([O-])cc(C#N)c3)C2=O)c(C)c1 ZINC000789895208 1002229462 /nfs/dbraw/zinc/22/94/62/1002229462.db2.gz RUPQLTUYNKVECQ-GOSISDBHSA-N -1 1 363.417 2.724 20 30 FFEDMM N#Cc1c(C#N)c2c(nc1Nc1[n-]c(=O)nc3nc[nH]c31)CCCCCC2 ZINC001170226884 1003074129 /nfs/dbraw/zinc/07/41/29/1003074129.db2.gz AXTZCUDTPGUABK-UHFFFAOYSA-N -1 1 360.381 2.599 20 30 FFEDMM Cc1cc([O-])c(C(=O)N2CCCC[C@@H]2C#N)cc1I ZINC001196131631 1003672696 /nfs/dbraw/zinc/67/26/96/1003672696.db2.gz LTEZWGGMXLINTQ-SNVBAGLBSA-N -1 1 370.190 2.824 20 30 FFEDMM COC(=O)[C@]1(F)CCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196309207 1003731355 /nfs/dbraw/zinc/73/13/55/1003731355.db2.gz QGSRSCNHOGWFRA-FQEVSTJZSA-N -1 1 368.364 2.658 20 30 FFEDMM CC(C)[C@](C)(NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)C(N)=O ZINC001196321390 1003742442 /nfs/dbraw/zinc/74/24/42/1003742442.db2.gz ZWECFIWNJLTMBF-FQEVSTJZSA-N -1 1 351.406 2.561 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCc3cc4n(n3)CCCO4)c2)c1 ZINC001196329009 1003744294 /nfs/dbraw/zinc/74/42/94/1003744294.db2.gz PYAVVAIMWDECFM-UHFFFAOYSA-N -1 1 374.400 2.840 20 30 FFEDMM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1c([O-])cccc1C#N ZINC001192761465 1004261430 /nfs/dbraw/zinc/26/14/30/1004261430.db2.gz IWCGHNFZNWEZIL-HNNXBMFYSA-N -1 1 353.378 2.560 20 30 FFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806483859 1004343309 /nfs/dbraw/zinc/34/33/09/1004343309.db2.gz SYGYRHLNPYBVKB-UHFFFAOYSA-N -1 1 367.457 2.729 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccnc1-2 ZINC000806486254 1004344517 /nfs/dbraw/zinc/34/45/17/1004344517.db2.gz ONOOYYNXRBGBTM-MAUKXSAKSA-N -1 1 360.421 2.645 20 30 FFEDMM N#CCS(=O)(=O)[N-]c1cccc2c1[C@@H]1Cc3ccccc3CN1CC2 ZINC001192980416 1004346975 /nfs/dbraw/zinc/34/69/75/1004346975.db2.gz JKMBSROGMFLHHV-SFHVURJKSA-N -1 1 353.447 2.607 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)c(Br)n1 ZINC001198198516 1004539714 /nfs/dbraw/zinc/53/97/14/1004539714.db2.gz WIZVHNSRPFAHKX-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM COc1cnc(C(C)(C)NC(=O)Nc2ccccc2O[C@H](C)C#N)[n-]c1=O ZINC001202414612 1005348067 /nfs/dbraw/zinc/34/80/67/1005348067.db2.gz GOZGGWRHZHUKPT-LLVKDONJSA-N -1 1 371.397 2.538 20 30 FFEDMM C#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC001187588908 1006145093 /nfs/dbraw/zinc/14/50/93/1006145093.db2.gz BOJPVMZCANFHAD-UHFFFAOYSA-N -1 1 353.758 2.959 20 30 FFEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000814212201 1006204852 /nfs/dbraw/zinc/20/48/52/1006204852.db2.gz ILYPMVWEGAENBX-UHFFFAOYSA-N -1 1 351.362 2.874 20 30 FFEDMM CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814885800 1006465514 /nfs/dbraw/zinc/46/55/14/1006465514.db2.gz KKMAUYCOLOAKDG-IRXDYDNUSA-N -1 1 358.442 2.514 20 30 FFEDMM C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000854249344 1006739481 /nfs/dbraw/zinc/73/94/81/1006739481.db2.gz AJZJHXBHVZJFAK-RISCZKNCSA-N -1 1 368.359 2.673 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(C(C)=O)c2)cc1OC ZINC000815908416 1006820727 /nfs/dbraw/zinc/82/07/27/1006820727.db2.gz AVGDNEXVMQCYCG-ZDUSSCGKSA-N -1 1 372.402 2.929 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cnc(-c3ccccn3)[n-]c2=O)c2cccnc12 ZINC001190632951 1007728993 /nfs/dbraw/zinc/72/89/93/1007728993.db2.gz PTFXRYSSEHDRPG-UHFFFAOYSA-N -1 1 368.356 2.916 20 30 FFEDMM N#Cc1c(F)ccc(NC(=O)c2cnc(-c3ccccn3)[n-]c2=O)c1F ZINC001190632744 1007729109 /nfs/dbraw/zinc/72/91/09/1007729109.db2.gz OPSDYGZMHSGHMY-UHFFFAOYSA-N -1 1 353.288 2.646 20 30 FFEDMM COc1cc(Br)c([O-])c(NC(=O)Cc2ccnc(C#N)c2)c1 ZINC001177670274 1008697937 /nfs/dbraw/zinc/69/79/37/1008697937.db2.gz AILXVGQIZVDZAA-UHFFFAOYSA-N -1 1 362.183 2.611 20 30 FFEDMM N=C(c1nonc1N)N([O-])C(=O)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001179650801 1009384763 /nfs/dbraw/zinc/38/47/63/1009384763.db2.gz HRGATQBORZTSGN-UHFFFAOYSA-N -1 1 363.805 2.822 20 30 FFEDMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCC#C[C@@H]3CCCCO3)c2)o1 ZINC001180368128 1009670436 /nfs/dbraw/zinc/67/04/36/1009670436.db2.gz RQUUJWOZBCRDFV-HNNXBMFYSA-N -1 1 353.374 2.767 20 30 FFEDMM N#Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(Cl)c3[O-])CC2=O)cc1 ZINC001180409590 1009684230 /nfs/dbraw/zinc/68/42/30/1009684230.db2.gz DJPIIOUCHICGAF-AWEZNQCLSA-N -1 1 369.808 2.587 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)C=CC(=O)c2ccc(C)cc2)[n-]c1=O ZINC000889784929 1010113522 /nfs/dbraw/zinc/11/35/22/1010113522.db2.gz AGIFCWNUAFRZEH-BOLDSZDNSA-N -1 1 367.405 2.602 20 30 FFEDMM N#Cc1cccc(O[N-]C(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1 ZINC000870692857 1012530040 /nfs/dbraw/zinc/53/00/40/1012530040.db2.gz PIRXKCFFKDQJRR-UHFFFAOYSA-N -1 1 355.438 2.833 20 30 FFEDMM COc1cccc(C#CCOC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000749038323 1017971703 /nfs/dbraw/zinc/97/17/03/1017971703.db2.gz LYFGGESVDVRKSH-UHFFFAOYSA-N -1 1 372.446 2.749 20 30 FFEDMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@H]1C1CC1 ZINC000926622059 1018182467 /nfs/dbraw/zinc/18/24/67/1018182467.db2.gz ANVAKDHGPMMYHD-JKSUJKDBSA-N -1 1 356.422 2.704 20 30 FFEDMM N#C[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000928229102 1018901539 /nfs/dbraw/zinc/90/15/39/1018901539.db2.gz JEPJYSMWBUAEFX-HNNXBMFYSA-N -1 1 369.446 2.863 20 30 FFEDMM COc1cc([O-])cc(OC2CC(O)C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001218261683 1033074942 /nfs/dbraw/zinc/07/49/42/1033074942.db2.gz MAXGDDKVCUCTMR-QPJJXVBHSA-N -1 1 356.374 2.905 20 30 FFEDMM C=CCN(C)c1nnc(-c2cc(Cl)ncc2[O-])n1CCCOCC ZINC001122585308 1023352268 /nfs/dbraw/zinc/35/22/68/1023352268.db2.gz VJSNYBQVVREABJ-UHFFFAOYSA-N -1 1 351.838 2.748 20 30 FFEDMM C=CCOC[C@@H]1CN(Cc2c([O-])cccc2F)Cc2nnn(CC3CC3)c21 ZINC001137834414 1033168333 /nfs/dbraw/zinc/16/83/33/1033168333.db2.gz FTWUXRYIFYMSQJ-HNNXBMFYSA-N -1 1 372.444 2.835 20 30 FFEDMM Cc1cc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000840296986 1027038152 /nfs/dbraw/zinc/03/81/52/1027038152.db2.gz FODBJUWCTOBQJH-UHFFFAOYSA-N -1 1 370.331 2.670 20 30 FFEDMM N#Cc1nc(Cl)ccc1C(F)(F)NCC(=O)c1ccc([O-])c(O)c1 ZINC001159276911 1027332975 /nfs/dbraw/zinc/33/29/75/1027332975.db2.gz PIJINBSPLXCJMC-UHFFFAOYSA-N -1 1 353.712 2.540 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N3CCC[C@@H]3Cc3ccccn3)cc(=O)c2c1 ZINC001154557335 1028352251 /nfs/dbraw/zinc/35/22/51/1028352251.db2.gz WUCVOGMOZJCWJC-MRXNPFEDSA-N -1 1 358.401 2.642 20 30 FFEDMM CSc1nc(CNc2ncc(Br)cc2C#N)cc(=O)[n-]1 ZINC001163611800 1028989153 /nfs/dbraw/zinc/98/91/53/1028989153.db2.gz ZUEDUVJCTYTHRO-UHFFFAOYSA-N -1 1 352.217 2.545 20 30 FFEDMM C=CCc1ccc(NC(=O)C(C)(C)C)c(NCC[N-]C(=O)C(F)(F)F)n1 ZINC001164244805 1029217264 /nfs/dbraw/zinc/21/72/64/1029217264.db2.gz PBLCVCJLEKDSBR-UHFFFAOYSA-N -1 1 372.391 2.885 20 30 FFEDMM Cc1cc(C)c(S(=O)(=O)Nc2cc(C#N)ccc2O)c(C)c1CC(=O)[O-] ZINC000782259299 1029630753 /nfs/dbraw/zinc/63/07/53/1029630753.db2.gz PSAUSUDSKMYWSH-UHFFFAOYSA-N -1 1 374.418 2.617 20 30 FFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1occ2c1CCOC2 ZINC000796801831 1030920602 /nfs/dbraw/zinc/92/06/02/1030920602.db2.gz YTLPSEIQJGVURL-AWEZNQCLSA-N -1 1 354.362 2.712 20 30 FFEDMM CC(C)C(=O)N1CCCc2sc(C(=O)Nc3ccc(C#N)cc3[O-])nc21 ZINC001150344580 1031700742 /nfs/dbraw/zinc/70/07/42/1031700742.db2.gz OZLAEFQGUIFRGA-UHFFFAOYSA-N -1 1 370.434 2.908 20 30 FFEDMM CCC[C@@H](C#Cc1ccccc1)Oc1cc(=O)[n-]c(N2CCOCC2)n1 ZINC001226729692 1034809538 /nfs/dbraw/zinc/80/95/38/1034809538.db2.gz ZLCDXVGKWATZHO-KRWDZBQOSA-N -1 1 353.422 2.618 20 30 FFEDMM COCC(=O)c1ccc([O-])cc1OC1CCN(c2cc(C#N)ccn2)CC1 ZINC001227172068 1034960447 /nfs/dbraw/zinc/96/04/47/1034960447.db2.gz KHUTYCWJTHEMHN-UHFFFAOYSA-N -1 1 367.405 2.536 20 30 FFEDMM C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1C(=O)Nc2cc([O-])c(F)cc21 ZINC000834975535 1035483533 /nfs/dbraw/zinc/48/35/33/1035483533.db2.gz AIMBTFCOTKAYSM-JTQLQIEISA-N -1 1 371.368 2.527 20 30 FFEDMM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227710069 1035690250 /nfs/dbraw/zinc/69/02/50/1035690250.db2.gz HVFDIEFCRGAYAW-YPMHNXCESA-N -1 1 363.414 2.718 20 30 FFEDMM C=C[C@@H]1O[C@H](Oc2cc([O-])cc(O)c2C(=O)CC)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228555749 1036175377 /nfs/dbraw/zinc/17/53/77/1036175377.db2.gz VRHQMXBBQXVKOQ-OSMBCOQSSA-N -1 1 350.367 2.500 20 30 FFEDMM N#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001140949034 1036542227 /nfs/dbraw/zinc/54/22/27/1036542227.db2.gz LKJLUKNRHKBWQD-UHFFFAOYSA-N -1 1 368.393 2.636 20 30 FFEDMM C#CC[C@H](CC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229790766 1036897821 /nfs/dbraw/zinc/89/78/21/1036897821.db2.gz JHTDNFFOMKNRMU-NSHDSACASA-N -1 1 358.346 2.626 20 30 FFEDMM C=C1O[C@@H](C)C(=O)C1Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234745231 1037164280 /nfs/dbraw/zinc/16/42/80/1037164280.db2.gz SOVONMUXLKQVNL-QMMMGPOBSA-N -1 1 354.314 2.956 20 30 FFEDMM COc1cc([O-])cc(OC[C@H]2COCO2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234775494 1037177219 /nfs/dbraw/zinc/17/72/19/1037177219.db2.gz WRDFMUYJWSLXNI-IEXSPKMKSA-N -1 1 372.373 2.754 20 30 FFEDMM C=C[C@@H]1O[C@H](Oc2cccnc2-c2ncccc2[O-])[C@H]2OC(C)(C)O[C@@H]12 ZINC001231203768 1037498474 /nfs/dbraw/zinc/49/84/74/1037498474.db2.gz MAPSEXIGKOSATL-GYIHYUDTSA-N -1 1 356.378 2.659 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)Nc2cc(C#N)c(F)cc2C)[n-]c1=O ZINC001208866118 1038562338 /nfs/dbraw/zinc/56/23/38/1038562338.db2.gz ULFYKIMIYFTFTM-CQSZACIVSA-N -1 1 371.372 2.879 20 30 FFEDMM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001209428075 1038860269 /nfs/dbraw/zinc/86/02/69/1038860269.db2.gz CPIYTZWHMOFTBU-INIZCTEOSA-N -1 1 357.391 2.741 20 30 FFEDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1cccc(OC)c1C#N ZINC001210127894 1039395618 /nfs/dbraw/zinc/39/56/18/1039395618.db2.gz SQZOUDMLSWQOAI-UHFFFAOYSA-N -1 1 356.407 2.928 20 30 FFEDMM C[C@@H](CCc1ccccc1F)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001252294783 1039483327 /nfs/dbraw/zinc/48/33/27/1039483327.db2.gz DNZCXABPQUPCRT-LBPRGKRZSA-N -1 1 360.410 2.660 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)cc2)c1 ZINC001259125412 1039732405 /nfs/dbraw/zinc/73/24/05/1039732405.db2.gz ZWABJFXFTBAYBS-UHFFFAOYSA-N -1 1 358.419 2.917 20 30 FFEDMM COc1ccccc1S(=O)(=O)[N-]c1ncc(C#N)cc1Br ZINC001259294598 1039883299 /nfs/dbraw/zinc/88/32/99/1039883299.db2.gz CAKBYYZXOXVVIS-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC001259417298 1039987891 /nfs/dbraw/zinc/98/78/91/1039987891.db2.gz GEXPEVVVDGVDLW-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)cc1C#N ZINC001259444989 1040011311 /nfs/dbraw/zinc/01/13/11/1040011311.db2.gz OHAAYRJSLNEZAL-UHFFFAOYSA-N -1 1 354.334 2.969 20 30 FFEDMM COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260045061 1040373862 /nfs/dbraw/zinc/37/38/62/1040373862.db2.gz YPEYKYLOWCHYEP-UHFFFAOYSA-N -1 1 362.407 2.526 20 30 FFEDMM COCCOc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260045567 1040377171 /nfs/dbraw/zinc/37/71/71/1040377171.db2.gz YOUMKKBKXRBNRM-UHFFFAOYSA-N -1 1 364.398 2.664 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)Cc2ccccc2C1 ZINC001260208793 1040464201 /nfs/dbraw/zinc/46/42/01/1040464201.db2.gz YIYAKSNXCYSQIH-UHFFFAOYSA-N -1 1 368.792 2.958 20 30 FFEDMM C=CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227710 1040475430 /nfs/dbraw/zinc/47/54/30/1040475430.db2.gz VVOMFNCREDUIOW-UHFFFAOYSA-N -1 1 361.375 2.528 20 30 FFEDMM C=CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1=O ZINC001260473734 1040616557 /nfs/dbraw/zinc/61/65/57/1040616557.db2.gz IVDHFCUXDZVGLS-QMMMGPOBSA-N -1 1 369.295 2.510 20 30 FFEDMM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001213626106 1040733776 /nfs/dbraw/zinc/73/37/76/1040733776.db2.gz FUNZGYDKXQYJGA-AWEZNQCLSA-N -1 1 372.475 2.862 20 30 FFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)c1 ZINC001260844942 1040846527 /nfs/dbraw/zinc/84/65/27/1040846527.db2.gz AZJZDJPHIYRIOZ-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM C=C(C)Cn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCO[C@H](C#N)C1 ZINC001263307965 1042232844 /nfs/dbraw/zinc/23/28/44/1042232844.db2.gz QGLDPKVFCQTIGB-CYBMUJFWSA-N -1 1 359.817 2.609 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OCC ZINC001309761349 1043512795 /nfs/dbraw/zinc/51/27/95/1043512795.db2.gz NQEDVWFZNOJJGY-OAHLLOKOSA-N -1 1 359.875 2.797 20 30 FFEDMM N#Cc1ccc(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1F ZINC001311062234 1043790769 /nfs/dbraw/zinc/79/07/69/1043790769.db2.gz BSVWAPCZSYSUCQ-UHFFFAOYSA-N -1 1 351.341 2.910 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc2ccc(F)cc2s1 ZINC001318154552 1045229052 /nfs/dbraw/zinc/22/90/52/1045229052.db2.gz NUFBUNQOISONLS-UHFFFAOYSA-N -1 1 360.391 2.919 20 30 FFEDMM Cc1nc(-c2ccccc2)oc1C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001320161617 1045358959 /nfs/dbraw/zinc/35/89/59/1045358959.db2.gz JYWXVGGLEGSNNG-UHFFFAOYSA-N -1 1 367.386 2.529 20 30 FFEDMM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001320443914 1045409048 /nfs/dbraw/zinc/40/90/48/1045409048.db2.gz YIXPAAPZSWZHBV-AWEZNQCLSA-N -1 1 372.446 2.905 20 30 FFEDMM [O-]c1c(Br)cccc1C=NNC(=S)NCc1cccnc1 ZINC001323087542 1046340427 /nfs/dbraw/zinc/34/04/27/1046340427.db2.gz LVFQGYVRTQCBPI-UHFFFAOYSA-N -1 1 365.256 2.548 20 30 FFEDMM CSc1ncc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC001540647249 1070956438 /nfs/dbraw/zinc/95/64/38/1070956438.db2.gz OVDSMGHIARSEGL-UHFFFAOYSA-N -1 1 367.352 2.704 20 30 FFEDMM C=C(C)Cn1c(-c2noc(=O)[n-]2)nnc1N1CCC[C@H]1c1cccs1 ZINC001342397063 1050990691 /nfs/dbraw/zinc/99/06/91/1050990691.db2.gz PSTFMGYCLWLKRO-NSHDSACASA-N -1 1 358.427 2.601 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(C)CCC ZINC001343573629 1052314826 /nfs/dbraw/zinc/31/48/26/1052314826.db2.gz DIKQRYMVJDHZSH-UHFFFAOYSA-N -1 1 365.441 2.925 20 30 FFEDMM COc1ccc([O-])c(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001309217287 1052577190 /nfs/dbraw/zinc/57/71/90/1052577190.db2.gz NOEIKSLTZUKDOS-IRXDYDNUSA-N -1 1 372.446 2.861 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1 ZINC001351817989 1055016366 /nfs/dbraw/zinc/01/63/66/1055016366.db2.gz AQLISQLQPLSUKV-OAHLLOKOSA-N -1 1 350.426 2.862 20 30 FFEDMM CC[C@H](Cc1ccccc1C)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001348982547 1055033678 /nfs/dbraw/zinc/03/36/78/1055033678.db2.gz DBMCFBIXGGWWLC-CQSZACIVSA-N -1 1 356.447 2.829 20 30 FFEDMM C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001356328428 1055455540 /nfs/dbraw/zinc/45/55/40/1055455540.db2.gz GENCCZZVNCAEBU-HWWQOWPSSA-N -1 1 371.407 2.625 20 30 FFEDMM C#CCC(C)(C)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1C ZINC001338658936 1055706952 /nfs/dbraw/zinc/70/69/52/1055706952.db2.gz WDBXBZJZEYKULO-UHFFFAOYSA-N -1 1 366.465 2.921 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@H](COC)C1 ZINC001338982803 1055987596 /nfs/dbraw/zinc/98/75/96/1055987596.db2.gz WHCGHEHYLPPAKS-LBPRGKRZSA-N -1 1 363.849 2.748 20 30 FFEDMM C=C(C)CN(C)c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1CC ZINC001339681503 1056702581 /nfs/dbraw/zinc/70/25/81/1056702581.db2.gz XTBCGFFDJSGKDD-UHFFFAOYSA-N -1 1 351.414 2.535 20 30 FFEDMM C=CCN(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C[C@@H]1CCCCO1 ZINC001519952333 1059239119 /nfs/dbraw/zinc/23/91/19/1059239119.db2.gz CUEYQFNKNSBWNC-AWEZNQCLSA-N -1 1 370.457 2.509 20 30 FFEDMM CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001455022550 1059671120 /nfs/dbraw/zinc/67/11/20/1059671120.db2.gz MTDFLIXKVLMDFZ-IUODEOHRSA-N -1 1 365.396 2.627 20 30 FFEDMM N#C[C@@H](NC(=O)c1cc(I)ccc1[O-])C1CCCC1 ZINC001455215604 1059728300 /nfs/dbraw/zinc/72/83/00/1059728300.db2.gz XVOBHHHSNHECHA-GFCCVEGCSA-N -1 1 370.190 2.809 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001520596221 1059853153 /nfs/dbraw/zinc/85/31/53/1059853153.db2.gz LBYJSFRPOCJKML-GFCCVEGCSA-N -1 1 365.869 2.688 20 30 FFEDMM C#C[C@H](NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)c1ccccc1 ZINC000848664142 1060419688 /nfs/dbraw/zinc/41/96/88/1060419688.db2.gz XHBHANYGRUUBEX-VHDGCEQUSA-N -1 1 367.371 2.602 20 30 FFEDMM N#C[C@@]1(F)CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2CC2CC2)C1 ZINC001521154281 1060438176 /nfs/dbraw/zinc/43/81/76/1060438176.db2.gz XCTPIDWHXIUKCW-INIZCTEOSA-N -1 1 362.796 2.551 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CC1=CCSC1 ZINC001355901045 1060708968 /nfs/dbraw/zinc/70/89/68/1060708968.db2.gz RYOMZJQVCOPMQE-UHFFFAOYSA-N -1 1 370.482 2.614 20 30 FFEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001528617301 1061977223 /nfs/dbraw/zinc/97/72/23/1061977223.db2.gz MQZRBINVVHVRKH-UHFFFAOYSA-N -1 1 352.394 2.729 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)c(Cl)cc23)o1 ZINC001464196823 1062477443 /nfs/dbraw/zinc/47/74/43/1062477443.db2.gz SJTJVQYJBLYYBS-UHFFFAOYSA-N -1 1 367.789 2.946 20 30 FFEDMM N#Cc1cccc2ncc(OS(=O)(=O)c3c[n-]nc3C(F)(F)F)cc12 ZINC001464639525 1062732956 /nfs/dbraw/zinc/73/29/56/1062732956.db2.gz MDTRNHRLPPQECC-UHFFFAOYSA-N -1 1 368.296 2.616 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccn2)o1 ZINC001464730337 1062786859 /nfs/dbraw/zinc/78/68/59/1062786859.db2.gz FGNMKNVNBISWEQ-QGZVFWFLSA-N -1 1 353.403 2.809 20 30 FFEDMM CC(C)C#CC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001546236311 1063230798 /nfs/dbraw/zinc/23/07/98/1063230798.db2.gz DUJFSVIWLOIEOY-UHFFFAOYSA-N -1 1 356.447 2.763 20 30 FFEDMM N#Cc1cnn(-c2ccc(C(=O)Nc3cc(F)cc(F)c3[O-])cc2)c1N ZINC001469163267 1064102004 /nfs/dbraw/zinc/10/20/04/1064102004.db2.gz XFECDQGHFFVOJL-UHFFFAOYSA-N -1 1 355.304 2.562 20 30 FFEDMM C#Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)cc1 ZINC001469198313 1064107895 /nfs/dbraw/zinc/10/78/95/1064107895.db2.gz QMYVVDMEDHNLSH-MRXNPFEDSA-N -1 1 372.346 2.918 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ccc(C#N)c([O-])c3)CCC[C@@H]12 ZINC001472437798 1065060681 /nfs/dbraw/zinc/06/06/81/1065060681.db2.gz GWQJLOLJDGJDAW-UZLBHIALSA-N -1 1 371.437 2.926 20 30 FFEDMM C=CCN(CC(=O)[N-]C(=O)c1ccc(OC)cc1)Cc1ccccc1F ZINC001473118740 1065202147 /nfs/dbraw/zinc/20/21/47/1065202147.db2.gz SCDSWISEEJUDOS-UHFFFAOYSA-N -1 1 356.397 2.779 20 30 FFEDMM Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)s1 ZINC001474980613 1065661995 /nfs/dbraw/zinc/66/19/95/1065661995.db2.gz SFMPYIPFDJWVHZ-UHFFFAOYSA-N -1 1 372.269 2.564 20 30 FFEDMM N#Cc1ncc(NCCCCc2ccc(Cl)s2)nc1-c1nn[n-]n1 ZINC001581884021 1079011866 /nfs/dbraw/zinc/01/18/66/1079011866.db2.gz HKMAUSUIIWXOKN-UHFFFAOYSA-N -1 1 360.834 2.678 20 30 FFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnc(SC)[n-]c1=O ZINC001556564698 1075753296 /nfs/dbraw/zinc/75/32/96/1075753296.db2.gz WDSZWFUGDDPFMK-UHFFFAOYSA-N -1 1 361.471 2.900 20 30 FFEDMM C=CCONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC001556633928 1075760059 /nfs/dbraw/zinc/76/00/59/1075760059.db2.gz ZNCCUYBYZKDJAG-UHFFFAOYSA-N -1 1 364.398 2.782 20 30 FFEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(CC#N)n1 ZINC001558101388 1075942691 /nfs/dbraw/zinc/94/26/91/1075942691.db2.gz WAOAXYCDNWFKNK-UHFFFAOYSA-N -1 1 358.423 2.552 20 30 FFEDMM N#Cc1ccc(CC[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC001561745480 1076413010 /nfs/dbraw/zinc/41/30/10/1076413010.db2.gz TYZIWNCYNXRNSP-UHFFFAOYSA-N -1 1 371.281 2.903 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OCC ZINC001561828567 1076429529 /nfs/dbraw/zinc/42/95/29/1076429529.db2.gz RYUNPNHEMMFYRO-INIZCTEOSA-N -1 1 369.870 2.967 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Cl)C(=O)OCC ZINC001561876425 1076438109 /nfs/dbraw/zinc/43/81/09/1076438109.db2.gz KPZDZCYRIMPHKE-CQSZACIVSA-N -1 1 363.838 2.796 20 30 FFEDMM N#Cc1ccc(OC2CN(C(=O)NCc3ccc([O-])c(Cl)c3)C2)cc1 ZINC001565296867 1076710124 /nfs/dbraw/zinc/71/01/24/1076710124.db2.gz NSFJAFLKRNFJKC-UHFFFAOYSA-N -1 1 357.797 2.890 20 30 FFEDMM C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001573689685 1077764502 /nfs/dbraw/zinc/76/45/02/1077764502.db2.gz DVSMSCHIYMHEAF-MFCZKXCZSA-N -1 1 357.454 2.501 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1C ZINC001574369362 1077970195 /nfs/dbraw/zinc/97/01/95/1077970195.db2.gz WWUYAWCCGBDSDX-IRXDYDNUSA-N -1 1 357.454 2.735 20 30 FFEDMM C#CCCC[C@H](C)OC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588342420 1079990804 /nfs/dbraw/zinc/99/08/04/1079990804.db2.gz YTKOPDZKBHWNJM-VIFPVBQESA-N -1 1 353.304 2.629 20 30 FFEDMM C=C(C)CCC(=O)N(C)C[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588409533 1080014226 /nfs/dbraw/zinc/01/42/26/1080014226.db2.gz FWGPAXOBLSAVAY-VIFPVBQESA-N -1 1 369.882 2.592 20 30 FFEDMM C=C(C)CCC(=O)N(C)C[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588409533 1080014238 /nfs/dbraw/zinc/01/42/38/1080014238.db2.gz FWGPAXOBLSAVAY-VIFPVBQESA-N -1 1 369.882 2.592 20 30 FFEDMM C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588415739 1080018661 /nfs/dbraw/zinc/01/86/61/1080018661.db2.gz PPEPYCNIQAEMRD-DTWKUNHWSA-N -1 1 369.882 2.638 20 30 FFEDMM C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588415739 1080018670 /nfs/dbraw/zinc/01/86/70/1080018670.db2.gz PPEPYCNIQAEMRD-DTWKUNHWSA-N -1 1 369.882 2.638 20 30 FFEDMM C=C(C)CONC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001588429711 1080025155 /nfs/dbraw/zinc/02/51/55/1080025155.db2.gz MWKKAWGOBQSELV-UHFFFAOYSA-N -1 1 367.369 2.683 20 30 FFEDMM C=C(C)CONC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001588429711 1080025166 /nfs/dbraw/zinc/02/51/66/1080025166.db2.gz MWKKAWGOBQSELV-UHFFFAOYSA-N -1 1 367.369 2.683 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H](C)CC1 ZINC001588438226 1080028563 /nfs/dbraw/zinc/02/85/63/1080028563.db2.gz NRVLTYZEUOIXBE-CYBMUJFWSA-N -1 1 368.445 2.921 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H](C)CC1 ZINC001588438226 1080028575 /nfs/dbraw/zinc/02/85/75/1080028575.db2.gz NRVLTYZEUOIXBE-CYBMUJFWSA-N -1 1 368.445 2.921 20 30 FFEDMM C=CC(C)(C)C(=O)N[C@H](C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001588475823 1080041239 /nfs/dbraw/zinc/04/12/39/1080041239.db2.gz OGNFBEGHPDMYSR-SNVBAGLBSA-N -1 1 363.491 2.541 20 30 FFEDMM C=CCCCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001588596579 1080116931 /nfs/dbraw/zinc/11/69/31/1080116931.db2.gz UZLCWFMMOORKHS-UHFFFAOYSA-N -1 1 358.471 2.947 20 30 FFEDMM C=CCSc1ccccc1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001588694791 1080159558 /nfs/dbraw/zinc/15/95/58/1080159558.db2.gz NOJXGLISOPNUMF-UHFFFAOYSA-N -1 1 368.422 2.801 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H](CC)C1 ZINC001588704698 1080162067 /nfs/dbraw/zinc/16/20/67/1080162067.db2.gz OIZLFMRNBDSPCQ-LBPRGKRZSA-N -1 1 354.418 2.531 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H](CC)C1 ZINC001588704698 1080162072 /nfs/dbraw/zinc/16/20/72/1080162072.db2.gz OIZLFMRNBDSPCQ-LBPRGKRZSA-N -1 1 354.418 2.531 20 30 FFEDMM CC(=NNCCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001588777445 1080191937 /nfs/dbraw/zinc/19/19/37/1080191937.db2.gz XSHNTQYHMOBQOG-UHFFFAOYSA-N -1 1 356.455 2.849 20 30 FFEDMM CC(=O)[C@](C#N)(CCSc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001588782039 1080193409 /nfs/dbraw/zinc/19/34/09/1080193409.db2.gz OTXBPCIZCHGFSF-GOSISDBHSA-N -1 1 364.434 2.794 20 30 FFEDMM CC(=O)[C@](C#N)(CCSc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001588782039 1080193413 /nfs/dbraw/zinc/19/34/13/1080193413.db2.gz OTXBPCIZCHGFSF-GOSISDBHSA-N -1 1 364.434 2.794 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001590035849 1080961647 /nfs/dbraw/zinc/96/16/47/1080961647.db2.gz KPOZFOOALPWNGO-QFYYESIMSA-N -1 1 362.434 2.541 20 30 FFEDMM C[C@@H]1C[C@@H](NN=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)C[C@H](C)O1 ZINC001590205465 1081090016 /nfs/dbraw/zinc/09/00/16/1081090016.db2.gz AHJSAJIHBHNFST-DOFRTFSJSA-N -1 1 352.801 2.539 20 30 FFEDMM C[C@@H]1C[C@@H](NN=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)C[C@H](C)O1 ZINC001590205465 1081090019 /nfs/dbraw/zinc/09/00/19/1081090019.db2.gz AHJSAJIHBHNFST-DOFRTFSJSA-N -1 1 352.801 2.539 20 30 FFEDMM C[C@H]1CCc2nc(NC(=O)c3csc(-c4nn[n-]n4)c3)c(C#N)cc2C1 ZINC001590280290 1081137695 /nfs/dbraw/zinc/13/76/95/1081137695.db2.gz LUUGKKQXAZRKEJ-VIFPVBQESA-N -1 1 365.422 2.572 20 30 FFEDMM N#Cc1nccnc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000301452218 258050396 /nfs/dbraw/zinc/05/03/96/258050396.db2.gz XRJWOAANJZOEOH-UHFFFAOYSA-N -1 1 352.375 2.941 20 30 FFEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(I)c([O-])c1 ZINC000230889208 509439638 /nfs/dbraw/zinc/43/96/38/509439638.db2.gz JPOMJJUPHLJTKU-SECBINFHSA-N -1 1 358.179 2.619 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000055631623 506807019 /nfs/dbraw/zinc/80/70/19/506807019.db2.gz HGUUQXJHPMUMEP-KRWDZBQOSA-N -1 1 358.419 2.917 20 30 FFEDMM CCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000067687904 506976518 /nfs/dbraw/zinc/97/65/18/506976518.db2.gz QVYMUWQHNJQMPG-UHFFFAOYSA-N -1 1 357.435 2.782 20 30 FFEDMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000022960049 507322040 /nfs/dbraw/zinc/32/20/40/507322040.db2.gz NHDGSCGICMEBTI-UHFFFAOYSA-N -1 1 357.435 2.887 20 30 FFEDMM CC(=O)N[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(C)cc1 ZINC000026252624 507572976 /nfs/dbraw/zinc/57/29/76/507572976.db2.gz YVNAMYQCACSVFD-NSHDSACASA-N -1 1 355.320 2.987 20 30 FFEDMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)cc2oc1=O ZINC000026547604 507597651 /nfs/dbraw/zinc/59/76/51/507597651.db2.gz HALJZDHBOSOVQE-UHFFFAOYSA-N -1 1 371.418 2.733 20 30 FFEDMM Cc1cc(C(C#N)=C([O-])c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc(C)n1 ZINC000049407377 507619705 /nfs/dbraw/zinc/61/97/05/507619705.db2.gz MKJKKBAKXPCJMD-MRXNPFEDSA-N -1 1 362.349 2.677 20 30 FFEDMM Cc1nc(COc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)no1 ZINC000108251019 507882882 /nfs/dbraw/zinc/88/28/82/507882882.db2.gz KICJSEYSLOEECC-UHFFFAOYSA-N -1 1 370.390 2.630 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C)C#N)cc1 ZINC000078597788 507887028 /nfs/dbraw/zinc/88/70/28/507887028.db2.gz KDTKPRLNOAZVHC-CYBMUJFWSA-N -1 1 357.435 2.685 20 30 FFEDMM C=CCOc1ccccc1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081729963 508207124 /nfs/dbraw/zinc/20/71/24/508207124.db2.gz SLXUHLDENRBBCO-UHFFFAOYSA-N -1 1 355.438 2.871 20 30 FFEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673824 508335706 /nfs/dbraw/zinc/33/57/06/508335706.db2.gz WKVHMPWQJBHOCR-UHFFFAOYSA-N -1 1 358.423 2.809 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000116159523 508480428 /nfs/dbraw/zinc/48/04/28/508480428.db2.gz MPEXXQIWEJOVSY-UHFFFAOYSA-N -1 1 372.446 2.728 20 30 FFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000134037666 508484360 /nfs/dbraw/zinc/48/43/60/508484360.db2.gz WCDLSIKENLLRPN-UHFFFAOYSA-N -1 1 367.789 2.975 20 30 FFEDMM N#Cc1cnc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cn1 ZINC000123467325 508691980 /nfs/dbraw/zinc/69/19/80/508691980.db2.gz IBAMKIHFQCQHBV-UHFFFAOYSA-N -1 1 365.418 2.761 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc2c(c1)OCO2 ZINC000124140773 508787276 /nfs/dbraw/zinc/78/72/76/508787276.db2.gz FPQBQTRVYHWIOH-SECBINFHSA-N -1 1 366.345 2.605 20 30 FFEDMM CC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nccs1 ZINC000120419750 508992619 /nfs/dbraw/zinc/99/26/19/508992619.db2.gz WQNDWIXQFRONDS-CQSZACIVSA-N -1 1 366.424 2.527 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1Cl ZINC000151592923 509049661 /nfs/dbraw/zinc/04/96/61/509049661.db2.gz HMTFLUJOBYAZIQ-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM CC#CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000126546638 509093579 /nfs/dbraw/zinc/09/35/79/509093579.db2.gz VFJDQYUVLYFTCG-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1noc(-c2ccccc2)n1 ZINC000126586931 509098976 /nfs/dbraw/zinc/09/89/76/509098976.db2.gz KEGRGRPVBNGKLF-NSHDSACASA-N -1 1 372.381 2.787 20 30 FFEDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000121008743 509108424 /nfs/dbraw/zinc/10/84/24/509108424.db2.gz PGXXAFOVHYHYSV-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1ncc(C(=O)OC)[n-]1 ZINC000193539086 509956402 /nfs/dbraw/zinc/95/64/02/509956402.db2.gz CIUDRQYSFVINPR-LLVKDONJSA-N -1 1 365.480 2.953 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc(C(=O)OC)c[n-]1 ZINC000193539086 509956410 /nfs/dbraw/zinc/95/64/10/509956410.db2.gz CIUDRQYSFVINPR-LLVKDONJSA-N -1 1 365.480 2.953 20 30 FFEDMM N#Cc1c[nH]c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000177495630 510095867 /nfs/dbraw/zinc/09/58/67/510095867.db2.gz IRZMQNQRESLUJN-UHFFFAOYSA-N -1 1 366.402 2.939 20 30 FFEDMM C=C(C)C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000184227491 510205713 /nfs/dbraw/zinc/20/57/13/510205713.db2.gz AYFNHDJFERLEEK-CYBMUJFWSA-N -1 1 354.472 2.964 20 30 FFEDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000188084591 510584545 /nfs/dbraw/zinc/58/45/45/510584545.db2.gz PLZBEASYAOOQEO-ZDUSSCGKSA-N -1 1 356.451 2.760 20 30 FFEDMM Cc1c(=O)[n-]c(SCC(=O)N[C@](C)(C#N)C(C)C)nc1-c1ccccc1 ZINC000185055875 510658946 /nfs/dbraw/zinc/65/89/46/510658946.db2.gz LAGOHLNQUKCLSS-LJQANCHMSA-N -1 1 370.478 2.892 20 30 FFEDMM N#Cc1cccc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)c1 ZINC000195116193 510676340 /nfs/dbraw/zinc/67/63/40/510676340.db2.gz AETQNZOOBPATKC-UHFFFAOYSA-N -1 1 358.810 2.971 20 30 FFEDMM N#Cc1cccc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)c1 ZINC000195116193 510676348 /nfs/dbraw/zinc/67/63/48/510676348.db2.gz AETQNZOOBPATKC-UHFFFAOYSA-N -1 1 358.810 2.971 20 30 FFEDMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)cc12 ZINC000195441598 510826438 /nfs/dbraw/zinc/82/64/38/510826438.db2.gz YNTMOPIPEXLZGJ-UHFFFAOYSA-N -1 1 369.450 2.879 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1Cl ZINC000188595532 510838430 /nfs/dbraw/zinc/83/84/30/510838430.db2.gz WKOGAQFCPAIASM-UHFFFAOYSA-N -1 1 364.810 2.790 20 30 FFEDMM C=CC[C@@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000302147465 511707305 /nfs/dbraw/zinc/70/73/05/511707305.db2.gz RWKDZHJGSFVGBF-LBPRGKRZSA-N -1 1 369.393 2.510 20 30 FFEDMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000367874786 512701261 /nfs/dbraw/zinc/70/12/61/512701261.db2.gz PYHSXRMQGBIWLG-ZBFHGGJFSA-N -1 1 365.842 2.528 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnc(C#N)n2)cc1C ZINC000368053637 512782567 /nfs/dbraw/zinc/78/25/67/512782567.db2.gz GWSMUZCGCMQSLQ-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM COCCc1nc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2o1 ZINC000439876627 513202658 /nfs/dbraw/zinc/20/26/58/513202658.db2.gz QSHCSTJXSLVTQJ-UHFFFAOYSA-N -1 1 357.391 2.689 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1C#N ZINC000447261539 513429703 /nfs/dbraw/zinc/42/97/03/513429703.db2.gz YUXUUZRNOKKOIG-UHFFFAOYSA-N -1 1 357.370 2.592 20 30 FFEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000425188985 513443785 /nfs/dbraw/zinc/44/37/85/513443785.db2.gz LCFSHIXRTRGQGY-JGVFFNPUSA-N -1 1 365.199 2.698 20 30 FFEDMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000435174548 513528665 /nfs/dbraw/zinc/52/86/65/513528665.db2.gz BDIGVPRXZKJHCC-UHFFFAOYSA-N -1 1 370.356 2.839 20 30 FFEDMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435697056 513661009 /nfs/dbraw/zinc/66/10/09/513661009.db2.gz MEOAOFPGUNEZNF-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM Cn1c2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2[nH]c1=O ZINC000442232741 513686475 /nfs/dbraw/zinc/68/64/75/513686475.db2.gz KQMLHDWGFUVVCW-UHFFFAOYSA-N -1 1 362.798 2.605 20 30 FFEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000416531174 513820324 /nfs/dbraw/zinc/82/03/24/513820324.db2.gz NLYJHTOUWXDRTC-UHFFFAOYSA-N -1 1 367.215 2.945 20 30 FFEDMM C=CCc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)cc(OC)c1OC ZINC000442947894 513824753 /nfs/dbraw/zinc/82/47/53/513824753.db2.gz FXGCYNNRFIOKNT-UHFFFAOYSA-N -1 1 352.390 2.940 20 30 FFEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2ccncc2)no1 ZINC000442957481 513827846 /nfs/dbraw/zinc/82/78/46/513827846.db2.gz TYLCKMGAQFQINC-INIZCTEOSA-N -1 1 363.377 2.836 20 30 FFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000442955774 513827868 /nfs/dbraw/zinc/82/78/68/513827868.db2.gz MPOXXUJNZABOSB-IBGZPJMESA-N -1 1 364.380 2.998 20 30 FFEDMM C=C[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436587967 513908532 /nfs/dbraw/zinc/90/85/32/513908532.db2.gz YNUMGVYRXCWLFT-LBPRGKRZSA-N -1 1 370.405 2.966 20 30 FFEDMM C=C(C)CNC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436822953 513996197 /nfs/dbraw/zinc/99/61/97/513996197.db2.gz YLZCYLUYWXRTJT-UHFFFAOYSA-N -1 1 370.405 2.968 20 30 FFEDMM N#Cc1ccc(OCC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000436915935 514031912 /nfs/dbraw/zinc/03/19/12/514031912.db2.gz QTUOODDSVMNZQX-UHFFFAOYSA-N -1 1 369.768 2.720 20 30 FFEDMM N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC000436915935 514031919 /nfs/dbraw/zinc/03/19/19/514031919.db2.gz QTUOODDSVMNZQX-UHFFFAOYSA-N -1 1 369.768 2.720 20 30 FFEDMM CCc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)o1 ZINC000451954988 514091926 /nfs/dbraw/zinc/09/19/26/514091926.db2.gz CEBQHBOXYDGOAM-UHFFFAOYSA-N -1 1 359.329 2.606 20 30 FFEDMM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)o1 ZINC000451961496 514097095 /nfs/dbraw/zinc/09/70/95/514097095.db2.gz SPBKGMQUGAQXLP-UHFFFAOYSA-N -1 1 373.356 2.996 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(cc(C)c(=O)n2C)c1 ZINC000427336839 514186139 /nfs/dbraw/zinc/18/61/39/514186139.db2.gz SIYWKSHRAULXQS-UHFFFAOYSA-N -1 1 367.430 2.828 20 30 FFEDMM CCOC(=O)C(=C([O-])Cn1nc(C#N)c2ccccc21)c1nc(C)cs1 ZINC000432454147 514200479 /nfs/dbraw/zinc/20/04/79/514200479.db2.gz DWJXHDOQPQQPAJ-MRXNPFEDSA-N -1 1 368.418 2.589 20 30 FFEDMM Cc1cnc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c([O-])c1 ZINC000444524518 514246613 /nfs/dbraw/zinc/24/66/13/514246613.db2.gz NWOLEDVEVVYXGA-UHFFFAOYSA-N -1 1 356.813 2.583 20 30 FFEDMM COc1ccc(C2(NC(=O)c3ccc(C#N)c([O-])c3)CCOCC2)cc1F ZINC000444756613 514318643 /nfs/dbraw/zinc/31/86/43/514318643.db2.gz GBWJRWGZDLRJOS-UHFFFAOYSA-N -1 1 370.380 2.847 20 30 FFEDMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2)n1C ZINC000475788585 514809861 /nfs/dbraw/zinc/80/98/61/514809861.db2.gz QCQIMFDLYFDYOG-UHFFFAOYSA-N -1 1 367.434 2.657 20 30 FFEDMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475822178 514822819 /nfs/dbraw/zinc/82/28/19/514822819.db2.gz SSMNUVUNNUZMKX-HSZRJFAPSA-N -1 1 362.476 2.740 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)c1 ZINC000466968648 514844686 /nfs/dbraw/zinc/84/46/86/514844686.db2.gz DPECOEPVQQWRIP-UHFFFAOYSA-N -1 1 374.418 2.980 20 30 FFEDMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000484952646 514855158 /nfs/dbraw/zinc/85/51/58/514855158.db2.gz ACJLANFONCGYLY-UHFFFAOYSA-N -1 1 360.391 2.846 20 30 FFEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000462100151 514883949 /nfs/dbraw/zinc/88/39/49/514883949.db2.gz GQLUMPBUFULSKQ-UHFFFAOYSA-N -1 1 373.434 2.952 20 30 FFEDMM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000467141588 514914513 /nfs/dbraw/zinc/91/45/13/514914513.db2.gz YIORNPBXXLTWGO-SNVBAGLBSA-N -1 1 352.362 2.885 20 30 FFEDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000476392494 515031928 /nfs/dbraw/zinc/03/19/28/515031928.db2.gz YVRZXNNCFDPYDS-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000467763140 515106764 /nfs/dbraw/zinc/10/67/64/515106764.db2.gz RFPODTLKHHSREY-UHFFFAOYSA-N -1 1 356.860 2.665 20 30 FFEDMM CC(C)[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000468142813 515240579 /nfs/dbraw/zinc/24/05/79/515240579.db2.gz ZTNGTOTYZPHZFG-KRWDZBQOSA-N -1 1 357.435 2.765 20 30 FFEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509977394 515388105 /nfs/dbraw/zinc/38/81/05/515388105.db2.gz SISPWUQCXSDTGT-VIFPVBQESA-N -1 1 365.238 2.751 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000463522286 515533191 /nfs/dbraw/zinc/53/31/91/515533191.db2.gz YHXHQAXBHQIVEK-UHFFFAOYSA-N -1 1 374.418 2.730 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OCCOC)cc2)n1 ZINC000477841058 515611295 /nfs/dbraw/zinc/61/12/95/515611295.db2.gz FZMJGDXQKQTUHD-AWEZNQCLSA-N -1 1 374.418 2.835 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc2n[nH]cc2c1 ZINC000511015010 515745757 /nfs/dbraw/zinc/74/57/57/515745757.db2.gz KWYBBPKIEMBPKA-VIFPVBQESA-N -1 1 362.361 2.752 20 30 FFEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000511133323 515799352 /nfs/dbraw/zinc/79/93/52/515799352.db2.gz YGZQCXUZCPLQHB-UHFFFAOYSA-N -1 1 371.418 2.665 20 30 FFEDMM CC#CCCNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000482985049 515871775 /nfs/dbraw/zinc/87/17/75/515871775.db2.gz BPOZZYRFDWLNDT-UHFFFAOYSA-N -1 1 371.462 2.700 20 30 FFEDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000522928621 516352280 /nfs/dbraw/zinc/35/22/80/516352280.db2.gz OAFLTRACFLEYOX-UHFFFAOYSA-N -1 1 357.417 2.799 20 30 FFEDMM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000551548913 516754769 /nfs/dbraw/zinc/75/47/69/516754769.db2.gz ACFFKOWZTAQIFO-UHFFFAOYSA-N -1 1 352.774 2.512 20 30 FFEDMM N#Cc1cccc(C2([N-]S(=O)(=O)c3c(F)cc(F)cc3F)CC2)c1 ZINC000560072605 517563707 /nfs/dbraw/zinc/56/37/07/517563707.db2.gz ZFZNJATUXHIOTE-UHFFFAOYSA-N -1 1 352.337 2.943 20 30 FFEDMM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)c1C#N ZINC000530265383 517667047 /nfs/dbraw/zinc/66/70/47/517667047.db2.gz DQKBAZYHSPSQKQ-IEBWSBKVSA-N -1 1 365.481 2.745 20 30 FFEDMM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C2CC2)no1 ZINC000564770249 518606001 /nfs/dbraw/zinc/60/60/01/518606001.db2.gz MWYJLUWZQDQSFU-OAHLLOKOSA-N -1 1 366.830 2.507 20 30 FFEDMM CCC[C@@H](CCCCNS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000576659856 518698905 /nfs/dbraw/zinc/69/89/05/518698905.db2.gz GTOYOSXXCGMYHC-LBPRGKRZSA-N -1 1 374.409 2.786 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)cc1C#N ZINC000576953355 518845681 /nfs/dbraw/zinc/84/56/81/518845681.db2.gz DCJIEGDXXUFSTG-UHFFFAOYSA-N -1 1 368.422 2.575 20 30 FFEDMM CCOC(=O)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(OC)c1 ZINC000589169060 518937689 /nfs/dbraw/zinc/93/76/89/518937689.db2.gz UACSFKVFZKPLKU-SFHVURJKSA-N -1 1 368.389 2.697 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)c1 ZINC000589170891 518938257 /nfs/dbraw/zinc/93/82/57/518938257.db2.gz JUOVHGCJCBDTGH-UHFFFAOYSA-N -1 1 355.438 2.565 20 30 FFEDMM COc1ccc(Br)cc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589175061 518940442 /nfs/dbraw/zinc/94/04/42/518940442.db2.gz FESGFLYDVFKCSK-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM Cn1[nH]c(-c2ccccc2)c2c(NC(=O)c3cc([O-])cc(C#N)c3)nnc1-2 ZINC000589180953 518942144 /nfs/dbraw/zinc/94/21/44/518942144.db2.gz JAUCZWSHRNAYIX-UHFFFAOYSA-N -1 1 358.361 2.793 20 30 FFEDMM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589197073 518947141 /nfs/dbraw/zinc/94/71/41/518947141.db2.gz BBEOAWCGABJQBY-UHFFFAOYSA-N -1 1 356.353 2.608 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000589208394 518951597 /nfs/dbraw/zinc/95/15/97/518951597.db2.gz GGXFBGNURLUDFI-UHFFFAOYSA-N -1 1 354.381 2.613 20 30 FFEDMM CS(=O)(=O)c1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1Cl ZINC000589849570 519093814 /nfs/dbraw/zinc/09/38/14/519093814.db2.gz SXZLEUDTPGTRQV-UHFFFAOYSA-N -1 1 350.783 2.573 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)cc1F ZINC000589961992 519113290 /nfs/dbraw/zinc/11/32/90/519113290.db2.gz NIRIENUZDQHKEW-UHFFFAOYSA-N -1 1 373.409 2.621 20 30 FFEDMM CCOC(=O)c1cc(COC)cc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000590450374 519237004 /nfs/dbraw/zinc/23/70/04/519237004.db2.gz AMAQSNQETZPDRF-UHFFFAOYSA-N -1 1 354.362 2.839 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(C#N)C3)c2)c1 ZINC000590491658 519247240 /nfs/dbraw/zinc/24/72/40/519247240.db2.gz GSHZKNOUJCDLGG-UHFFFAOYSA-N -1 1 369.446 2.700 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000568959895 519304738 /nfs/dbraw/zinc/30/47/38/519304738.db2.gz YSCHUXVUWXTJAV-UHFFFAOYSA-N -1 1 367.312 2.649 20 30 FFEDMM C=CCCCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000566671235 519604659 /nfs/dbraw/zinc/60/46/59/519604659.db2.gz STKXOJCVXHXDHM-UHFFFAOYSA-N -1 1 365.282 2.744 20 30 FFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1F ZINC000594469509 519980838 /nfs/dbraw/zinc/98/08/38/519980838.db2.gz XYJBOAXKSXWWQU-UHFFFAOYSA-N -1 1 374.821 2.628 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCOC3)n1 ZINC000595240507 520367122 /nfs/dbraw/zinc/36/71/22/520367122.db2.gz GCHDREWDEVQANM-AWEZNQCLSA-N -1 1 356.403 2.883 20 30 FFEDMM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000595353650 520423773 /nfs/dbraw/zinc/42/37/73/520423773.db2.gz KNAQWSFWBSSARY-CVEARBPZSA-N -1 1 350.465 2.656 20 30 FFEDMM COC(=O)c1cnc([C@H]2CCCN(C(=O)c3cc([O-])cc(C#N)c3)C2)s1 ZINC000598561657 520706453 /nfs/dbraw/zinc/70/64/53/520706453.db2.gz KMIXMUIZYVVZJB-LBPRGKRZSA-N -1 1 371.418 2.527 20 30 FFEDMM N#Cc1sccc1N1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000601667227 520895884 /nfs/dbraw/zinc/89/58/84/520895884.db2.gz UCVUODAWWLXGSN-UHFFFAOYSA-N -1 1 361.854 2.870 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1 ZINC000614297937 520896166 /nfs/dbraw/zinc/89/61/66/520896166.db2.gz RWQRNMJZCOGXIL-AWEZNQCLSA-N -1 1 373.359 2.874 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2nc(-c3ccccn3)cs2)c1 ZINC000614367099 520928336 /nfs/dbraw/zinc/92/83/36/520928336.db2.gz VZQDZCLSBRLXJX-UHFFFAOYSA-N -1 1 350.403 2.755 20 30 FFEDMM CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000611464738 521172074 /nfs/dbraw/zinc/17/20/74/521172074.db2.gz WWFYBMPDIXRGLF-AWEZNQCLSA-N -1 1 355.360 2.717 20 30 FFEDMM Cc1cc(N=C([O-])Nc2nnc(Cc3ccccc3)s2)nn1CCC#N ZINC000615006918 521226793 /nfs/dbraw/zinc/22/67/93/521226793.db2.gz IPBMHOBZBATMAU-UHFFFAOYSA-N -1 1 367.438 2.613 20 30 FFEDMM COc1cc2[n-]cc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)c(=O)c2c(OC)c1 ZINC000599527893 521278767 /nfs/dbraw/zinc/27/87/67/521278767.db2.gz WLNIZAAZHPMRDK-FKIZINRSSA-N -1 1 369.421 2.748 20 30 FFEDMM C=CCCn1cc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)nn1 ZINC000633730828 522945152 /nfs/dbraw/zinc/94/51/52/522945152.db2.gz JGDIAZKZEBZHCX-UHFFFAOYSA-N -1 1 368.291 2.612 20 30 FFEDMM C=CC[C@H]1CCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000628487111 523578364 /nfs/dbraw/zinc/57/83/64/523578364.db2.gz XWCSVUGLEORYFM-HNNXBMFYSA-N -1 1 352.438 2.910 20 30 FFEDMM C#CCN(CC)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735374884 598905982 /nfs/dbraw/zinc/90/59/82/598905982.db2.gz OMMGZZIRVPIZIR-UHFFFAOYSA-N -1 1 366.450 2.760 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000737231282 598947668 /nfs/dbraw/zinc/94/76/68/598947668.db2.gz MOOVHBZNZPXIFN-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738178733 598987368 /nfs/dbraw/zinc/98/73/68/598987368.db2.gz KELORHCLQDYRKI-UHFFFAOYSA-N -1 1 372.413 2.975 20 30 FFEDMM O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738178733 598987370 /nfs/dbraw/zinc/98/73/70/598987370.db2.gz KELORHCLQDYRKI-UHFFFAOYSA-N -1 1 372.413 2.975 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000738605435 597078555 /nfs/dbraw/zinc/07/85/55/597078555.db2.gz VLECWVUWEKPVSO-CYBMUJFWSA-N -1 1 361.467 2.864 20 30 FFEDMM N#CC1(NC(=O)c2ccc(C(=O)[O-])cc2)CCN(Cc2ccccc2)CC1 ZINC000821320729 598205337 /nfs/dbraw/zinc/20/53/37/598205337.db2.gz VBXFEBBKONVBAL-UHFFFAOYSA-N -1 1 363.417 2.673 20 30 FFEDMM N#CCCN(C(=O)CN1CCCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000739073641 599755038 /nfs/dbraw/zinc/75/50/38/599755038.db2.gz XWWFPMVGVGOHKS-HNNXBMFYSA-N -1 1 363.845 2.916 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CNC2(C(=O)[O-])CCCCC2)c1C ZINC000738723753 600460486 /nfs/dbraw/zinc/46/04/86/600460486.db2.gz FPWLUMABOMGHOI-UHFFFAOYSA-N -1 1 357.454 2.927 20 30 FFEDMM C[C@@](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)(C(=O)[O-])C1CC1 ZINC000827729287 601036982 /nfs/dbraw/zinc/03/69/82/601036982.db2.gz ZLXFCBFYIABRCA-SFHVURJKSA-N -1 1 361.467 2.670 20 30 FFEDMM N#C[C@@H](c1ccc(F)cc1)N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833065132 601139706 /nfs/dbraw/zinc/13/97/06/601139706.db2.gz SPBRFFGMZOIOHV-OALUTQOASA-N -1 1 353.397 2.834 20 30 FFEDMM N#Cc1cccc([C@@H](NCc2ccc(OCC(F)(F)F)nc2)C(=O)[O-])c1 ZINC000833076541 601301266 /nfs/dbraw/zinc/30/12/66/601301266.db2.gz WPJADGUBTVFRKW-OAHLLOKOSA-N -1 1 365.311 2.810 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CCC(=O)[O-])CC1 ZINC000825978159 601844176 /nfs/dbraw/zinc/84/41/76/601844176.db2.gz YXORNJNWWSYTHO-INIZCTEOSA-N -1 1 357.454 2.899 20 30 FFEDMM N#CCCN(C(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000740308770 601934772 /nfs/dbraw/zinc/93/47/72/601934772.db2.gz OIBHZQHLDQWKBU-UHFFFAOYSA-N -1 1 370.453 2.540 20 30 FFEDMM Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2OCC#N)c1C(=O)[O-] ZINC000832973192 602119642 /nfs/dbraw/zinc/11/96/42/602119642.db2.gz ZMDIYOYHCHWZGL-UHFFFAOYSA-N -1 1 364.354 2.536 20 30 FFEDMM CCCN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739364996 602526224 /nfs/dbraw/zinc/52/62/24/602526224.db2.gz SXPGVJWKNOQVLG-QGZVFWFLSA-N -1 1 353.426 2.844 20 30 FFEDMM Cc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1NC(=O)[O-] ZINC000830177311 604226938 /nfs/dbraw/zinc/22/69/38/604226938.db2.gz YRLWITDAHOXQOQ-CYBMUJFWSA-N -1 1 353.382 2.893 20 30 FFEDMM Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1NC(=O)[O-] ZINC000830177311 604226943 /nfs/dbraw/zinc/22/69/43/604226943.db2.gz YRLWITDAHOXQOQ-CYBMUJFWSA-N -1 1 353.382 2.893 20 30 FFEDMM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000833417369 604952602 /nfs/dbraw/zinc/95/26/02/604952602.db2.gz RFQYNLBQEXYSMR-KBPBESRZSA-N -1 1 361.467 2.548 20 30 FFEDMM N#CC(C(=O)CC[C@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccccc1Cl ZINC000833960131 605487633 /nfs/dbraw/zinc/48/76/33/605487633.db2.gz GGCZQVCKVCJQCW-NWDGAFQWSA-N -1 1 363.801 2.767 20 30 FFEDMM N#CC(C(=O)CC[C@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccc(Cl)cc1 ZINC000833961724 605488796 /nfs/dbraw/zinc/48/87/96/605488796.db2.gz UKUNSCGBDMKRNW-SMDDNHRTSA-N -1 1 363.801 2.767 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000833788127 605557625 /nfs/dbraw/zinc/55/76/25/605557625.db2.gz NVKPYEQBZIIBIN-KKUMJFAQSA-N -1 1 365.499 2.629 20 30 FFEDMM N#Cc1ccc(-c2nnc(CN[C@H](CNC(=O)[O-])C3CCCCC3)o2)cc1 ZINC000833974571 605665971 /nfs/dbraw/zinc/66/59/71/605665971.db2.gz LTRRNIDLWYKYLL-MRXNPFEDSA-N -1 1 369.425 2.914 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833788297 605892026 /nfs/dbraw/zinc/89/20/26/605892026.db2.gz UHFUJELHPHQHSM-ILXRZTDVSA-N -1 1 365.499 2.629 20 30 FFEDMM S=C(NN=Cc1ccc(-c2nn[n-]n2)s1)Nc1cccc(Cl)c1 ZINC000823732930 606369826 /nfs/dbraw/zinc/36/98/26/606369826.db2.gz QCILYOVRVBHNQB-UHFFFAOYSA-N -1 1 363.859 2.902 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3ccc(F)cc32)o1 ZINC000820108499 606370227 /nfs/dbraw/zinc/37/02/27/606370227.db2.gz KRVLSFCOWXBXMB-UHFFFAOYSA-N -1 1 355.377 2.955 20 30 FFEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820842261 606562900 /nfs/dbraw/zinc/56/29/00/606562900.db2.gz LBNFSDNAXMTCMI-LBPRGKRZSA-N -1 1 368.422 2.539 20 30 FFEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820842261 606562901 /nfs/dbraw/zinc/56/29/01/606562901.db2.gz LBNFSDNAXMTCMI-LBPRGKRZSA-N -1 1 368.422 2.539 20 30 FFEDMM CC(C)(C)C1CCC(CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC1 ZINC000819907116 607145320 /nfs/dbraw/zinc/14/53/20/607145320.db2.gz MJZOBMKXSFSZLZ-UHFFFAOYSA-N -1 1 356.434 2.643 20 30 FFEDMM Cc1cccn2c(CN=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)cnc12 ZINC000826308412 607887578 /nfs/dbraw/zinc/88/75/78/607887578.db2.gz YGKZCSXKNVIWAO-UHFFFAOYSA-N -1 1 365.401 2.554 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc2c1OCCO2 ZINC000826178516 608092529 /nfs/dbraw/zinc/09/25/29/608092529.db2.gz AWRSYBCJSGOQRP-NSCUHMNNSA-N -1 1 370.390 2.604 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc2c1OCCO2 ZINC000826178516 608092530 /nfs/dbraw/zinc/09/25/30/608092530.db2.gz AWRSYBCJSGOQRP-NSCUHMNNSA-N -1 1 370.390 2.604 20 30 FFEDMM Cc1nn(-c2ccccc2)c(CN(CC#N)C2CCCC2)c1-c1nn[n-]n1 ZINC000826332058 608315226 /nfs/dbraw/zinc/31/52/26/608315226.db2.gz IKSFIIZZGRUHDL-UHFFFAOYSA-N -1 1 362.441 2.629 20 30 FFEDMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000826255766 609338253 /nfs/dbraw/zinc/33/82/53/609338253.db2.gz JSWUAFUUICFSAQ-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM C#CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000032742575 727924865 /nfs/dbraw/zinc/92/48/65/727924865.db2.gz QHSSBVCCYGTINH-UHFFFAOYSA-N -1 1 373.206 2.770 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000746492511 735488207 /nfs/dbraw/zinc/48/82/07/735488207.db2.gz XQZBGOXMLALHSI-UHFFFAOYSA-N -1 1 351.359 2.578 20 30 FFEDMM C#CCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)cc1 ZINC000108290933 728521032 /nfs/dbraw/zinc/52/10/32/728521032.db2.gz MDMCJWFRFHGLOX-UHFFFAOYSA-N -1 1 358.419 2.713 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)c(F)c2)c(=O)o1 ZINC000121705628 728636826 /nfs/dbraw/zinc/63/68/26/728636826.db2.gz GDROWWYNOXNTHH-LYKUJDHUSA-N -1 1 353.143 2.816 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)C#N)cc2)cc1C ZINC000125764243 728687274 /nfs/dbraw/zinc/68/72/74/728687274.db2.gz XRKGCKNSPDRDOV-AWEZNQCLSA-N -1 1 357.435 2.746 20 30 FFEDMM C#C[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000174445813 729072640 /nfs/dbraw/zinc/07/26/40/729072640.db2.gz DDUWMJZKXOLIMJ-LLVKDONJSA-N -1 1 365.357 2.944 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000185367184 729347960 /nfs/dbraw/zinc/34/79/60/729347960.db2.gz SRTQJPRKYNXCMT-AWEZNQCLSA-N -1 1 356.447 2.856 20 30 FFEDMM CNS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1 ZINC000255336718 729637070 /nfs/dbraw/zinc/63/70/70/729637070.db2.gz RXIFYZSKQTWPJD-WAPJZHGLSA-N -1 1 351.811 2.850 20 30 FFEDMM COC1CC(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000860452343 730513770 /nfs/dbraw/zinc/51/37/70/730513770.db2.gz WTFJASJCLXDVCJ-CBINBANVSA-N -1 1 357.435 2.877 20 30 FFEDMM COCCC1(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000780229432 738527727 /nfs/dbraw/zinc/52/77/27/738527727.db2.gz BXAUXZYIJDOOOB-UHFFFAOYSA-N -1 1 369.443 2.846 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)c2ccc(Cl)c(C#N)c2)[n-]c1=O ZINC000889789291 734224066 /nfs/dbraw/zinc/22/40/66/734224066.db2.gz BYJKOOMDOBFCJU-CYBMUJFWSA-N -1 1 358.785 2.693 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c1 ZINC000730996399 734661528 /nfs/dbraw/zinc/66/15/28/734661528.db2.gz NWZCZENOHUFCAP-UHFFFAOYSA-N -1 1 359.403 2.594 20 30 FFEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000750310771 735781813 /nfs/dbraw/zinc/78/18/13/735781813.db2.gz DOVHWSYKRSFLCO-NSHDSACASA-N -1 1 359.407 2.684 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c(F)cc1C#N ZINC000905106484 736297914 /nfs/dbraw/zinc/29/79/14/736297914.db2.gz URIREVBAZORSCD-UHFFFAOYSA-N -1 1 364.402 2.818 20 30 FFEDMM C#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000761061344 736691903 /nfs/dbraw/zinc/69/19/03/736691903.db2.gz WMNNUXAMAAYHTI-UHFFFAOYSA-N -1 1 359.403 2.676 20 30 FFEDMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(C#N)ccc1O ZINC000763429924 736937523 /nfs/dbraw/zinc/93/75/23/736937523.db2.gz CWCRLIMSMCPYRD-UHFFFAOYSA-N -1 1 366.782 2.725 20 30 FFEDMM N#Cc1ccc(NCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765730397 737149947 /nfs/dbraw/zinc/14/99/47/737149947.db2.gz ATCQOTBRGBBDNM-UHFFFAOYSA-N -1 1 360.211 2.755 20 30 FFEDMM C=CC[C@H](C)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914124919 737511706 /nfs/dbraw/zinc/51/17/06/737511706.db2.gz RGLHMXDGUSUONV-CHNSCGDPSA-N -1 1 356.391 2.832 20 30 FFEDMM N#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000917102772 737741232 /nfs/dbraw/zinc/74/12/32/737741232.db2.gz CUVWWXPSFHUWQK-UHFFFAOYSA-N -1 1 350.783 2.821 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000795362031 740010214 /nfs/dbraw/zinc/01/02/14/740010214.db2.gz SFGLITPPLUFRMT-UHFFFAOYSA-N -1 1 360.395 2.579 20 30 FFEDMM COC(=O)c1ccc(C(=O)OCc2cc(Br)cc(C#N)c2)[n-]1 ZINC000797205539 740223141 /nfs/dbraw/zinc/22/31/41/740223141.db2.gz BFJJRHUFGLCUEV-UHFFFAOYSA-N -1 1 363.167 2.792 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C(C)C ZINC000798472743 740336076 /nfs/dbraw/zinc/33/60/76/740336076.db2.gz UBLKSFDDSUHYKY-LLVKDONJSA-N -1 1 352.200 2.663 20 30 FFEDMM CC(C)(C)OC(=O)NC(=CNN=c1ncc(F)c[n-]1)CC(F)(F)F ZINC000814889118 741872674 /nfs/dbraw/zinc/87/26/74/741872674.db2.gz ZXTQCGUNKIMLCB-VIFPVBQESA-N -1 1 351.304 2.859 20 30 FFEDMM CC#CCCCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817490377 742153715 /nfs/dbraw/zinc/15/37/15/742153715.db2.gz PCIVVFNELHBUEE-CQSZACIVSA-N -1 1 352.356 2.816 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)o1 ZINC000839046750 746761658 /nfs/dbraw/zinc/76/16/58/746761658.db2.gz AGWHVNFKJHMSDK-RYUDHWBXSA-N -1 1 354.428 2.596 20 30 FFEDMM COCC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000839356398 746816330 /nfs/dbraw/zinc/81/63/30/746816330.db2.gz OKWOBIMUVWKAGQ-CYBMUJFWSA-N -1 1 361.186 2.976 20 30 FFEDMM C=CC[C@]1(C(=O)Nc2c(C)[n-][nH]c2=O)CCCN1C(=O)OC(C)(C)C ZINC000854635713 750342516 /nfs/dbraw/zinc/34/25/16/750342516.db2.gz VWALXLCLZSYVIW-QGZVFWFLSA-N -1 1 350.419 2.708 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)ccc1Br ZINC000091416368 845608060 /nfs/dbraw/zinc/60/80/60/845608060.db2.gz YXMSTQKQQNLXFN-LURJTMIESA-N -1 1 368.050 2.865 20 30 FFEDMM N#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000497540014 845923703 /nfs/dbraw/zinc/92/37/03/845923703.db2.gz PMNMDIAJRRNRAT-UHFFFAOYSA-N -1 1 363.826 2.784 20 30 FFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573326764 947377651 /nfs/dbraw/zinc/37/76/51/947377651.db2.gz UGHXHZYASTYBMH-AWEZNQCLSA-N -1 1 368.466 2.915 20 30 FFEDMM N#Cc1cc(Cl)nc(-n2[n-]c3c(c2=O)CCN(Cc2ccccc2)C3)c1 ZINC000871955645 1013122327 /nfs/dbraw/zinc/12/23/27/1013122327.db2.gz WWRVYDORBPJVKL-HNNXBMFYSA-N -1 1 365.824 2.831 20 30 FFEDMM O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC001174928793 1013331288 /nfs/dbraw/zinc/33/12/88/1013331288.db2.gz BTNOUOVZOAEPOK-UHFFFAOYSA-N -1 1 357.417 2.619 20 30 FFEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000899267312 977063531 /nfs/dbraw/zinc/06/35/31/977063531.db2.gz KDKPJMJURWFIBJ-HNNXBMFYSA-N -1 1 359.426 2.735 20 30 FFEDMM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1)c1nnc2n1CCCCC2 ZINC000126293200 978313681 /nfs/dbraw/zinc/31/36/81/978313681.db2.gz LDTNXDUJWULXQE-AWEZNQCLSA-N -1 1 364.384 2.819 20 30 FFEDMM C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1C(=O)Nc2c1ccc([O-])c2F ZINC000841635808 980520527 /nfs/dbraw/zinc/52/05/27/980520527.db2.gz BCNVLIWFDVXJES-JTQLQIEISA-N -1 1 371.368 2.527 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000909136273 981636846 /nfs/dbraw/zinc/63/68/46/981636846.db2.gz FYLBJGJAEYABRC-QAPCUYQASA-N -1 1 374.485 2.716 20 30 FFEDMM C#CC[C@H](NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC)C(=O)[O-] ZINC000910050033 981794067 /nfs/dbraw/zinc/79/40/67/981794067.db2.gz CIAVEWWBJXFTOF-LSDHHAIUSA-N -1 1 370.371 2.681 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])[C@@H](C#N)C1 ZINC001142509171 982465944 /nfs/dbraw/zinc/46/59/44/982465944.db2.gz ZJTDHRBDRYZRDQ-LBPRGKRZSA-N -1 1 353.369 2.615 20 30 FFEDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cccc(C#N)n3)CC2)c1[O-] ZINC000760913870 984570912 /nfs/dbraw/zinc/57/09/12/984570912.db2.gz YTYNRFGZJPHSBJ-UHFFFAOYSA-N -1 1 370.840 2.837 20 30 FFEDMM C#C[C@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000761211542 984905009 /nfs/dbraw/zinc/90/50/09/984905009.db2.gz LZHIINPEOIFYKH-AWEZNQCLSA-N -1 1 373.430 2.983 20 30 FFEDMM CN(N=Cc1n[nH]c2cc(C(=O)[O-])ccc12)C(=S)NCc1ccccc1 ZINC000765558358 985188193 /nfs/dbraw/zinc/18/81/93/985188193.db2.gz CAZKYRBKGGEWAN-UHFFFAOYSA-N -1 1 367.434 2.602 20 30 FFEDMM O=S1(=O)[N-]/C(=N/Cc2nc(CCC3CCCCC3)no2)c2ccccc21 ZINC000761756118 987773970 /nfs/dbraw/zinc/77/39/70/987773970.db2.gz RWHWNMSYVXIQHQ-UHFFFAOYSA-N -1 1 374.466 2.821 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cc(F)c(C#N)c(F)c2)c(F)c1 ZINC001212344366 991806151 /nfs/dbraw/zinc/80/61/51/991806151.db2.gz SMWYDXGFCXLBQG-UHFFFAOYSA-N -1 1 374.315 2.602 20 30 FFEDMM Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810196247 994728772 /nfs/dbraw/zinc/72/87/72/994728772.db2.gz XNEUNQSRKVKFIV-LBPRGKRZSA-N -1 1 368.359 2.789 20 30 FFEDMM C=CCOCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000679471823 1016071434 /nfs/dbraw/zinc/07/14/34/1016071434.db2.gz XEXQSWRHNTUFBE-UHFFFAOYSA-N -1 1 369.393 2.775 20 30 FFEDMM COC(=O)[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H]1c1ccccc1 ZINC001598899083 997139460 /nfs/dbraw/zinc/13/94/60/997139460.db2.gz WHZCJHMKNKYODW-RTBURBONSA-N -1 1 364.401 2.645 20 30 FFEDMM CC(C)=CC(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001143918613 997828883 /nfs/dbraw/zinc/82/88/83/997828883.db2.gz BAZZYAKWHSMBPG-UHFFFAOYSA-N -1 1 353.741 2.707 20 30 FFEDMM COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000740811955 999685121 /nfs/dbraw/zinc/68/51/21/999685121.db2.gz KJUDGCNQCDQPMM-UHFFFAOYSA-N -1 1 373.434 2.866 20 30 FFEDMM Cn1c2ccccc2c(C=Nn2c(=O)cn[n-]c2=S)c1-c1ccccc1 ZINC000766475090 999996394 /nfs/dbraw/zinc/99/63/94/999996394.db2.gz QWPGUPKVFMCKRT-UHFFFAOYSA-N -1 1 361.430 2.968 20 30 FFEDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785635453 1001465492 /nfs/dbraw/zinc/46/54/92/1001465492.db2.gz STFXLYCHNOXWQC-DOMZBBRYSA-N -1 1 359.426 2.639 20 30 FFEDMM COc1c([O-])c(C=Nn2cnc3sc(C)c(C)c3c2=O)ccc1[N+](=O)[O-] ZINC000773026259 1002176499 /nfs/dbraw/zinc/17/64/99/1002176499.db2.gz AMVFHWFVXISUKW-UHFFFAOYSA-N -1 1 374.378 2.579 20 30 FFEDMM CC1=C[C@@H]2[C@H]([C@@H](C)C(=O)N([O-])C(=N)c3nonc3N)CC[C@@H](C)[C@@H]2CC1 ZINC001184499777 1002641037 /nfs/dbraw/zinc/64/10/37/1002641037.db2.gz NENCERAFYDCATJ-DGTMBMJNSA-N -1 1 361.446 2.850 20 30 FFEDMM C#C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(Br)s1 ZINC001184626566 1002666419 /nfs/dbraw/zinc/66/64/19/1002666419.db2.gz LVXUIJRDCYOSLD-YFKPBYRVSA-N -1 1 373.091 2.573 20 30 FFEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC)n2)cc1 ZINC000791774537 1002797564 /nfs/dbraw/zinc/79/75/64/1002797564.db2.gz XYNLQTFKPXWKLN-SWLSCSKDSA-N -1 1 352.394 2.960 20 30 FFEDMM CCOC(=O)c1nc([C@@H](C)Nc2c(Br)cccc2C#N)n[n-]1 ZINC001186989813 1003502699 /nfs/dbraw/zinc/50/26/99/1003502699.db2.gz NAHUSZBRSXIUIO-MRVPVSSYSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1nnc([C@@H](C)Nc2c(Br)cccc2C#N)[n-]1 ZINC001186989813 1003502704 /nfs/dbraw/zinc/50/27/04/1003502704.db2.gz NAHUSZBRSXIUIO-MRVPVSSYSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2c(Br)cccc2C#N)n1 ZINC001186989813 1003502712 /nfs/dbraw/zinc/50/27/12/1003502712.db2.gz NAHUSZBRSXIUIO-MRVPVSSYSA-N -1 1 364.203 2.789 20 30 FFEDMM Cc1ncc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)n1C 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360.410 2.810 20 30 FFEDMM COc1ccc(OC)c(CN2CCN(Cc3cc(C#N)ccc3[O-])CC2)c1 ZINC001232676623 1035931766 /nfs/dbraw/zinc/93/17/66/1035931766.db2.gz OOVFOCZKXFZWIE-UHFFFAOYSA-N -1 1 367.449 2.599 20 30 FFEDMM CC1=C(Oc2ccc(S(=O)(=O)c3ccc([O-])cc3)cc2)C(=O)[C@H](C)O1 ZINC001228170628 1035971922 /nfs/dbraw/zinc/97/19/22/1035971922.db2.gz AFLAJBUHPNCPEF-NSHDSACASA-N -1 1 360.387 2.823 20 30 FFEDMM COC(=O)c1n[n-]c(OC(c2ccc(C#N)cc2)c2ccc(C#N)cc2)n1 ZINC001228309975 1036042815 /nfs/dbraw/zinc/04/28/15/1036042815.db2.gz CCJXDEPHTFRVKW-UHFFFAOYSA-N -1 1 359.345 2.503 20 30 FFEDMM COC(=O)c1nc(OC(c2ccc(C#N)cc2)c2ccc(C#N)cc2)n[n-]1 ZINC001228309975 1036042834 /nfs/dbraw/zinc/04/28/34/1036042834.db2.gz CCJXDEPHTFRVKW-UHFFFAOYSA-N -1 1 359.345 2.503 20 30 FFEDMM N#CCCN1CC(Oc2[n-]c(=S)nc3ccc(Br)cc32)C1 ZINC001228648723 1036232376 /nfs/dbraw/zinc/23/23/76/1036232376.db2.gz YBMJVDPNRABFHZ-UHFFFAOYSA-N -1 1 365.256 2.658 20 30 FFEDMM N#Cc1ccnc(N2CCC(Oc3cc([O-])cc4oc(=O)ccc34)CC2)c1 ZINC001229135189 1036515854 /nfs/dbraw/zinc/51/58/54/1036515854.db2.gz LZVGWVIUHCKXHZ-UHFFFAOYSA-N -1 1 363.373 2.813 20 30 FFEDMM O=C1C=C[C@H](Oc2cc(/C=C3\Oc4cc([O-])ccc4C3=O)ccc2O)C1 ZINC001229211972 1036555506 /nfs/dbraw/zinc/55/55/06/1036555506.db2.gz PPUNBNQOLZFURY-VDIXJHOCSA-N -1 1 350.326 2.990 20 30 FFEDMM CC(=O)N1CC(Oc2cc([O-])ccc2C(=O)/C=C/c2ccc(O)cc2)C1 ZINC001229271049 1036590919 /nfs/dbraw/zinc/59/09/19/1036590919.db2.gz UQTXIEINCPRMJX-RUDMXATFSA-N -1 1 353.374 2.603 20 30 FFEDMM Cc1cc([O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1[N+](=O)[O-] ZINC001229750490 1036870999 /nfs/dbraw/zinc/87/09/99/1036870999.db2.gz NSCGVOMZFUKHEB-XHDPSFHLSA-N -1 1 363.370 2.747 20 30 FFEDMM C#CC[C@H](C)Oc1cc(C(=O)OC)cc([O-])c1I ZINC001234434349 1037035547 /nfs/dbraw/zinc/03/55/47/1037035547.db2.gz SPXCDPWLFHFFSJ-QMMMGPOBSA-N -1 1 360.147 2.574 20 30 FFEDMM C#CC[C@H](CC)Oc1cc(C(=O)OC)cc([O-])c1I ZINC001234433492 1037035688 /nfs/dbraw/zinc/03/56/88/1037035688.db2.gz IIHMTZSNXNMCIL-JTQLQIEISA-N -1 1 374.174 2.964 20 30 FFEDMM N#C[C@@H](Oc1c(C(N)=O)nc[n-]c1=O)c1cccc(Oc2ccccc2)c1 ZINC001234468251 1037049189 /nfs/dbraw/zinc/04/91/89/1037049189.db2.gz PPIIBDYBDNATDT-OAHLLOKOSA-N -1 1 362.345 2.717 20 30 FFEDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001234476202 1037052849 /nfs/dbraw/zinc/05/28/49/1037052849.db2.gz LPNNMSQPFNVWPN-INIZCTEOSA-N -1 1 352.390 2.825 20 30 FFEDMM C=C(C)C(=O)OC[C@H](C)Oc1c(C(=O)OC)nc(-c2ccccc2)[n-]c1=O ZINC001234557536 1037084071 /nfs/dbraw/zinc/08/40/71/1037084071.db2.gz JKOKVFVOMCJYMX-LBPRGKRZSA-N -1 1 372.377 2.522 20 30 FFEDMM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282785 1037194165 /nfs/dbraw/zinc/19/41/65/1037194165.db2.gz YVCNEUKBKJZVSM-LLVKDONJSA-N -1 1 354.284 2.675 20 30 FFEDMM COc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258045007 1039142138 /nfs/dbraw/zinc/14/21/38/1039142138.db2.gz CWOJAJNEFYAQSH-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM CC(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC001258109654 1039177873 /nfs/dbraw/zinc/17/78/73/1039177873.db2.gz YDWPANVVUKTXIV-UHFFFAOYSA-N -1 1 364.448 2.541 20 30 FFEDMM CC(=O)N1CC2(CC2)c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC001258116632 1039187645 /nfs/dbraw/zinc/18/76/45/1039187645.db2.gz PUKYVBPPPOLHPT-UHFFFAOYSA-N -1 1 367.430 2.757 20 30 FFEDMM COC(=O)[C@H]1CCc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC001258135985 1039213895 /nfs/dbraw/zinc/21/38/95/1039213895.db2.gz LKNIEEUJHIABPW-KRWDZBQOSA-N -1 1 356.403 2.562 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@@H](c1ccc(O)cc1)C(F)(F)F ZINC001258319663 1039312582 /nfs/dbraw/zinc/31/25/82/1039312582.db2.gz CRTDLUQSSUFQKP-AWEZNQCLSA-N -1 1 356.325 2.846 20 30 FFEDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(C#N)c(F)c1)C(=O)C2 ZINC001258972666 1039630161 /nfs/dbraw/zinc/63/01/61/1039630161.db2.gz KDUSKBDYDSZKMP-SJCJKPOMSA-N -1 1 350.415 2.834 20 30 FFEDMM C#CCCOc1ccc(C(=O)Nc2[n-]c(C(=O)OC)cc2C(C)=O)cc1 ZINC001537615166 1070221475 /nfs/dbraw/zinc/22/14/75/1070221475.db2.gz GAEIBRDEXWNLMQ-UHFFFAOYSA-N -1 1 354.362 2.658 20 30 FFEDMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC001252821262 1039716648 /nfs/dbraw/zinc/71/66/48/1039716648.db2.gz AGZHDQJUYOXQRG-UHFFFAOYSA-N -1 1 374.418 2.579 20 30 FFEDMM CC(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259124439 1039732027 /nfs/dbraw/zinc/73/20/27/1039732027.db2.gz KRNIGJOXJCTOJZ-UHFFFAOYSA-N -1 1 357.435 2.745 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1F ZINC001259418811 1039987971 /nfs/dbraw/zinc/98/79/71/1039987971.db2.gz SKZMZWCXGCVQGX-UHFFFAOYSA-N -1 1 368.361 2.662 20 30 FFEDMM COC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC001259419634 1039989205 /nfs/dbraw/zinc/98/92/05/1039989205.db2.gz LPCQKHYUFGSRNJ-RUDMXATFSA-N -1 1 360.366 2.684 20 30 FFEDMM COc1ccc(CN2CC[C@@](C)(C#N)C2)c([O-])c1I ZINC001248498979 1040302443 /nfs/dbraw/zinc/30/24/43/1040302443.db2.gz XMSYIGUETOXGKD-AWEZNQCLSA-N -1 1 372.206 2.741 20 30 FFEDMM C=CCOC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190081 1040446769 /nfs/dbraw/zinc/44/67/69/1040446769.db2.gz ABVSVNMVGJUUIC-UHFFFAOYSA-N -1 1 361.375 2.528 20 30 FFEDMM C#Cc1cccc(N(C)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC001215465335 1041793291 /nfs/dbraw/zinc/79/32/91/1041793291.db2.gz UIYTYMMJCQJUJX-UHFFFAOYSA-N -1 1 373.434 2.716 20 30 FFEDMM COc1cnc(C(C)(C)NC(=O)Nc2ccc(C#N)cc2Cl)[n-]c1=O ZINC001215837670 1041893724 /nfs/dbraw/zinc/89/37/24/1041893724.db2.gz BVBAGYPKXHBVTK-UHFFFAOYSA-N -1 1 361.789 2.773 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001263288448 1042223570 /nfs/dbraw/zinc/22/35/70/1042223570.db2.gz SKMDMTBXHKMZCY-VHSXEESVSA-N -1 1 353.883 2.623 20 30 FFEDMM COCc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC001263313996 1042236429 /nfs/dbraw/zinc/23/64/29/1042236429.db2.gz BOKSHRBNDWBRHY-SNVBAGLBSA-N -1 1 359.336 2.801 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001263322468 1042240246 /nfs/dbraw/zinc/24/02/46/1042240246.db2.gz OQBUOOWYMDJPCE-CQSZACIVSA-N -1 1 360.462 2.735 20 30 FFEDMM Cc1c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cnn1-c1ccncc1 ZINC001263471475 1042331070 /nfs/dbraw/zinc/33/10/70/1042331070.db2.gz CUSCHGNNFDTLFH-SFHVURJKSA-N -1 1 373.416 2.523 20 30 FFEDMM COC(=O)c1ccc([C@H]2CCCCN2C(=O)c2ccc(C#N)c([O-])c2)n1C ZINC001264008881 1042579244 /nfs/dbraw/zinc/57/92/44/1042579244.db2.gz DNYGXYGPYRJQBE-MRXNPFEDSA-N -1 1 367.405 2.756 20 30 FFEDMM C=C(C)COc1cccc(NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001310256368 1043657957 /nfs/dbraw/zinc/65/79/57/1043657957.db2.gz FNVBJTSVEASIFO-UHFFFAOYSA-N -1 1 370.409 2.532 20 30 FFEDMM CCOC(=O)[C@H]1CCCN(c2ccc(-c3ccc([O-])c(C#N)c3)nn2)C1 ZINC001242562633 1044751712 /nfs/dbraw/zinc/75/17/12/1044751712.db2.gz DNVQPGLNAGQPOX-AWEZNQCLSA-N -1 1 352.394 2.500 20 30 FFEDMM CN(C(=O)C1CC1)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001334017766 1049203641 /nfs/dbraw/zinc/20/36/41/1049203641.db2.gz WNRNQWAVWQPEKB-UHFFFAOYSA-N -1 1 369.446 2.926 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC001294243944 1049718245 /nfs/dbraw/zinc/71/82/45/1049718245.db2.gz STPWEJWAURHPBG-OAHLLOKOSA-N -1 1 358.829 2.653 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001341854986 1050467254 /nfs/dbraw/zinc/46/72/54/1050467254.db2.gz WGGMZYWZCACIJB-ZFWWWQNUSA-N -1 1 350.430 2.622 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001341854986 1050467256 /nfs/dbraw/zinc/46/72/56/1050467256.db2.gz WGGMZYWZCACIJB-ZFWWWQNUSA-N -1 1 350.430 2.622 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](C2CC2)C1 ZINC001342040831 1050638162 /nfs/dbraw/zinc/63/81/62/1050638162.db2.gz VPUZYWKYYCAIFL-CQSZACIVSA-N -1 1 352.442 2.740 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC2(COC2)C1 ZINC001342188403 1050780767 /nfs/dbraw/zinc/78/07/67/1050780767.db2.gz IOIASVKSKSUVDE-UHFFFAOYSA-N -1 1 361.833 2.502 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)[C@H]1CC[C@H]1OC ZINC001342294941 1050887491 /nfs/dbraw/zinc/88/74/91/1050887491.db2.gz YSTUTMZATZSVHR-GXTWGEPZSA-N -1 1 363.849 2.889 20 30 FFEDMM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1 ZINC001302938099 1051232674 /nfs/dbraw/zinc/23/26/74/1051232674.db2.gz QRAXFQVYQLDIDY-INIZCTEOSA-N -1 1 374.404 2.802 20 30 FFEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C(=O)NCCO3)n1 ZINC001342739853 1051355349 /nfs/dbraw/zinc/35/53/49/1051355349.db2.gz BRARZVACERNLQJ-CYBMUJFWSA-N -1 1 355.419 2.879 20 30 FFEDMM C=CCOc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001309192797 1052571384 /nfs/dbraw/zinc/57/13/84/1052571384.db2.gz CGBIWTKCNZIEOR-UHFFFAOYSA-N -1 1 373.390 2.510 20 30 FFEDMM COc1ccc([O-])c(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC001309217286 1052576640 /nfs/dbraw/zinc/57/66/40/1052576640.db2.gz NOEIKSLTZUKDOS-IAGOWNOFSA-N -1 1 372.446 2.861 20 30 FFEDMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2c(C)cccc2C#N)no1 ZINC001309418686 1052615841 /nfs/dbraw/zinc/61/58/41/1052615841.db2.gz QZEPNCVEOHUNML-UHFFFAOYSA-N -1 1 368.418 2.704 20 30 FFEDMM C=C(C)CN(CC)c1nnc(-c2nc(Cl)n[n-]2)n1C[C@H]1CCCCO1 ZINC001344254269 1052660110 /nfs/dbraw/zinc/66/01/10/1052660110.db2.gz OITCJUWOERABQK-GFCCVEGCSA-N -1 1 365.869 2.688 20 30 FFEDMM C#C[C@H](C)N(C)c1nnc(-c2cc(Cl)ncc2[O-])n1CCCOCC ZINC001344363488 1052734797 /nfs/dbraw/zinc/73/47/97/1052734797.db2.gz SRYNYXSHDGVYHM-LBPRGKRZSA-N -1 1 363.849 2.584 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001356153092 1055338122 /nfs/dbraw/zinc/33/81/22/1055338122.db2.gz UNCLNYZPYKEPTB-ACJLOTCBSA-N -1 1 367.844 2.681 20 30 FFEDMM Cn1ccnc1C(C#N)=C([O-])c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC001356578069 1055593524 /nfs/dbraw/zinc/59/35/24/1055593524.db2.gz KQNLTWDQHASKEZ-ZDUSSCGKSA-N -1 1 367.359 2.863 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCS[C@H](C)C1 ZINC001339098005 1056089885 /nfs/dbraw/zinc/08/98/85/1056089885.db2.gz WPZAGYUHKXEOSE-SNVBAGLBSA-N -1 1 351.863 2.827 20 30 FFEDMM C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC001339580501 1056605309 /nfs/dbraw/zinc/60/53/09/1056605309.db2.gz HHNHOETUZIRXKS-UMSGYPCISA-N -1 1 371.407 2.623 20 30 FFEDMM COc1cc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)ccc1F ZINC001200551470 1058549418 /nfs/dbraw/zinc/54/94/18/1058549418.db2.gz LAMQQSZIMKJARU-UHFFFAOYSA-N -1 1 363.410 2.758 20 30 FFEDMM C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2[O-])n1CCOC ZINC001514581899 1058997503 /nfs/dbraw/zinc/99/75/03/1058997503.db2.gz OOQHMVPHIVDDNW-UHFFFAOYSA-N -1 1 366.849 2.589 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC2(CC2(F)F)CC1 ZINC001515032393 1059240623 /nfs/dbraw/zinc/24/06/23/1059240623.db2.gz VPCCZOHPZQTISG-UHFFFAOYSA-N -1 1 369.807 2.918 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(CCOC)Cc1ccccc1 ZINC001515758501 1059782963 /nfs/dbraw/zinc/78/29/63/1059782963.db2.gz NFXLDLAHPCAUMG-UHFFFAOYSA-N -1 1 368.441 2.603 20 30 FFEDMM Cc1nsc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1C#N ZINC001459427703 1060759444 /nfs/dbraw/zinc/75/94/44/1060759444.db2.gz PEODWGSEDQJASF-UHFFFAOYSA-N -1 1 360.351 2.645 20 30 FFEDMM N#Cc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C2 ZINC001475608451 1061163141 /nfs/dbraw/zinc/16/31/41/1061163141.db2.gz OBIXDLRZPYAYPF-ZDUSSCGKSA-N -1 1 368.245 2.706 20 30 FFEDMM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ncccc2Br)nc1 ZINC001527852711 1061654075 /nfs/dbraw/zinc/65/40/75/1061654075.db2.gz YVPGSGBZLMBABK-UHFFFAOYSA-N -1 1 367.153 2.519 20 30 FFEDMM C=CCOc1ccc(CC(=O)Nc2[n-]c(C(=O)OC)cc2C(C)=O)cc1 ZINC001462731675 1061745965 /nfs/dbraw/zinc/74/59/65/1061745965.db2.gz KHOFPWWAOKAJIM-UHFFFAOYSA-N -1 1 356.378 2.750 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2c(F)cc(F)cc2C1 ZINC001524216920 1062760464 /nfs/dbraw/zinc/76/04/64/1062760464.db2.gz VCVRNDQHENICMA-UHFFFAOYSA-N -1 1 372.379 2.791 20 30 FFEDMM N#Cc1ncc(N[C@H]2CCCOc3cc(Cl)ccc32)nc1-c1nn[n-]n1 ZINC001581883154 1079012305 /nfs/dbraw/zinc/01/23/05/1079012305.db2.gz PTIYMSCHULTHGU-NSHDSACASA-N -1 1 368.788 2.508 20 30 FFEDMM N#Cc1ncc(Nc2ccc3nc(C4CC4)sc3c2)nc1-c1nn[n-]n1 ZINC001581885258 1079013340 /nfs/dbraw/zinc/01/33/40/1079013340.db2.gz UEGKIAJDASUCRM-UHFFFAOYSA-N -1 1 361.394 2.759 20 30 FFEDMM C#C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Br)cc1 ZINC001556781769 1075775155 /nfs/dbraw/zinc/77/51/55/1075775155.db2.gz NXSPPBHJROHXHU-HNNXBMFYSA-N -1 1 358.191 2.828 20 30 FFEDMM C#C[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(Br)cc1 ZINC001588328960 1079986116 /nfs/dbraw/zinc/98/61/16/1079986116.db2.gz USWULEFLRYACDS-LBPRGKRZSA-N -1 1 370.214 2.514 20 30 FFEDMM C#C[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(Br)cc1 ZINC001588328960 1079986123 /nfs/dbraw/zinc/98/61/23/1079986123.db2.gz USWULEFLRYACDS-LBPRGKRZSA-N -1 1 370.214 2.514 20 30 FFEDMM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001588402762 1080010875 /nfs/dbraw/zinc/01/08/75/1080010875.db2.gz MRMJITPOLAFYRY-ZDUSSCGKSA-N -1 1 374.514 2.611 20 30 FFEDMM C#CCN(Cc1cncc(C(=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588471204 1080039821 /nfs/dbraw/zinc/03/98/21/1080039821.db2.gz FEPKOARPKYEFOW-UHFFFAOYSA-N -1 1 373.453 2.615 20 30 FFEDMM C#Cc1ccc(NC(=O)CCN2CCOc3c(cccc3C(=O)[O-])C2)cc1 ZINC001588516751 1080068808 /nfs/dbraw/zinc/06/88/08/1080068808.db2.gz AOSKSTBKLVCXBR-UHFFFAOYSA-N -1 1 364.401 2.589 20 30 FFEDMM C=CCCCC(=O)N(C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588583268 1080108402 /nfs/dbraw/zinc/10/84/02/1080108402.db2.gz WNQMEPMXSJTRCB-SECBINFHSA-N -1 1 369.882 2.592 20 30 FFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001588634988 1080130943 /nfs/dbraw/zinc/13/09/43/1080130943.db2.gz AXKRWSNJDGCHFJ-UHFFFAOYSA-N -1 1 360.830 2.805 20 30 FFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001588634988 1080130948 /nfs/dbraw/zinc/13/09/48/1080130948.db2.gz AXKRWSNJDGCHFJ-UHFFFAOYSA-N -1 1 360.830 2.805 20 30 FFEDMM C=CCn1ncc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc21 ZINC001588717277 1080168432 /nfs/dbraw/zinc/16/84/32/1080168432.db2.gz XHGPBPGXRVSAPD-UHFFFAOYSA-N -1 1 351.395 2.716 20 30 FFEDMM C=CCn1ncc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc21 ZINC001588717277 1080168436 /nfs/dbraw/zinc/16/84/36/1080168436.db2.gz XHGPBPGXRVSAPD-UHFFFAOYSA-N -1 1 351.395 2.716 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cn2c(n1)CCCC2 ZINC001588781069 1080192944 /nfs/dbraw/zinc/19/29/44/1080192944.db2.gz BKRHBPGOLZHUIL-UHFFFAOYSA-N -1 1 369.433 2.521 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(F)c(O)c1 ZINC001588781341 1080193839 /nfs/dbraw/zinc/19/38/39/1080193839.db2.gz VRWFPAINXHREGG-UHFFFAOYSA-N -1 1 359.365 2.833 20 30 FFEDMM C=CCCC[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC001588797308 1080200573 /nfs/dbraw/zinc/20/05/73/1080200573.db2.gz CAIRGVLPOWPYOL-GFCCVEGCSA-N -1 1 366.215 2.865 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnn(C3CCC3)c2)o1 ZINC001589238077 1080440146 /nfs/dbraw/zinc/44/01/46/1080440146.db2.gz ODBHJQMYHNWOMA-UHFFFAOYSA-N -1 1 355.406 2.520 20 30 FFEDMM CCN(CC)[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccccc1Cl ZINC001589723240 1080686915 /nfs/dbraw/zinc/68/69/15/1080686915.db2.gz XUQNOGJRUSVWCU-YJBOKZPZSA-N -1 1 365.861 2.844 20 30 FFEDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C2CC2)no1 ZINC000103160491 250137973 /nfs/dbraw/zinc/13/79/73/250137973.db2.gz WQCMIVVJQPTMHY-CQSZACIVSA-N -1 1 364.402 2.633 20 30 FFEDMM CCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000067687903 506976148 /nfs/dbraw/zinc/97/61/48/506976148.db2.gz KCRGBMUSZCGDBI-UHFFFAOYSA-N -1 1 361.398 2.612 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)OCCCO3)n1 ZINC000067896549 507043981 /nfs/dbraw/zinc/04/39/81/507043981.db2.gz VGIZCJBGXMVDDY-LBPRGKRZSA-N -1 1 372.402 2.971 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1C(=O)NC(C)C ZINC000108762075 507917218 /nfs/dbraw/zinc/91/72/18/507917218.db2.gz XDNZDXGISJXDES-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM Cc1ocnc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000105754696 508384718 /nfs/dbraw/zinc/38/47/18/508384718.db2.gz TUJYVGDQJCOPNO-SNVBAGLBSA-N -1 1 354.391 2.650 20 30 FFEDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C2CC2)n1 ZINC000122273084 508510246 /nfs/dbraw/zinc/51/02/46/508510246.db2.gz GNPUZGXBYZKXQG-AWEZNQCLSA-N -1 1 351.428 2.892 20 30 FFEDMM CCC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000116488220 508520214 /nfs/dbraw/zinc/52/02/14/508520214.db2.gz PHXKTNVQZOQDHR-INIZCTEOSA-N -1 1 357.435 2.909 20 30 FFEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000116801550 508563899 /nfs/dbraw/zinc/56/38/99/508563899.db2.gz MDJBQPHPKNWOAP-YVEFUNNKSA-N -1 1 367.471 2.559 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N[C@H](CCC#N)c2ccccc2)c(=O)[n-]1 ZINC000153323215 508571855 /nfs/dbraw/zinc/57/18/55/508571855.db2.gz AFOBZFFTZDTTNX-MRXNPFEDSA-N -1 1 370.478 2.894 20 30 FFEDMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158023708 508646832 /nfs/dbraw/zinc/64/68/32/508646832.db2.gz NMKPSVLUKNJZOM-UHFFFAOYSA-N -1 1 351.334 2.596 20 30 FFEDMM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000154419000 508780142 /nfs/dbraw/zinc/78/01/42/508780142.db2.gz CYPALDYGULDWLM-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM Cc1ccc(C#N)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000371481797 512427884 /nfs/dbraw/zinc/42/78/84/512427884.db2.gz FLDLRYGZCXBSJT-UHFFFAOYSA-N -1 1 359.389 2.914 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C#N)CC3)c2)c1 ZINC000160835805 509038513 /nfs/dbraw/zinc/03/85/13/509038513.db2.gz DYFVZNPLESBAPJ-UHFFFAOYSA-N -1 1 355.419 2.582 20 30 FFEDMM CC#CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000126663485 509109336 /nfs/dbraw/zinc/10/93/36/509109336.db2.gz IAMJEQMUXIPLND-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(OCCCC#N)c1 ZINC000266776054 509188931 /nfs/dbraw/zinc/18/89/31/509188931.db2.gz LIJVDIQAUNFCOP-UHFFFAOYSA-N -1 1 364.379 2.770 20 30 FFEDMM CN1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189071300 509397979 /nfs/dbraw/zinc/39/79/79/509397979.db2.gz RDLDRQREUHLIRB-WMZOPIPTSA-N -1 1 357.360 2.717 20 30 FFEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccccc3CC#N)cc21 ZINC000193357922 509880430 /nfs/dbraw/zinc/88/04/30/509880430.db2.gz SSWQQJSSYXUANJ-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000177128582 509888901 /nfs/dbraw/zinc/88/89/01/509888901.db2.gz SKCJCHQJGTVQEX-VIFPVBQESA-N -1 1 367.333 2.784 20 30 FFEDMM C=C(C)C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000184227545 510204959 /nfs/dbraw/zinc/20/49/59/510204959.db2.gz TZAVLFCOSNJFJN-CYBMUJFWSA-N -1 1 352.456 2.718 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)C#N)ccc2C)c1 ZINC000171848100 510407145 /nfs/dbraw/zinc/40/71/45/510407145.db2.gz DGVZGZWEMAWFSW-CQSZACIVSA-N -1 1 371.462 2.994 20 30 FFEDMM N#Cc1cccc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)c1 ZINC000195213021 510720158 /nfs/dbraw/zinc/72/01/58/510720158.db2.gz UUNJNFHISGNTCZ-UHFFFAOYSA-N -1 1 364.430 2.806 20 30 FFEDMM N#Cc1cccc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)c1 ZINC000195213021 510720169 /nfs/dbraw/zinc/72/01/69/510720169.db2.gz UUNJNFHISGNTCZ-UHFFFAOYSA-N -1 1 364.430 2.806 20 30 FFEDMM C=CCCc1noc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000297293155 510890419 /nfs/dbraw/zinc/89/04/19/510890419.db2.gz LXWUMSSKRCATAP-UHFFFAOYSA-N -1 1 361.345 2.686 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000280023957 511307898 /nfs/dbraw/zinc/30/78/98/511307898.db2.gz VDGGGGRKXHOVFP-KRWDZBQOSA-N -1 1 358.419 2.721 20 30 FFEDMM N#C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCN1Cc1ccccc1 ZINC000281054842 511703724 /nfs/dbraw/zinc/70/37/24/511703724.db2.gz XZVJMAPZGZYVHA-AWEZNQCLSA-N -1 1 357.360 2.521 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000327089437 511869852 /nfs/dbraw/zinc/86/98/52/511869852.db2.gz IWJZWRIGEILWII-UHFFFAOYSA-N -1 1 352.318 2.989 20 30 FFEDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnc(C#N)n2)cc1 ZINC000378019859 512552485 /nfs/dbraw/zinc/55/24/85/512552485.db2.gz SMASBIVXDMYOOK-UHFFFAOYSA-N -1 1 353.407 2.502 20 30 FFEDMM N#CC1(NC(=O)c2cc(F)c([O-])c(F)c2)CCN(Cc2ccccc2)CC1 ZINC000368151871 512822405 /nfs/dbraw/zinc/82/24/05/512822405.db2.gz OBEZKOZOHYWZPE-UHFFFAOYSA-N -1 1 371.387 2.959 20 30 FFEDMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)n1C ZINC000370490591 512960600 /nfs/dbraw/zinc/96/06/00/512960600.db2.gz IGDWKGYPNLEOQI-UHFFFAOYSA-N -1 1 367.434 2.771 20 30 FFEDMM C=C[C@@H](CCC(=O)[O-])NCc1cc(OC)c(OC)cc1Br ZINC000417634532 513126663 /nfs/dbraw/zinc/12/66/63/513126663.db2.gz ZBZBBDJFYGCIRF-NSHDSACASA-N -1 1 358.232 2.975 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(C#N)c(C#N)c2C)c(=O)[n-]1 ZINC000421559251 513307750 /nfs/dbraw/zinc/30/77/50/513307750.db2.gz OJHOWGCPJUXRBT-UHFFFAOYSA-N -1 1 367.434 2.836 20 30 FFEDMM O=c1[n-]nc([C@@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)o1 ZINC000450894143 513387636 /nfs/dbraw/zinc/38/76/36/513387636.db2.gz FHGAWYUYCGBZLP-CYBMUJFWSA-N -1 1 367.327 2.905 20 30 FFEDMM N#Cc1ccccc1CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000429881342 513489499 /nfs/dbraw/zinc/48/94/99/513489499.db2.gz DYQICAHOKMZPBR-UHFFFAOYSA-N -1 1 358.810 2.971 20 30 FFEDMM N#Cc1ccccc1CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000429881342 513489505 /nfs/dbraw/zinc/48/95/05/513489505.db2.gz DYQICAHOKMZPBR-UHFFFAOYSA-N -1 1 358.810 2.971 20 30 FFEDMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435719986 513666391 /nfs/dbraw/zinc/66/63/91/513666391.db2.gz SOZABEVDCZKTAY-CYBMUJFWSA-N -1 1 373.434 2.641 20 30 FFEDMM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccccc1 ZINC000451309818 513668307 /nfs/dbraw/zinc/66/83/07/513668307.db2.gz DTJHEFBSCFJEGN-OAHLLOKOSA-N -1 1 364.467 2.683 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1NC(C)=O ZINC000435720952 513668538 /nfs/dbraw/zinc/66/85/38/513668538.db2.gz GKDVGCFISZDLLX-UHFFFAOYSA-N -1 1 359.407 2.635 20 30 FFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000443417001 513964478 /nfs/dbraw/zinc/96/44/78/513964478.db2.gz MAELIKGVFDLCJP-UHFFFAOYSA-N -1 1 360.435 2.714 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1F ZINC000427105343 514118042 /nfs/dbraw/zinc/11/80/42/514118042.db2.gz XRHBWMODUHFBII-UHFFFAOYSA-N -1 1 374.397 2.782 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F ZINC000424216706 514420941 /nfs/dbraw/zinc/42/09/41/514420941.db2.gz UCWLEGRRSBRMDT-LURJTMIESA-N -1 1 357.151 2.550 20 30 FFEDMM N#CCCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000462039496 514845642 /nfs/dbraw/zinc/84/56/42/514845642.db2.gz ZEPXJAFGHIPKBH-UHFFFAOYSA-N -1 1 357.435 2.797 20 30 FFEDMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000484980212 514863296 /nfs/dbraw/zinc/86/32/96/514863296.db2.gz ZFMHPPYNSZBFOR-UHFFFAOYSA-N -1 1 374.418 2.693 20 30 FFEDMM C=CCC(C)(C)C(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000509222870 515082071 /nfs/dbraw/zinc/08/20/71/515082071.db2.gz DWUPXJRTCCHKCB-UHFFFAOYSA-N -1 1 356.426 2.867 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2-n2cccn2)cc1C#N ZINC000476951525 515261834 /nfs/dbraw/zinc/26/18/34/515261834.db2.gz KXGISYVWHQVKMZ-UHFFFAOYSA-N -1 1 351.391 2.819 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)CCCCC1 ZINC000510055385 515419633 /nfs/dbraw/zinc/41/96/33/515419633.db2.gz KTJZVIFXBIEDBV-UHFFFAOYSA-N -1 1 360.439 2.630 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000463790921 515617005 /nfs/dbraw/zinc/61/70/05/515617005.db2.gz RPGSMELJQPTSDF-GFCCVEGCSA-N -1 1 374.418 2.946 20 30 FFEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)CC2(C#N)CCCCC2)o1 ZINC000460467068 516159808 /nfs/dbraw/zinc/15/98/08/516159808.db2.gz FJJHAYPUZBQVOG-HNNXBMFYSA-N -1 1 354.472 2.923 20 30 FFEDMM C=CCN(C(=O)c1cnc2n(C)[n-]cc-2c1=O)c1nc2c(s1)CCCC2 ZINC000512182985 516186204 /nfs/dbraw/zinc/18/62/04/516186204.db2.gz LEIQXIDUVKTRJM-UHFFFAOYSA-N -1 1 369.450 2.842 20 30 FFEDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1cccc(Cl)c1 ZINC000557784553 516437212 /nfs/dbraw/zinc/43/72/12/516437212.db2.gz JLCJNHIMYKSPGG-LBPRGKRZSA-N -1 1 354.815 2.941 20 30 FFEDMM N#CCc1ccnc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000562487504 517139240 /nfs/dbraw/zinc/13/92/40/517139240.db2.gz AVJHEADQHUKQJS-UHFFFAOYSA-N -1 1 366.240 2.852 20 30 FFEDMM CC1([C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])CCCCC1 ZINC000548684425 517144958 /nfs/dbraw/zinc/14/49/58/517144958.db2.gz HFWADMRUFGFGIT-CQSZACIVSA-N -1 1 372.393 2.538 20 30 FFEDMM N#CCN1CCC[C@@H](CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000548943936 517318163 /nfs/dbraw/zinc/31/81/63/517318163.db2.gz CJPDCLCTLJWUQB-LBPRGKRZSA-N -1 1 358.829 2.559 20 30 FFEDMM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000556393761 517407546 /nfs/dbraw/zinc/40/75/46/517407546.db2.gz VQRJHJOILSBGRD-UHFFFAOYSA-N -1 1 352.774 2.512 20 30 FFEDMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccc(CC#N)cc3)n2)cc1 ZINC000559984701 517518373 /nfs/dbraw/zinc/51/83/73/517518373.db2.gz OKLYEUNTPXYCSL-UHFFFAOYSA-N -1 1 352.419 2.820 20 30 FFEDMM Cc1ccc(-c2nc(S(=O)(=O)Cc3ccc(CC#N)cc3)n[n-]2)cc1 ZINC000559984701 517518381 /nfs/dbraw/zinc/51/83/81/517518381.db2.gz OKLYEUNTPXYCSL-UHFFFAOYSA-N -1 1 352.419 2.820 20 30 FFEDMM O=S(=O)([N-]CCC(F)(F)F)c1c(F)cccc1OC(F)(F)F ZINC000520861263 517537004 /nfs/dbraw/zinc/53/70/04/517537004.db2.gz DMKXTGVOVLWDKK-UHFFFAOYSA-N -1 1 355.231 2.955 20 30 FFEDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(COC)c(C#N)c2)cc1 ZINC000530144608 517588484 /nfs/dbraw/zinc/58/84/84/517588484.db2.gz IERAAPZUBMDFCG-UHFFFAOYSA-N -1 1 360.435 2.694 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(C(F)(F)F)cc2)o1 ZINC000553799254 517912986 /nfs/dbraw/zinc/91/29/86/517912986.db2.gz MVEHPFQDFGUIBP-UHFFFAOYSA-N -1 1 360.313 2.527 20 30 FFEDMM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553861771 517938650 /nfs/dbraw/zinc/93/86/50/517938650.db2.gz UTCIWVIMXVKJLX-MEBBXXQBSA-N -1 1 354.815 2.859 20 30 FFEDMM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)n(-c2ccccc2)n1 ZINC000553868690 517943639 /nfs/dbraw/zinc/94/36/39/517943639.db2.gz AXVGIMZFXIEMDV-AWEZNQCLSA-N -1 1 370.434 2.555 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCC#N)c2)cc1 ZINC000543309378 518016790 /nfs/dbraw/zinc/01/67/90/518016790.db2.gz WMPTVDVQAXKYAV-UHFFFAOYSA-N -1 1 357.435 2.829 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000564550103 518498208 /nfs/dbraw/zinc/49/82/08/518498208.db2.gz JJMLWSLNONZTLG-UHFFFAOYSA-N -1 1 361.276 2.634 20 30 FFEDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1F ZINC000582034973 518554346 /nfs/dbraw/zinc/55/43/46/518554346.db2.gz BAOZBHGRRJCSIC-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM C=CCCOCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000588139620 518733875 /nfs/dbraw/zinc/73/38/75/518733875.db2.gz BMLJYMKWRZVDNI-UHFFFAOYSA-N -1 1 374.462 2.696 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc2ccccc2c1 ZINC000576909707 518822051 /nfs/dbraw/zinc/82/20/51/518822051.db2.gz XPYKJDIJYLAIFV-KRWDZBQOSA-N -1 1 372.446 2.667 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccnc(N3CCCCCC3)c2)c1 ZINC000589183031 518944066 /nfs/dbraw/zinc/94/40/66/518944066.db2.gz FQPFKTAVITXQCU-UHFFFAOYSA-N -1 1 350.422 2.969 20 30 FFEDMM COCCCOc1cc(C)ccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189338 518945444 /nfs/dbraw/zinc/94/54/44/518945444.db2.gz QUXBMXUAUMLSEG-UHFFFAOYSA-N -1 1 354.406 2.918 20 30 FFEDMM CN1C(=O)C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000589196759 518948148 /nfs/dbraw/zinc/94/81/48/518948148.db2.gz GABYUOIUJICURG-WMZOPIPTSA-N -1 1 369.808 2.619 20 30 FFEDMM N#CCCCCCC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000589846456 519091750 /nfs/dbraw/zinc/09/17/50/519091750.db2.gz TYZZCSBNELJOTJ-CQSZACIVSA-N -1 1 350.785 2.672 20 30 FFEDMM Cc1ccc(C(=O)N2CC(C#N)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000590487730 519246080 /nfs/dbraw/zinc/24/60/80/519246080.db2.gz CLTHISUZQZRACH-UHFFFAOYSA-N -1 1 373.409 2.531 20 30 FFEDMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc(F)c(C#N)c2)n[n-]1 ZINC000590537576 519259553 /nfs/dbraw/zinc/25/95/53/519259553.db2.gz OHKSQLGMPPGXKH-CQSZACIVSA-N -1 1 373.388 2.509 20 30 FFEDMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc(F)c(C#N)c2)[n-]1 ZINC000590537576 519259558 /nfs/dbraw/zinc/25/95/58/519259558.db2.gz OHKSQLGMPPGXKH-CQSZACIVSA-N -1 1 373.388 2.509 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc(F)c(C#N)c2)n1 ZINC000590537576 519259566 /nfs/dbraw/zinc/25/95/66/519259566.db2.gz OHKSQLGMPPGXKH-CQSZACIVSA-N -1 1 373.388 2.509 20 30 FFEDMM N#CC1(CC(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)CC1 ZINC000590664768 519308030 /nfs/dbraw/zinc/30/80/30/519308030.db2.gz XWWSBHWWAJJAND-UHFFFAOYSA-N -1 1 351.229 2.955 20 30 FFEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(C)nc3)nc(=O)c2c1C ZINC000616177133 519933797 /nfs/dbraw/zinc/93/37/97/519933797.db2.gz ZMRRAHVTWRZYPJ-GFCCVEGCSA-N -1 1 353.407 2.963 20 30 FFEDMM C[C@@]1(C#N)CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000612835168 520174585 /nfs/dbraw/zinc/17/45/85/520174585.db2.gz LGAWRWRJIBVBEH-AWEZNQCLSA-N -1 1 370.190 2.763 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1Br ZINC000592107860 520188449 /nfs/dbraw/zinc/18/84/49/520188449.db2.gz IOYRIEDVEOUGNV-FXPVBKGRSA-N -1 1 373.247 2.927 20 30 FFEDMM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000595353654 520422885 /nfs/dbraw/zinc/42/28/85/520422885.db2.gz KNAQWSFWBSSARY-HZPDHXFCSA-N -1 1 350.465 2.656 20 30 FFEDMM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000613304277 520437578 /nfs/dbraw/zinc/43/75/78/520437578.db2.gz FWFJLRRRHVFTKT-ZDUSSCGKSA-N -1 1 355.232 2.873 20 30 FFEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000613304276 520438453 /nfs/dbraw/zinc/43/84/53/520438453.db2.gz FWFJLRRRHVFTKT-CYBMUJFWSA-N -1 1 355.232 2.873 20 30 FFEDMM CC[C@@]([N-]S(=O)(=O)c1ccccc1CC#N)(C(=O)OC)c1ccccc1 ZINC000601340224 520747457 /nfs/dbraw/zinc/74/74/57/520747457.db2.gz NBGJSLIDOKHBEI-IBGZPJMESA-N -1 1 372.446 2.509 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c1 ZINC000614079498 520789620 /nfs/dbraw/zinc/78/96/20/520789620.db2.gz HXXPGNQOGKEFEL-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM N#CCC1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000598769716 520837088 /nfs/dbraw/zinc/83/70/88/520837088.db2.gz QVHCFUXSXFSQGT-SFHVURJKSA-N -1 1 363.417 2.522 20 30 FFEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)C2)nc1 ZINC000601589385 520854054 /nfs/dbraw/zinc/85/40/54/520854054.db2.gz DWRKHFJTDJTZDV-CQSZACIVSA-N -1 1 357.797 2.535 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c1 ZINC000614368289 520927901 /nfs/dbraw/zinc/92/79/01/520927901.db2.gz JQDKBLVIHAIZQQ-UHFFFAOYSA-N -1 1 358.357 2.585 20 30 FFEDMM CC(C)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1nccs1 ZINC000614373977 520930052 /nfs/dbraw/zinc/93/00/52/520930052.db2.gz MUUHXMLFGRXWMO-AWEZNQCLSA-N -1 1 358.423 2.504 20 30 FFEDMM C=CCC1(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCCC1 ZINC000619115117 521404290 /nfs/dbraw/zinc/40/42/90/521404290.db2.gz VUOAAJXWTUCGLR-UHFFFAOYSA-N -1 1 354.472 2.975 20 30 FFEDMM COc1cccc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2nccn2C)c1 ZINC000615442821 521405529 /nfs/dbraw/zinc/40/55/29/521405529.db2.gz RCHULSRFSASAHA-SFHVURJKSA-N -1 1 362.389 2.525 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)cc1[O-] ZINC000594362051 521575767 /nfs/dbraw/zinc/57/57/67/521575767.db2.gz LRJUBNRZRPCVPW-UHFFFAOYSA-N -1 1 357.797 2.996 20 30 FFEDMM CCN(CC#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736511799 598395334 /nfs/dbraw/zinc/39/53/34/598395334.db2.gz KVFCXRUUBYTSJO-UHFFFAOYSA-N -1 1 366.356 2.784 20 30 FFEDMM CCN(CC#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736511799 598395335 /nfs/dbraw/zinc/39/53/35/598395335.db2.gz KVFCXRUUBYTSJO-UHFFFAOYSA-N -1 1 366.356 2.784 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(Cl)cccc2OC(F)F)o1 ZINC000737466891 598789100 /nfs/dbraw/zinc/78/91/00/598789100.db2.gz GEVIJHCARSFHPX-UHFFFAOYSA-N -1 1 369.719 2.864 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc3c(c2)COC3)o1 ZINC000819783390 599336282 /nfs/dbraw/zinc/33/62/82/599336282.db2.gz WFQUXQRWULZIKP-UHFFFAOYSA-N -1 1 353.386 2.844 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2[C@H]3CCCO[C@@H]3C2(C)C)o1 ZINC000819966087 599336450 /nfs/dbraw/zinc/33/64/50/599336450.db2.gz WBSACKKSUCKVIU-SKDRFNHKSA-N -1 1 359.434 2.755 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc3c(c2)COC3)o1 ZINC000819783379 599336682 /nfs/dbraw/zinc/33/66/82/599336682.db2.gz WESPKAGJUKXQCJ-UHFFFAOYSA-N -1 1 367.413 2.920 20 30 FFEDMM N#CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000739091151 600232753 /nfs/dbraw/zinc/23/27/53/600232753.db2.gz GECJIHBNWXQZRG-UHFFFAOYSA-N -1 1 352.318 2.530 20 30 FFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736215121 600304083 /nfs/dbraw/zinc/30/40/83/600304083.db2.gz JALNGYZBKKLBQV-BXUZGUMPSA-N -1 1 361.829 2.725 20 30 FFEDMM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000109411024 601832107 /nfs/dbraw/zinc/83/21/07/601832107.db2.gz ULPXKOKNFRJKDF-UHFFFAOYSA-N -1 1 353.758 2.959 20 30 FFEDMM CN(Cc1cc(Br)cn1C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830806309 602248191 /nfs/dbraw/zinc/24/81/91/602248191.db2.gz KZWWNAWKZUTJMA-HNNXBMFYSA-N -1 1 362.227 2.917 20 30 FFEDMM C=CCC[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000833372978 605055943 /nfs/dbraw/zinc/05/59/43/605055943.db2.gz CAZPEYFKHOQQRS-FUHWJXTLSA-N -1 1 359.470 2.884 20 30 FFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833366215 605186981 /nfs/dbraw/zinc/18/69/81/605186981.db2.gz MBBOXTRHYGBVLM-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM Cc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)cc1C ZINC000822254390 606368958 /nfs/dbraw/zinc/36/89/58/606368958.db2.gz INULFQDTYXTJIE-UHFFFAOYSA-N -1 1 357.468 2.866 20 30 FFEDMM C=C[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819729119 606800257 /nfs/dbraw/zinc/80/02/57/606800257.db2.gz COYQKOCLOWCDHM-NSHDSACASA-N -1 1 354.439 2.969 20 30 FFEDMM CCc1noc(C)c1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000821554759 607251858 /nfs/dbraw/zinc/25/18/58/607251858.db2.gz RAIYXRRTDHEXKN-UHFFFAOYSA-N -1 1 358.406 2.748 20 30 FFEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccoc1C ZINC000823937075 607895159 /nfs/dbraw/zinc/89/51/59/607895159.db2.gz HCQCEUXHHVYIGC-UHFFFAOYSA-N -1 1 366.410 2.759 20 30 FFEDMM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccoc1C ZINC000823937075 607895160 /nfs/dbraw/zinc/89/51/60/607895160.db2.gz HCQCEUXHHVYIGC-UHFFFAOYSA-N -1 1 366.410 2.759 20 30 FFEDMM Cc1cc(C)n(N=Cc2c(Cl)oc3ccccc23)c(=O)c1-c1nn[n-]n1 ZINC000826265398 608054415 /nfs/dbraw/zinc/05/44/15/608054415.db2.gz XMBIVYMRTZBLBG-UHFFFAOYSA-N -1 1 368.784 2.927 20 30 FFEDMM COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826181343 608092737 /nfs/dbraw/zinc/09/27/37/608092737.db2.gz VQUGCRRWXFLUAM-PLNGDYQASA-N -1 1 372.406 2.850 20 30 FFEDMM COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826181343 608092738 /nfs/dbraw/zinc/09/27/38/608092738.db2.gz VQUGCRRWXFLUAM-PLNGDYQASA-N -1 1 372.406 2.850 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cccc1N1CCOC1=O ZINC000743267745 735287139 /nfs/dbraw/zinc/28/71/39/735287139.db2.gz JOAHSYQADWUTKP-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM CCC(Nc1cccc(C#N)c1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009953029 727803618 /nfs/dbraw/zinc/80/36/18/727803618.db2.gz UJJGNLHJPWIKBZ-PFONDFGASA-N -1 1 356.451 2.534 20 30 FFEDMM C[C@H]1C[C@H]1c1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000746491429 735487740 /nfs/dbraw/zinc/48/77/40/735487740.db2.gz DAECZTPHSMWIFJ-XHDPSFHLSA-N -1 1 363.395 2.765 20 30 FFEDMM C#C[C@H](Cc1ccccc1)OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000120591877 728613160 /nfs/dbraw/zinc/61/31/60/728613160.db2.gz CUBDIESGGWWVBZ-OAHLLOKOSA-N -1 1 356.447 2.521 20 30 FFEDMM N#C[C@H](C(=O)[C@@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000121890861 728641419 /nfs/dbraw/zinc/64/14/19/728641419.db2.gz SECKXTDFSYHDPL-NEPJUHHUSA-N -1 1 357.435 2.609 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000185321385 729346629 /nfs/dbraw/zinc/34/66/29/729346629.db2.gz LTSIXKOWXKRUDR-HNNXBMFYSA-N -1 1 356.447 2.856 20 30 FFEDMM CCCCCCCS(=O)(=O)[N-]c1cccc(CN2CCOCC2)n1 ZINC000194801546 729520845 /nfs/dbraw/zinc/52/08/45/729520845.db2.gz IMDVOACPHHNFBF-UHFFFAOYSA-N -1 1 355.504 2.626 20 30 FFEDMM C=CCn1c(-c2sc(NC(=O)C[C@H](C)OC)nc2C)n[n-]c1=S ZINC000195491033 729539821 /nfs/dbraw/zinc/53/98/21/729539821.db2.gz QXQXBTIQIFDXBR-QMMMGPOBSA-N -1 1 353.473 2.922 20 30 FFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000233357597 729552593 /nfs/dbraw/zinc/55/25/93/729552593.db2.gz ATKNZKJPSJPWQA-SECBINFHSA-N -1 1 351.653 2.578 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCC#N)c2)c1 ZINC000507971944 729927166 /nfs/dbraw/zinc/92/71/66/729927166.db2.gz UHSYBSZOHXRCHL-UHFFFAOYSA-N -1 1 357.435 2.748 20 30 FFEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000859423639 730454247 /nfs/dbraw/zinc/45/42/47/730454247.db2.gz HPJPKXQMKVLFDR-JTQLQIEISA-N -1 1 354.230 2.839 20 30 FFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cn(C2CC2)nn1 ZINC000860472721 730515295 /nfs/dbraw/zinc/51/52/95/730515295.db2.gz DOUYUZAZLNSGIA-JTQLQIEISA-N -1 1 364.192 2.881 20 30 FFEDMM CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000863135514 730752714 /nfs/dbraw/zinc/75/27/14/730752714.db2.gz YQSYQDOGMXIRDH-SECBINFHSA-N -1 1 351.255 2.590 20 30 FFEDMM CC[C@H]1CCN(c2nc([O-])c(CC(=O)Nc3ccc(C#N)cc3)s2)C1 ZINC000864344959 730840386 /nfs/dbraw/zinc/84/03/86/730840386.db2.gz LANIZUSRTXELGK-SWLSCSKDSA-N -1 1 356.451 2.617 20 30 FFEDMM C=C(C)[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccc(F)c(F)c1 ZINC000867122029 731146433 /nfs/dbraw/zinc/14/64/33/731146433.db2.gz JWCRUMBGWULYCN-AWEZNQCLSA-N -1 1 364.439 2.678 20 30 FFEDMM Cc1cc(Br)c([O-])c(C=NNC(=S)NCC(F)(F)F)c1 ZINC000781587786 738638928 /nfs/dbraw/zinc/63/89/28/738638928.db2.gz IIMCYJLGILVVDH-UHFFFAOYSA-N -1 1 370.194 2.823 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCCC(C)(C)C#N)o1 ZINC000782792178 738755425 /nfs/dbraw/zinc/75/54/25/738755425.db2.gz FTBKICYOYYPPOP-UHFFFAOYSA-N -1 1 356.444 2.843 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(N)cc1Cl ZINC000782905693 738762945 /nfs/dbraw/zinc/76/29/45/738762945.db2.gz CFENVOGGIATDKQ-UHFFFAOYSA-N -1 1 368.802 2.533 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)Nc2ccc(OC)cc2)c1 ZINC000726736706 734442210 /nfs/dbraw/zinc/44/22/10/734442210.db2.gz QVFSMFCPZCOSRO-UHFFFAOYSA-N -1 1 359.407 2.508 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC)cc2)cc1 ZINC000730996464 734661504 /nfs/dbraw/zinc/66/15/04/734661504.db2.gz RMLMEFBMKTZBEO-UHFFFAOYSA-N -1 1 359.403 2.676 20 30 FFEDMM CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)c(Cl)c1 ZINC000731155023 734668593 /nfs/dbraw/zinc/66/85/93/734668593.db2.gz NXIGOEPKPATDBX-UHFFFAOYSA-N -1 1 351.197 2.965 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)cc1 ZINC000731178188 734669558 /nfs/dbraw/zinc/66/95/58/734669558.db2.gz PYFRCDXQQKAQJZ-UHFFFAOYSA-N -1 1 359.403 2.594 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2scnc2C)cc1 ZINC000735911099 734966126 /nfs/dbraw/zinc/96/61/26/734966126.db2.gz JAGOPAIFBOZTOI-ZDUSSCGKSA-N -1 1 357.391 2.589 20 30 FFEDMM COc1cc(C)ccc1C(C)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748255570 735631225 /nfs/dbraw/zinc/63/12/25/735631225.db2.gz ZBSFPHFTDNYCPB-UHFFFAOYSA-N -1 1 363.395 2.614 20 30 FFEDMM CC(C)C1N=NC(=S)N1N=Cc1cc(O)c([O-])c(Br)c1 ZINC000757559371 736410081 /nfs/dbraw/zinc/41/00/81/736410081.db2.gz BWZONSDLBVDZAF-UHFFFAOYSA-N -1 1 357.233 2.746 20 30 FFEDMM COc1cc(C)c(NS(=O)(=O)c2cccc(F)c2C#N)c(C(=O)[O-])c1 ZINC000758945346 736534950 /nfs/dbraw/zinc/53/49/50/736534950.db2.gz MYYHDJPEHHXJEE-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)s1 ZINC000759204805 736554714 /nfs/dbraw/zinc/55/47/14/736554714.db2.gz DZOGIECONNYWTL-CYBMUJFWSA-N -1 1 359.407 2.568 20 30 FFEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3nc(Cl)ccc3F)n2)cc1 ZINC000759279498 736559548 /nfs/dbraw/zinc/55/95/48/736559548.db2.gz WRIIWVZLQPPQSK-UHFFFAOYSA-N -1 1 356.748 2.638 20 30 FFEDMM CCc1cc(=O)[n-]c(SCCCC(=O)ONC(=N)c2cccs2)n1 ZINC000767063513 737288525 /nfs/dbraw/zinc/28/85/25/737288525.db2.gz OMVRDGACHJZOIR-UHFFFAOYSA-N -1 1 366.468 2.542 20 30 FFEDMM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccccc1Br ZINC000767477671 737329561 /nfs/dbraw/zinc/32/95/61/737329561.db2.gz PERIYBMIEYVYDZ-LLVKDONJSA-N -1 1 359.170 2.680 20 30 FFEDMM O=C1Nc2c(cc(F)cc2Br)C1=N[N-]c1cncc(Cl)n1 ZINC000914559971 737583455 /nfs/dbraw/zinc/58/34/55/737583455.db2.gz LSWDXAGBVQRDQD-UHFFFAOYSA-N -1 1 370.569 2.800 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCSc3ccc(F)cc32)c2ccccc21 ZINC000914600469 737585958 /nfs/dbraw/zinc/58/59/58/737585958.db2.gz VNXBJOLNLBBALM-UHFFFAOYSA-N -1 1 361.423 2.764 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(OC(C)C)cc1 ZINC000914599818 737585989 /nfs/dbraw/zinc/58/59/89/737585989.db2.gz KZFMMVOCLUYRAL-UHFFFAOYSA-N -1 1 357.435 2.937 20 30 FFEDMM CCCCCCCCN1C(=O)C(=CNc2cccnc2)C(=O)[N-]C1=S ZINC000920979824 737937756 /nfs/dbraw/zinc/93/77/56/737937756.db2.gz YCHZQPAUCSMJEM-FYWRMAATSA-N -1 1 360.483 2.981 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1cccc2ccccc21 ZINC000921386129 737973960 /nfs/dbraw/zinc/97/39/60/737973960.db2.gz JDRNAPDTYHHYJQ-INIZCTEOSA-N -1 1 360.435 2.523 20 30 FFEDMM N#Cc1ccc(-n2ccc(NC([O-])=NO[C@H]3CCCCO3)n2)c(Cl)c1 ZINC000775721808 738117414 /nfs/dbraw/zinc/11/74/14/738117414.db2.gz JJBDTNTUUNPPSS-HNNXBMFYSA-N -1 1 361.789 2.977 20 30 FFEDMM N#Cc1ccc(-n2ccc(NC(=O)[N-]O[C@H]3CCCCO3)n2)c(Cl)c1 ZINC000775721808 738117415 /nfs/dbraw/zinc/11/74/15/738117415.db2.gz JJBDTNTUUNPPSS-HNNXBMFYSA-N -1 1 361.789 2.977 20 30 FFEDMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccccc1 ZINC000790041095 739410612 /nfs/dbraw/zinc/41/06/12/739410612.db2.gz FRZIEUVBYNQRMS-AWEZNQCLSA-N -1 1 352.456 2.539 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1F ZINC000793392648 739776610 /nfs/dbraw/zinc/77/66/10/739776610.db2.gz RAFQHYFGWVZFTM-UHFFFAOYSA-N -1 1 360.345 2.823 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(C)C ZINC000795974238 740086639 /nfs/dbraw/zinc/08/66/39/740086639.db2.gz CQUFGXYAKULSNR-LBPRGKRZSA-N -1 1 364.250 2.716 20 30 FFEDMM CCCC1N=NC(=S)N1N=Cc1cc(O)c([O-])c(Br)c1 ZINC000808009440 741177358 /nfs/dbraw/zinc/17/73/58/741177358.db2.gz GPJFORNXANWTKM-UHFFFAOYSA-N -1 1 357.233 2.575 20 30 FFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c(N)c1 ZINC000814798906 741866244 /nfs/dbraw/zinc/86/62/44/741866244.db2.gz QSANNUIVYQAYLP-UHFFFAOYSA-N -1 1 362.842 2.775 20 30 FFEDMM C=CCn1cc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])nn1 ZINC000818347599 742265527 /nfs/dbraw/zinc/26/55/27/742265527.db2.gz SLPWKTALAXLWFN-SECBINFHSA-N -1 1 355.211 2.922 20 30 FFEDMM C=CCC[C@@H](CO)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000837083160 746362165 /nfs/dbraw/zinc/36/21/65/746362165.db2.gz WLMIXUPERMCDFI-ZDUSSCGKSA-N -1 1 350.415 2.796 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CCOCC1 ZINC000851829778 749692462 /nfs/dbraw/zinc/69/24/62/749692462.db2.gz KSXYGCOZVGINMT-VIFPVBQESA-N -1 1 354.280 2.762 20 30 FFEDMM C=CCOC(=O)c1sc2[n-]c(COCC(F)(F)F)nc(=O)c2c1C ZINC000055502853 845330782 /nfs/dbraw/zinc/33/07/82/845330782.db2.gz TXRSMZCFGLYRQF-UHFFFAOYSA-N -1 1 362.329 2.715 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)ccc1Br ZINC000091416369 845608428 /nfs/dbraw/zinc/60/84/28/845608428.db2.gz YXMSTQKQQNLXFN-ZCFIWIBFSA-N -1 1 368.050 2.865 20 30 FFEDMM C=CCCCC(=O)NC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573335313 947474934 /nfs/dbraw/zinc/47/49/34/947474934.db2.gz XHHCPRGWUVJUKM-GFCCVEGCSA-N -1 1 363.491 2.541 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000891023831 961615585 /nfs/dbraw/zinc/61/55/85/961615585.db2.gz LUVQANHJUXMXDQ-HXUWFJFHSA-N -1 1 371.437 2.879 20 30 FFEDMM COc1ccc(Cn2cc(CC(=O)Nc3ccc(C#N)cc3[O-])cn2)cc1 ZINC001175209259 1013413806 /nfs/dbraw/zinc/41/38/06/1013413806.db2.gz VRBYRFGTBIXLHZ-UHFFFAOYSA-N -1 1 362.389 2.698 20 30 FFEDMM N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)cc2)cc1 ZINC001175552239 1013510154 /nfs/dbraw/zinc/51/01/54/1013510154.db2.gz CYFFYLGCIFYFCZ-MRXNPFEDSA-N -1 1 374.404 2.688 20 30 FFEDMM C=CCn1cc(Nc2[nH]c(=S)[n-]c(=O)c2CC(OCC)OCC)cn1 ZINC001176544346 1013716091 /nfs/dbraw/zinc/71/60/91/1013716091.db2.gz QCBXYKNWVKSVNF-UHFFFAOYSA-N -1 1 365.459 2.539 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)N(C)CCO3)n1 ZINC000892625298 969630744 /nfs/dbraw/zinc/63/07/44/969630744.db2.gz ZNLGAPRBDUSWNG-GFCCVEGCSA-N -1 1 371.418 2.638 20 30 FFEDMM N#CCCCN1CC[C@@]2(CCCN2C(=O)c2cc(Cl)ccc2[O-])C1=O ZINC001271436320 973017468 /nfs/dbraw/zinc/01/74/68/973017468.db2.gz BEJRMUVFXCQJCG-SFHVURJKSA-N -1 1 361.829 2.556 20 30 FFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000899267876 977063677 /nfs/dbraw/zinc/06/36/77/977063677.db2.gz RCDNWZMMHNYZGS-OAHLLOKOSA-N -1 1 359.426 2.735 20 30 FFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC001211719330 977428443 /nfs/dbraw/zinc/42/84/43/977428443.db2.gz HGYXLVFAPNULTN-VIFPVBQESA-N -1 1 364.236 2.677 20 30 FFEDMM COc1nc(C)c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c(C)c1C#N ZINC001167937102 978212106 /nfs/dbraw/zinc/21/21/06/978212106.db2.gz RDQFODAUSFYGAT-UHFFFAOYSA-N -1 1 373.349 2.663 20 30 FFEDMM C[C@@H](CN(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1)C(=O)[O-] ZINC001592592661 978519929 /nfs/dbraw/zinc/51/99/29/978519929.db2.gz NEUFISVTXOPSDL-HNNXBMFYSA-N -1 1 351.406 2.720 20 30 FFEDMM O=S1(=O)CCC(CNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)CC1 ZINC001168299037 982720070 /nfs/dbraw/zinc/72/00/70/982720070.db2.gz MNMKTCCVKIQEQM-DJKKODMXSA-N -1 1 350.362 2.750 20 30 FFEDMM C#CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CC1 ZINC000764449343 984499361 /nfs/dbraw/zinc/49/93/61/984499361.db2.gz MTVASECOCXBUQV-UHFFFAOYSA-N -1 1 372.421 2.864 20 30 FFEDMM C=C1CCC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)c3ncccc3[O-])C2)CC1 ZINC001007357932 1015191577 /nfs/dbraw/zinc/19/15/77/1015191577.db2.gz WPBCFIASJKFICX-KKSFZXQISA-N -1 1 369.465 2.645 20 30 FFEDMM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)n1 ZINC001212265316 991221566 /nfs/dbraw/zinc/22/15/66/991221566.db2.gz YNISQQHEIDORMD-SECBINFHSA-N -1 1 366.424 2.525 20 30 FFEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(OCC#N)c1 ZINC000139502364 992773643 /nfs/dbraw/zinc/77/36/43/992773643.db2.gz TXNKRGTVCJMQIP-UHFFFAOYSA-N -1 1 373.434 2.993 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])cc(C#N)c1 ZINC000809758003 994605806 /nfs/dbraw/zinc/60/58/06/994605806.db2.gz ZGUVRMMTYSUOSG-CVEARBPZSA-N -1 1 371.437 2.878 20 30 FFEDMM C#CC[C@@H]1CCCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000844002003 997598314 /nfs/dbraw/zinc/59/83/14/997598314.db2.gz RPPMZWKZJWUXPD-MRXNPFEDSA-N -1 1 364.449 2.747 20 30 FFEDMM C#CC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000844049630 997628329 /nfs/dbraw/zinc/62/83/29/997628329.db2.gz PKFZJPPDSOYEEJ-UHFFFAOYSA-N -1 1 368.458 2.973 20 30 FFEDMM C#CCN(CC#CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000742129774 999759714 /nfs/dbraw/zinc/75/97/14/999759714.db2.gz DZWNCIKTQIWLSS-UHFFFAOYSA-N -1 1 366.442 2.586 20 30 FFEDMM C[C@](CO)(NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC001148041749 1001029221 /nfs/dbraw/zinc/02/92/21/1001029221.db2.gz QEDXHLBGBRTVIW-QGZVFWFLSA-N -1 1 364.323 2.920 20 30 FFEDMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000785544020 1001451210 /nfs/dbraw/zinc/45/12/10/1001451210.db2.gz OJSVMBCKMDSNBW-OAHLLOKOSA-N -1 1 359.426 2.783 20 30 FFEDMM CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000785634191 1001464811 /nfs/dbraw/zinc/46/48/11/1001464811.db2.gz IZOIAQMKAUQUNT-UHFFFAOYSA-N -1 1 357.410 2.561 20 30 FFEDMM C#CCn1ccc(CN(CCOC)C(=O)c2cc3ccccc3cc2[O-])n1 ZINC000790108741 1002275784 /nfs/dbraw/zinc/27/57/84/1002275784.db2.gz DHDYUGASHANZSI-UHFFFAOYSA-N -1 1 363.417 2.664 20 30 FFEDMM Cc1nc(C(=O)N([O-])C(=N)c2ccccc2N)sc1Br ZINC001184902502 1002752441 /nfs/dbraw/zinc/75/24/41/1002752441.db2.gz XVJDREJEFYYZSL-UHFFFAOYSA-N -1 1 355.217 2.653 20 30 FFEDMM N#CC1(c2ccccc2)CCC(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)CC1 ZINC001170369122 1003128470 /nfs/dbraw/zinc/12/84/70/1003128470.db2.gz TUZVPNCUMNEGFY-UHFFFAOYSA-N -1 1 350.382 2.532 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnc(OCC2CC2)cn1 ZINC000793124981 1003278436 /nfs/dbraw/zinc/27/84/36/1003278436.db2.gz NQWXANRZIPASLN-LBPRGKRZSA-N -1 1 370.796 2.880 20 30 FFEDMM N#Cc1ccc(F)c([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC001186411535 1003305264 /nfs/dbraw/zinc/30/52/64/1003305264.db2.gz DRJRUSXGTVXARN-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM C=CCc1c(F)c(F)c(C(=O)NCCCC[P@@](=O)([O-])O)c(F)c1F ZINC001186737510 1003402066 /nfs/dbraw/zinc/40/20/66/1003402066.db2.gz MCJRESLOMROASJ-UHFFFAOYSA-N -1 1 369.251 2.659 20 30 FFEDMM CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000804677638 1003778077 /nfs/dbraw/zinc/77/80/77/1003778077.db2.gz PTDFZHXQMVTZQK-MRXNPFEDSA-N -1 1 359.426 2.737 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)ccc1O ZINC001191369897 1003801104 /nfs/dbraw/zinc/80/11/04/1003801104.db2.gz HJMJONFJPIAQLV-UHFFFAOYSA-N -1 1 371.187 2.966 20 30 FFEDMM N#Cc1cnc(NC(=O)c2cc([O-])cc(F)c2F)c(Br)c1 ZINC001192652144 1004220182 /nfs/dbraw/zinc/22/01/82/1004220182.db2.gz VHSNMJAKQGEBPT-UHFFFAOYSA-N -1 1 354.110 2.952 20 30 FFEDMM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001192762975 1004262407 /nfs/dbraw/zinc/26/24/07/1004262407.db2.gz ZTPJOAQUORKXRL-INIZCTEOSA-N -1 1 353.378 2.560 20 30 FFEDMM C=CC[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)C(=O)OC ZINC001197765384 1004337779 /nfs/dbraw/zinc/33/77/79/1004337779.db2.gz FZGKIJLSNOUNEM-NSHDSACASA-N -1 1 352.239 2.531 20 30 FFEDMM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)cc2c1OCCO2 ZINC000806561619 1004363198 /nfs/dbraw/zinc/36/31/98/1004363198.db2.gz WVVNGFQKRIITQV-GORDUTHDSA-N -1 1 356.330 2.766 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)n(-c2cccc(Br)c2)n1 ZINC001193112368 1004378116 /nfs/dbraw/zinc/37/81/16/1004378116.db2.gz RUAJWSQUMMVJRZ-SNVBAGLBSA-N -1 1 369.244 2.597 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1n[nH]c2ccc(Br)cc21 ZINC001198419747 1004612202 /nfs/dbraw/zinc/61/22/02/1004612202.db2.gz YQMKFCHJYDXTCB-UHFFFAOYSA-N -1 1 374.198 2.765 20 30 FFEDMM Cc1cc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)ncn1 ZINC001194048733 1004640288 /nfs/dbraw/zinc/64/02/88/1004640288.db2.gz ZMVUXWGNTVCJHZ-QGMBQPNBSA-N -1 1 366.406 2.572 20 30 FFEDMM N#C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 ZINC001194317326 1004702934 /nfs/dbraw/zinc/70/29/34/1004702934.db2.gz FDUUGFRVUOJWIP-LBPRGKRZSA-N -1 1 359.304 2.783 20 30 FFEDMM C=CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198783082 1004727364 /nfs/dbraw/zinc/72/73/64/1004727364.db2.gz UKNQVAFCJNHWNW-UHFFFAOYSA-N -1 1 361.375 2.528 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)C)c2)cc1C#N ZINC001201317310 1005198696 /nfs/dbraw/zinc/19/86/96/1005198696.db2.gz OYKMJVPVHHBGHO-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc(CO)on3)cc2)cc1C#N ZINC001201323686 1005199724 /nfs/dbraw/zinc/19/97/24/1005199724.db2.gz LPWWYMVUFTXWSH-UHFFFAOYSA-N -1 1 369.402 2.815 20 30 FFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CCCOc1ccccc1C#N ZINC001201766390 1005263704 /nfs/dbraw/zinc/26/37/04/1005263704.db2.gz DODZITUDTVZMKK-UHFFFAOYSA-N -1 1 371.871 2.724 20 30 FFEDMM CCOCCS(=O)(=O)[N-]c1ccccc1C#Cc1ccc(OC)cc1 ZINC001187292370 1006005423 /nfs/dbraw/zinc/00/54/23/1006005423.db2.gz UZGYBGJBELSDMT-UHFFFAOYSA-N -1 1 359.447 2.873 20 30 FFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189052241 1006871787 /nfs/dbraw/zinc/87/17/87/1006871787.db2.gz FLOXJRXDIAKPMU-GFCCVEGCSA-N -1 1 352.200 2.808 20 30 FFEDMM COCC#CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC001135519953 1006996339 /nfs/dbraw/zinc/99/63/39/1006996339.db2.gz UTQZCUFUZLRJNU-UHFFFAOYSA-N -1 1 372.446 2.693 20 30 FFEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190618794 1007705742 /nfs/dbraw/zinc/70/57/42/1007705742.db2.gz ZFQUFGJEZDOJQW-UHFFFAOYSA-N -1 1 362.393 2.925 20 30 FFEDMM C=CCC1(S(=O)(=O)[N-][C@H](c2nnc(C)o2)c2ccccc2OC)CC1 ZINC001190845122 1007805856 /nfs/dbraw/zinc/80/58/56/1007805856.db2.gz JMUASOMLHNFGSO-HNNXBMFYSA-N -1 1 363.439 2.504 20 30 FFEDMM COc1cc(C(=O)[N-]c2c(C#N)oc3ccccc32)c(OC)nc1OC ZINC001191290187 1007956732 /nfs/dbraw/zinc/95/67/32/1007956732.db2.gz CQWCDYGBWARMSZ-UHFFFAOYSA-N -1 1 353.334 2.978 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@@]2(F)C[C@@H]2C(=O)OCc2ccccc2)c([O-])c1 ZINC001178861456 1009174667 /nfs/dbraw/zinc/17/46/67/1009174667.db2.gz BUGMRGAQVGKDBS-AUUYWEPGSA-N -1 1 354.337 2.674 20 30 FFEDMM CC[NH+](CC)CC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001180385692 1009657358 /nfs/dbraw/zinc/65/73/58/1009657358.db2.gz WNJKFRCEOAMLSR-VCHYOVAHSA-N -1 1 359.455 2.502 20 30 FFEDMM C#CC[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000862556978 1009880609 /nfs/dbraw/zinc/88/06/09/1009880609.db2.gz ZVFAHAZUDDPRTI-INIZCTEOSA-N -1 1 368.458 2.973 20 30 FFEDMM CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001181246468 1010021906 /nfs/dbraw/zinc/02/19/06/1010021906.db2.gz KIQXGQFJXHSNEJ-WWGRRREGSA-N -1 1 357.410 2.990 20 30 FFEDMM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)c(F)c1 ZINC000773973538 1010377885 /nfs/dbraw/zinc/37/78/85/1010377885.db2.gz AIGUZWYVADADDJ-HNNXBMFYSA-N -1 1 370.336 2.582 20 30 FFEDMM N#Cc1ccc(CC(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000870159845 1012225333 /nfs/dbraw/zinc/22/53/33/1012225333.db2.gz GSOFXUARYABLDV-UHFFFAOYSA-N -1 1 369.852 2.804 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)c1 ZINC000901840038 1019509583 /nfs/dbraw/zinc/50/95/83/1019509583.db2.gz YJFYWDPVBMVGBF-UHFFFAOYSA-N -1 1 366.442 2.768 20 30 FFEDMM N#Cc1cncc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC000930755576 1020162958 /nfs/dbraw/zinc/16/29/58/1020162958.db2.gz OQBYDEFKXGNKDH-HNNXBMFYSA-N -1 1 360.339 2.563 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(-c2ccccc2)o1 ZINC001116543941 1021275394 /nfs/dbraw/zinc/27/53/94/1021275394.db2.gz HNTUXHZPEQYXAT-UHFFFAOYSA-N -1 1 352.371 2.826 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CCCC(=O)N3)c2)cc1 ZINC001119438772 1022766218 /nfs/dbraw/zinc/76/62/18/1022766218.db2.gz OIODQFOWXNJTEE-GOSISDBHSA-N -1 1 369.446 2.895 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)c1 ZINC000753011430 1023250789 /nfs/dbraw/zinc/25/07/89/1023250789.db2.gz YTEYGQDRGYLCPD-QGZVFWFLSA-N -1 1 371.437 2.927 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001122490783 1023301519 /nfs/dbraw/zinc/30/15/19/1023301519.db2.gz UOQWMPOOOKNYNH-VIFPVBQESA-N -1 1 357.796 2.917 20 30 FFEDMM COC(=O)c1cc(C([O-])=C(C#N)c2cccc(F)n2)n(-c2ccccc2)n1 ZINC001122631130 1023379635 /nfs/dbraw/zinc/37/96/35/1023379635.db2.gz AVXGHNYMTLCQEZ-ZDUSSCGKSA-N -1 1 364.336 2.683 20 30 FFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)c(OC[C@H]2C[C@H](O)C2)c1 ZINC001218428110 1033151524 /nfs/dbraw/zinc/15/15/24/1033151524.db2.gz PIEZTIHLZGPZQE-NNKYXXRHSA-N -1 1 354.358 2.864 20 30 FFEDMM COCCOc1cc2c(cc1/C=C\C(=O)c1cc(O)ccc1[O-])OCO2 ZINC000757468711 1023822817 /nfs/dbraw/zinc/82/28/17/1023822817.db2.gz VSTCGAGOFPVJFL-RQOWECAXSA-N -1 1 358.346 2.748 20 30 FFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000829640036 1033259256 /nfs/dbraw/zinc/25/92/56/1033259256.db2.gz LDLRXRJHFMRWLC-MRXNPFEDSA-N -1 1 359.426 2.639 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)[C@@H]2C1 ZINC000837130803 1025599972 /nfs/dbraw/zinc/59/99/72/1025599972.db2.gz LMFXCYKBKNEOIR-JKSUJKDBSA-N -1 1 371.437 2.735 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC2(C(=O)OCc3ccccc3)CCC2)c1 ZINC000838151894 1026229799 /nfs/dbraw/zinc/22/97/99/1026229799.db2.gz ZDGMRIPKBLNZSE-UHFFFAOYSA-N -1 1 350.374 2.660 20 30 FFEDMM CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC(=O)CC ZINC000840715218 1027228029 /nfs/dbraw/zinc/22/80/29/1027228029.db2.gz NGQLKYKKKDZNIO-ZLQZBKBYSA-N -1 1 372.373 2.629 20 30 FFEDMM C=C[C@H]1C[C@]1(Nc1nc(SC)nc(Cl)c1/C=N/[O-])C(=O)OCC ZINC001159799884 1027503121 /nfs/dbraw/zinc/50/31/21/1027503121.db2.gz VXSKJYZNZCYATB-HDLZTDIFSA-N -1 1 356.835 2.580 20 30 FFEDMM COc1ccc(CNc2nc(SC)nc(Cl)c2/C=N/[O-])c(OC)n1 ZINC001160802643 1027884798 /nfs/dbraw/zinc/88/47/98/1027884798.db2.gz KJOIAGLSZQUPCW-REZTVBANSA-N -1 1 369.834 2.684 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N[C@H]3COc4ccc(Cl)cc43)cc(=O)c2c1 ZINC001154561142 1028357756 /nfs/dbraw/zinc/35/77/56/1028357756.db2.gz VNKSFEVYVPNHHF-INIZCTEOSA-N -1 1 365.776 2.917 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1nc(Br)n2ccccc12 ZINC001156795656 1029349310 /nfs/dbraw/zinc/34/93/10/1029349310.db2.gz GTODDLUSYYQOII-UHFFFAOYSA-N -1 1 374.198 2.536 20 30 FFEDMM Cc1cc(COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)ccc1C#N ZINC000783468343 1030112615 /nfs/dbraw/zinc/11/26/15/1030112615.db2.gz BNNWZVUNLNKKIS-UHFFFAOYSA-N -1 1 350.378 2.518 20 30 FFEDMM C=CC(=O)OC[C@@H](COC(=O)C(=C)C)O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223595770 1033513776 /nfs/dbraw/zinc/51/37/76/1033513776.db2.gz HGJFHTZQUBGPQW-DNQHLSNTSA-N -1 1 367.785 2.710 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc([O-])cc(C#N)c1 ZINC000830572595 1033687961 /nfs/dbraw/zinc/68/79/61/1033687961.db2.gz ZVOHFYZEAUNQPJ-IRXDYDNUSA-N -1 1 371.437 2.878 20 30 FFEDMM C#CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)c([O-])c(Cl)c1)CC2 ZINC001276991924 1033981566 /nfs/dbraw/zinc/98/15/66/1033981566.db2.gz HEPCSXLPBBBVCU-CYBMUJFWSA-N -1 1 350.821 2.536 20 30 FFEDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)C#C[Si](C)(C)C ZINC001226311544 1034624904 /nfs/dbraw/zinc/62/49/04/1034624904.db2.gz YARSASOBNXRWLG-JTQLQIEISA-N -1 1 352.419 2.520 20 30 FFEDMM N#C[C@H](Oc1[n-]c(=O)ncc1I)c1cccc(F)c1 ZINC001226775550 1034832153 /nfs/dbraw/zinc/83/21/53/1034832153.db2.gz WAXPVORLFZAUOG-JTQLQIEISA-N -1 1 371.109 2.570 20 30 FFEDMM C=C(C)CN1C[C@@]2(CC1=O)COCCN(Cc1ccc(Cl)c([O-])c1)C2 ZINC001277160639 1034865012 /nfs/dbraw/zinc/86/50/12/1034865012.db2.gz HMKSPFYRTKFFIA-IBGZPJMESA-N -1 1 364.873 2.673 20 30 FFEDMM N#Cc1c([O-])ccc(OC[C@H]2CN(c3cccc(F)c3)C(=O)O2)c1C#N ZINC001227619470 1035642218 /nfs/dbraw/zinc/64/22/18/1035642218.db2.gz RPLSUMBKOYYOSV-CYBMUJFWSA-N -1 1 353.309 2.679 20 30 FFEDMM CC[C@H](C#CC(=O)OC)Oc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001228174973 1035974531 /nfs/dbraw/zinc/97/45/31/1035974531.db2.gz XMNLUCWALYYIAC-OAHLLOKOSA-N -1 1 374.414 2.559 20 30 FFEDMM COc1cc([O-])cc(O[C@H]2CCOC2=O)c1C(=O)/C=C/c1ccccc1 ZINC001229528045 1036722637 /nfs/dbraw/zinc/72/26/37/1036722637.db2.gz UVJODHFOOODLKU-WAVCKPEOSA-N -1 1 354.358 2.991 20 30 FFEDMM COc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2COC(=O)C2)c1 ZINC001229687063 1036830827 /nfs/dbraw/zinc/83/08/27/1036830827.db2.gz GYMUWDJWZWQOQW-XCVZWFEFSA-N -1 1 370.357 2.697 20 30 FFEDMM COc1cc([O-])cc(OC2COCOC2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234775268 1037176992 /nfs/dbraw/zinc/17/69/92/1037176992.db2.gz UFQADEJDWBALOZ-QPJJXVBHSA-N -1 1 372.373 2.754 20 30 FFEDMM CC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC001258126406 1039202853 /nfs/dbraw/zinc/20/28/53/1039202853.db2.gz KKWWSWSLSZBYRH-UHFFFAOYSA-N -1 1 355.419 2.658 20 30 FFEDMM CC1(C)COC(c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)=N1 ZINC001258135662 1039213002 /nfs/dbraw/zinc/21/30/02/1039213002.db2.gz CYKLNWZBVWIBSL-UHFFFAOYSA-N -1 1 355.419 2.914 20 30 FFEDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(C#N)c(F)c1F)C(=O)C2 ZINC001258973168 1039630725 /nfs/dbraw/zinc/63/07/25/1039630725.db2.gz XVAFOGZJWLPPTQ-GTNSWQLSSA-N -1 1 368.405 2.974 20 30 FFEDMM C[C@H]1Cc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2N(C)C1=O ZINC001259126282 1039731231 /nfs/dbraw/zinc/73/12/31/1039731231.db2.gz VVHDZNWAKRNDPR-LBPRGKRZSA-N -1 1 355.419 2.514 20 30 FFEDMM CC1(C)COC(c2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)=N1 ZINC001259125730 1039732165 /nfs/dbraw/zinc/73/21/65/1039732165.db2.gz OYAMKDBUVNPAFG-UHFFFAOYSA-N -1 1 355.419 2.914 20 30 FFEDMM CCOC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259124988 1039732438 /nfs/dbraw/zinc/73/24/38/1039732438.db2.gz FIFGNICXVBUDST-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM N#Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC001259344775 1039926591 /nfs/dbraw/zinc/92/65/91/1039926591.db2.gz RXKJVVPRNGFGST-UHFFFAOYSA-N -1 1 373.415 2.740 20 30 FFEDMM N#Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2s1 ZINC001259356056 1039935331 /nfs/dbraw/zinc/93/53/31/1039935331.db2.gz NUIPMAOVINDQDN-UHFFFAOYSA-N -1 1 357.416 2.904 20 30 FFEDMM N#Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc2s1 ZINC001259417147 1039986190 /nfs/dbraw/zinc/98/61/90/1039986190.db2.gz AUZAFHOWTKUMMK-UHFFFAOYSA-N -1 1 358.379 2.980 20 30 FFEDMM Cc1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc2)n1 ZINC001259418774 1039988384 /nfs/dbraw/zinc/98/83/84/1039988384.db2.gz QPKRMSBYJSCEEF-UHFFFAOYSA-N -1 1 358.354 2.857 20 30 FFEDMM C[C@](C#N)([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1Cl ZINC001259852452 1040245195 /nfs/dbraw/zinc/24/51/95/1040245195.db2.gz UZBBPZVPTYFEKL-MRXNPFEDSA-N -1 1 364.810 2.786 20 30 FFEDMM N#Cc1ccc(C2([N-]S(=O)(=O)c3c(F)cc(F)cc3F)CC2)cc1 ZINC001260356172 1040554677 /nfs/dbraw/zinc/55/46/77/1040554677.db2.gz KHAKXUMFMRAYNQ-UHFFFAOYSA-N -1 1 352.337 2.943 20 30 FFEDMM C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001260605054 1040669623 /nfs/dbraw/zinc/66/96/23/1040669623.db2.gz FLLDANBIBDBROU-GFCCVEGCSA-N -1 1 364.448 2.518 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ncc(C#N)cc2Br)ccc1F ZINC001260754748 1040770675 /nfs/dbraw/zinc/77/06/75/1040770675.db2.gz NDGMBPVIZUYGIL-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC001254959575 1041071189 /nfs/dbraw/zinc/07/11/89/1041071189.db2.gz SPURTZVINCMNJN-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001261740163 1041390421 /nfs/dbraw/zinc/39/04/21/1041390421.db2.gz SBDNULLVIUARMT-GFCCVEGCSA-N -1 1 365.311 2.552 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(OC(C)C)CC1 ZINC001263288669 1042223439 /nfs/dbraw/zinc/22/34/39/1042223439.db2.gz ZYKBIQNXINGAIK-UHFFFAOYSA-N -1 1 365.869 2.687 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(C)C1CC1 ZINC001263316394 1042236993 /nfs/dbraw/zinc/23/69/93/1042236993.db2.gz SRNMCSLXRNGHQZ-UHFFFAOYSA-N -1 1 363.425 2.677 20 30 FFEDMM C=CCCC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(=O)OC ZINC001309862813 1043561219 /nfs/dbraw/zinc/56/12/19/1043561219.db2.gz FXELPLNPHJTVBI-AWEZNQCLSA-N -1 1 363.838 2.796 20 30 FFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1Cl ZINC001318910501 1044935303 /nfs/dbraw/zinc/93/53/03/1044935303.db2.gz WDBLCCXXTFYODW-UHFFFAOYSA-N -1 1 364.810 2.993 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC001317960355 1045181263 /nfs/dbraw/zinc/18/12/63/1045181263.db2.gz BZPJYDFNVLTYMB-UHFFFAOYSA-N -1 1 355.202 2.872 20 30 FFEDMM C=C[C@@H](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-] ZINC001282202652 1045417400 /nfs/dbraw/zinc/41/74/00/1045417400.db2.gz PRMJHFXDMXEEND-PMPSAXMXSA-N -1 1 359.470 2.746 20 30 FFEDMM C[C@@H](C(=O)N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)s1 ZINC001323580346 1045646753 /nfs/dbraw/zinc/64/67/53/1045646753.db2.gz RYMJLBFYYDDHQC-MRVPVSSYSA-N -1 1 354.840 2.770 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2ccc(CC#N)cc2)cccc1NC(=O)N(C)C ZINC001325012963 1046335631 /nfs/dbraw/zinc/33/56/31/1046335631.db2.gz WBTYDIPLUTUGDP-UHFFFAOYSA-N -1 1 372.450 2.955 20 30 FFEDMM COc1cc([C@@H](C#N)NC(=O)c2ccc(F)c([O-])c2)cc(OC)c1OC ZINC001292362772 1049315749 /nfs/dbraw/zinc/31/57/49/1049315749.db2.gz QTDJSDBNJJLLCS-CYBMUJFWSA-N -1 1 360.341 2.552 20 30 FFEDMM N#CC1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2cccs2)CC1 ZINC001344905836 1052118902 /nfs/dbraw/zinc/11/89/02/1052118902.db2.gz HTFNSJBBJLDZPA-UHFFFAOYSA-N -1 1 374.861 2.566 20 30 FFEDMM C=CCCCCCN(C)c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCCO1 ZINC001343279391 1052130051 /nfs/dbraw/zinc/13/00/51/1052130051.db2.gz YNIMVOUDQXAJGL-AWEZNQCLSA-N -1 1 360.462 2.735 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001343712621 1052384187 /nfs/dbraw/zinc/38/41/87/1052384187.db2.gz AEELRJPNNNXTKG-CYBMUJFWSA-N -1 1 366.425 2.737 20 30 FFEDMM C=CCN(CCc1ccco1)c1nnc(-c2c[n-][nH]c2=O)n1CC1CC1 ZINC001346015700 1052707828 /nfs/dbraw/zinc/70/78/28/1052707828.db2.gz KXLKYIXJERQBPB-UHFFFAOYSA-N -1 1 354.414 2.612 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001351563391 1054902691 /nfs/dbraw/zinc/90/26/91/1054902691.db2.gz YBFYDSOGBIUVQB-XQQFMLRXSA-N -1 1 354.458 2.985 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@@H]1CSC ZINC001338708074 1055748798 /nfs/dbraw/zinc/74/87/98/1055748798.db2.gz DIQYSWWKIWUJOY-CYBMUJFWSA-N -1 1 372.498 2.836 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC001338708424 1055748824 /nfs/dbraw/zinc/74/88/24/1055748824.db2.gz IRLOICZLYOXYDD-JSGCOSHPSA-N -1 1 370.457 2.508 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001338708423 1055749306 /nfs/dbraw/zinc/74/93/06/1055749306.db2.gz IRLOICZLYOXYDD-GXTWGEPZSA-N -1 1 370.457 2.508 20 30 FFEDMM C=CC[C@@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC001350602342 1055855651 /nfs/dbraw/zinc/85/56/51/1055855651.db2.gz XQJICZSXEZOOCE-SECBINFHSA-N -1 1 364.037 2.726 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001338907510 1055925462 /nfs/dbraw/zinc/92/54/62/1055925462.db2.gz YNURJTXVHQATSJ-BBRMVZONSA-N -1 1 366.425 2.526 20 30 FFEDMM C=CC[C@@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)C(=O)[O-] ZINC001350760624 1055927219 /nfs/dbraw/zinc/92/72/19/1055927219.db2.gz ZDPZCKOVXMORPF-HZPDHXFCSA-N -1 1 365.861 2.805 20 30 FFEDMM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3scnc3Cl)sc2C1 ZINC001351271417 1056166681 /nfs/dbraw/zinc/16/66/81/1056166681.db2.gz XIJXZWUECYSMMX-UHFFFAOYSA-N -1 1 366.855 2.887 20 30 FFEDMM CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001339325530 1056331215 /nfs/dbraw/zinc/33/12/15/1056331215.db2.gz BGXCDTQKEKKLEP-AWEZNQCLSA-N -1 1 372.860 2.501 20 30 FFEDMM Cn1c(CCCCC#N)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001519656432 1058922419 /nfs/dbraw/zinc/92/24/19/1058922419.db2.gz FHHJTYZWMQLKTH-UHFFFAOYSA-N -1 1 367.453 2.856 20 30 FFEDMM C=CCC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001514858652 1059127710 /nfs/dbraw/zinc/12/77/10/1059127710.db2.gz IMTMRFWYWHEIBW-CYBMUJFWSA-N -1 1 354.472 2.927 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1c1c(C)cccc1C ZINC001520336116 1059619226 /nfs/dbraw/zinc/61/92/26/1059619226.db2.gz BBCUKCOSERZHSC-HNNXBMFYSA-N -1 1 364.457 2.526 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1c1c(C)cccc1C ZINC001520336116 1059619231 /nfs/dbraw/zinc/61/92/31/1059619231.db2.gz BBCUKCOSERZHSC-HNNXBMFYSA-N -1 1 364.457 2.526 20 30 FFEDMM N#C[C@H](NC(=O)c1ccc(I)cc1[O-])C1CCCC1 ZINC001455208195 1059727686 /nfs/dbraw/zinc/72/76/86/1059727686.db2.gz IKLJKGCTBZZHNK-LBPRGKRZSA-N -1 1 370.190 2.809 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(Cc1ccc(C)nc1)CC1CC1 ZINC001355996688 1060794284 /nfs/dbraw/zinc/79/42/84/1060794284.db2.gz HHUNJHKFDUMWBL-UHFFFAOYSA-N -1 1 365.441 2.680 20 30 FFEDMM CCC(CC)(NC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1nn[n-]n1 ZINC001467792717 1063853626 /nfs/dbraw/zinc/85/36/26/1063853626.db2.gz FWVLYIFIDQQWGC-UHFFFAOYSA-N -1 1 352.442 2.715 20 30 FFEDMM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1F ZINC001561713816 1076411444 /nfs/dbraw/zinc/41/14/44/1076411444.db2.gz BBUKFMIRGYFJAJ-HWPZZCPQSA-N -1 1 368.817 2.751 20 30 FFEDMM C#CCCCCCC(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001588345210 1079990219 /nfs/dbraw/zinc/99/02/19/1079990219.db2.gz VGPMDUXNKWPMKV-UHFFFAOYSA-N -1 1 363.425 2.883 20 30 FFEDMM C#CCCCCCC(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001588345210 1079990222 /nfs/dbraw/zinc/99/02/22/1079990222.db2.gz VGPMDUXNKWPMKV-UHFFFAOYSA-N -1 1 363.425 2.883 20 30 FFEDMM C=CC[C@H](CC)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001588540889 1080087350 /nfs/dbraw/zinc/08/73/50/1080087350.db2.gz HCDMFRVLDIMZNO-NSHDSACASA-N -1 1 358.471 2.946 20 30 FFEDMM C=CCOc1cccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC001588690294 1080157085 /nfs/dbraw/zinc/15/70/85/1080157085.db2.gz YCIFYFXHDAPEAC-UHFFFAOYSA-N -1 1 353.386 2.989 20 30 FFEDMM C=CC[C@H](C(=O)[O-])N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001588730845 1080174110 /nfs/dbraw/zinc/17/41/10/1080174110.db2.gz XIFLIKPIJXDCKD-CYBMUJFWSA-N -1 1 357.237 2.781 20 30 FFEDMM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc2cncn2c1 ZINC001588885578 1080233791 /nfs/dbraw/zinc/23/37/91/1080233791.db2.gz UZDXGCQUXVTRKW-UHFFFAOYSA-N -1 1 352.346 2.989 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@](C)(CCF)C(=O)[O-] ZINC001589332043 1080486058 /nfs/dbraw/zinc/48/60/58/1080486058.db2.gz WGZDDTCBGCSOJH-YVEFUNNKSA-N -1 1 367.446 2.669 20 30 FFEDMM C[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(-c2ccncc2)cc1 ZINC001589987913 1080923871 /nfs/dbraw/zinc/92/38/71/1080923871.db2.gz UHGVNVOFYSTELL-GFCCVEGCSA-N -1 1 369.392 2.763 20 30 FFEDMM C[C@H](Sc1cccc(F)c1-c1nn[n-]n1)C(=O)NC1(C#N)CCCCC1 ZINC001590035399 1080960489 /nfs/dbraw/zinc/96/04/89/1080960489.db2.gz GIISSWNIONTGGG-NSHDSACASA-N -1 1 374.445 2.829 20 30 FFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055548666 506774111 /nfs/dbraw/zinc/77/41/11/506774111.db2.gz TYMUKCBUDCDGGQ-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)ccc1Cl ZINC000055585209 506788052 /nfs/dbraw/zinc/78/80/52/506788052.db2.gz DPEIANJWDXROML-UHFFFAOYSA-N -1 1 370.217 2.765 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)c1 ZINC000050534213 507691811 /nfs/dbraw/zinc/69/18/11/507691811.db2.gz BFYZCZORMZSNRA-UHFFFAOYSA-N -1 1 369.446 2.872 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C#N)cc1 ZINC000078597785 507887391 /nfs/dbraw/zinc/88/73/91/507887391.db2.gz KDTKPRLNOAZVHC-ZDUSSCGKSA-N -1 1 357.435 2.685 20 30 FFEDMM C[C@H](C#N)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000081791321 508211595 /nfs/dbraw/zinc/21/15/95/508211595.db2.gz ZXDRPACQCZASFM-SNVBAGLBSA-N -1 1 359.332 2.812 20 30 FFEDMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000121888492 508441161 /nfs/dbraw/zinc/44/11/61/508441161.db2.gz IGCHMWANQLEIAD-GASCZTMLSA-N -1 1 371.462 2.973 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(S(C)(=O)=O)cs1 ZINC000129959033 508783900 /nfs/dbraw/zinc/78/39/00/508783900.db2.gz UJJAOEFPWZMRAJ-NSHDSACASA-N -1 1 359.432 2.528 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000159863870 508902700 /nfs/dbraw/zinc/90/27/00/508902700.db2.gz UMFWGOCCAADTBZ-GFCCVEGCSA-N -1 1 363.421 2.733 20 30 FFEDMM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000131910032 508980761 /nfs/dbraw/zinc/98/07/61/508980761.db2.gz TYWWRJLKBMATCT-OAHLLOKOSA-N -1 1 364.373 2.811 20 30 FFEDMM COc1ccc(NC(=O)[C@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000155444126 509002778 /nfs/dbraw/zinc/00/27/78/509002778.db2.gz GSUDHENYZUMHRU-CYBMUJFWSA-N -1 1 368.418 2.856 20 30 FFEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)NCc3ccccc3)nc(=O)c2c1C ZINC000155449724 509003765 /nfs/dbraw/zinc/00/37/65/509003765.db2.gz QGLPPXRIADODGQ-ZDUSSCGKSA-N -1 1 352.419 2.525 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1noc(-c2ccccc2)n1 ZINC000126589695 509100248 /nfs/dbraw/zinc/10/02/48/509100248.db2.gz DTZVSMILSUDUCE-LBPRGKRZSA-N -1 1 354.391 2.648 20 30 FFEDMM CC#CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000126668330 509110600 /nfs/dbraw/zinc/11/06/00/509110600.db2.gz OOTNVDIVALOGJS-UHFFFAOYSA-N -1 1 362.838 2.894 20 30 FFEDMM CC[C@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000162095613 509172341 /nfs/dbraw/zinc/17/23/41/509172341.db2.gz BGECXHQOBNNAIX-GOSISDBHSA-N -1 1 357.435 2.909 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc2C[C@@H]1C ZINC000179024860 509230041 /nfs/dbraw/zinc/23/00/41/509230041.db2.gz SUCPWQMTLJYSSP-LBPRGKRZSA-N -1 1 369.446 2.965 20 30 FFEDMM C#CCOc1ccccc1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000267179692 509382076 /nfs/dbraw/zinc/38/20/76/509382076.db2.gz VNPZUCSNZWVBJC-UHFFFAOYSA-N -1 1 353.422 2.730 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(CCC#N)CC(C)(C)C ZINC000264213777 509385968 /nfs/dbraw/zinc/38/59/68/509385968.db2.gz GDQRVJVNMVAAJR-UHFFFAOYSA-N -1 1 367.453 2.884 20 30 FFEDMM CN1C(=O)C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000189086509 509405059 /nfs/dbraw/zinc/40/50/59/509405059.db2.gz RZPYJGBFDFKCQW-CRAIPNDOSA-N -1 1 369.808 2.619 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1[O-] ZINC000189190892 509456557 /nfs/dbraw/zinc/45/65/57/509456557.db2.gz GVSGUMBTNVQNMG-UHFFFAOYSA-N -1 1 364.327 2.956 20 30 FFEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000193359889 509880050 /nfs/dbraw/zinc/88/00/50/509880050.db2.gz XWZKNMHZKKSCIS-UHFFFAOYSA-N -1 1 355.419 2.828 20 30 FFEDMM C=CCn1c(-c2sc(NC(=O)[C@H]3CCCOC3)nc2C)n[n-]c1=S ZINC000171291537 510057763 /nfs/dbraw/zinc/05/77/63/510057763.db2.gz WFEVRNVBDZFRLO-JTQLQIEISA-N -1 1 365.484 2.924 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1 ZINC000171337521 510089828 /nfs/dbraw/zinc/08/98/28/510089828.db2.gz XTRPIUKGYNWSTH-UHFFFAOYSA-N -1 1 360.435 2.550 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cc1[O-] ZINC000190982826 510450605 /nfs/dbraw/zinc/45/06/05/510450605.db2.gz SQIBKLKUIYWOIZ-UHFFFAOYSA-N -1 1 370.453 2.500 20 30 FFEDMM Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c(C)o1 ZINC000188081897 510582885 /nfs/dbraw/zinc/58/28/85/510582885.db2.gz BWKOQBHIQPYHBQ-UHFFFAOYSA-N -1 1 367.405 2.508 20 30 FFEDMM C=CCOc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1OC ZINC000263498395 510726214 /nfs/dbraw/zinc/72/62/14/510726214.db2.gz KGHHIPRYUOYHRY-CHWSQXEVSA-N -1 1 359.344 2.955 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000175705665 510745828 /nfs/dbraw/zinc/74/58/28/510745828.db2.gz ZHBNHKVQEDJWIU-CYBMUJFWSA-N -1 1 368.418 2.572 20 30 FFEDMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000172590130 510808926 /nfs/dbraw/zinc/80/89/26/510808926.db2.gz ZONKYIAIRYTTKW-UHFFFAOYSA-N -1 1 367.434 2.946 20 30 FFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000330327386 510964881 /nfs/dbraw/zinc/96/48/81/510964881.db2.gz KWFHEICAOWJZDC-OCCSQVGLSA-N -1 1 373.457 2.747 20 30 FFEDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000289529141 511102883 /nfs/dbraw/zinc/10/28/83/511102883.db2.gz NDDBHUJQDARSLK-SECBINFHSA-N -1 1 356.398 2.943 20 30 FFEDMM CCc1ccc(C#CC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000294700160 511148066 /nfs/dbraw/zinc/14/80/66/511148066.db2.gz NBICIHHGNOQGDM-MRXNPFEDSA-N -1 1 366.383 2.518 20 30 FFEDMM CC[C@@H](CC#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000273899050 511647940 /nfs/dbraw/zinc/64/79/40/511647940.db2.gz VNHYZCUHDHPKQB-VIFPVBQESA-N -1 1 359.304 2.925 20 30 FFEDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)o1 ZINC000274528524 511864962 /nfs/dbraw/zinc/86/49/62/511864962.db2.gz CRMMKSOENYMRHK-UHFFFAOYSA-N -1 1 359.329 2.606 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cc(N3CCOCC3)ccc2C)ccc1C#N ZINC000281971787 512031385 /nfs/dbraw/zinc/03/13/85/512031385.db2.gz LSMFCNTURYHJFL-UHFFFAOYSA-N -1 1 371.462 2.813 20 30 FFEDMM Cc1cc(N=C([O-])Nc2nnc(C=Cc3ccco3)s2)nn1CCC#N ZINC000446328810 513236575 /nfs/dbraw/zinc/23/65/75/513236575.db2.gz CUPJXMPSZNQNHL-AATRIKPKSA-N -1 1 369.410 2.786 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435759050 513678723 /nfs/dbraw/zinc/67/87/23/513678723.db2.gz IKYJMOOEQOGTFP-UHFFFAOYSA-N -1 1 355.419 2.583 20 30 FFEDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000436148195 513774566 /nfs/dbraw/zinc/77/45/66/513774566.db2.gz GBTZOBUPUIUJLY-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000443370005 513952046 /nfs/dbraw/zinc/95/20/46/513952046.db2.gz OQTJHQLYZHHZDA-UHFFFAOYSA-N -1 1 356.860 2.665 20 30 FFEDMM N#CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436843605 514003387 /nfs/dbraw/zinc/00/33/87/514003387.db2.gz JBNKXURCPOKWDX-KRWDZBQOSA-N -1 1 351.406 2.570 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1F ZINC000427099181 514115135 /nfs/dbraw/zinc/11/51/35/514115135.db2.gz FPVQSRGBZCDDKK-UHFFFAOYSA-N -1 1 373.409 2.621 20 30 FFEDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427110587 514119630 /nfs/dbraw/zinc/11/96/30/514119630.db2.gz MAYYAAWBYCFNLL-UHFFFAOYSA-N -1 1 361.398 2.556 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(cc(C)c(=O)n3C)c2)ccc1C#N ZINC000427299756 514176662 /nfs/dbraw/zinc/17/66/62/514176662.db2.gz PWOCNXBKIKHEJO-UHFFFAOYSA-N -1 1 367.430 2.828 20 30 FFEDMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000484696073 514752413 /nfs/dbraw/zinc/75/24/13/514752413.db2.gz XJTDYQCHWLTGQY-UHFFFAOYSA-N -1 1 368.798 2.954 20 30 FFEDMM CC(C)C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)C ZINC000475809292 514818504 /nfs/dbraw/zinc/81/85/04/514818504.db2.gz VNAQMQLJRNUCTO-HNNXBMFYSA-N -1 1 358.504 2.746 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nc(C(C)(C)C)no1 ZINC000481070684 515195706 /nfs/dbraw/zinc/19/57/06/515195706.db2.gz KCBFFARQYIXGEV-SNVBAGLBSA-N -1 1 366.418 2.558 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1cc(C)cc(C)c1 ZINC000469087808 515664369 /nfs/dbraw/zinc/66/43/69/515664369.db2.gz YTJNBDLJBOIFDQ-GOSISDBHSA-N -1 1 372.446 2.676 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1[O-] ZINC000478148808 515717670 /nfs/dbraw/zinc/71/76/70/515717670.db2.gz LLXSNHRTZPYDHH-CYBMUJFWSA-N -1 1 366.295 2.626 20 30 FFEDMM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000482924721 515849589 /nfs/dbraw/zinc/84/95/89/515849589.db2.gz DYKDRVLUMWWZNA-CQSZACIVSA-N -1 1 371.418 2.874 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C)c(C)cc1C(=O)[O-] ZINC000478677016 515919768 /nfs/dbraw/zinc/91/97/68/515919768.db2.gz QISPIDSHRQARBS-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)o1 ZINC000497539032 516325816 /nfs/dbraw/zinc/32/58/16/516325816.db2.gz WLKLWYDFKBSKGD-UHFFFAOYSA-N -1 1 350.421 2.747 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1NC(C)=O ZINC000513426522 516619433 /nfs/dbraw/zinc/61/94/33/516619433.db2.gz JEAFGUOQMWOAEN-UHFFFAOYSA-N -1 1 359.407 2.635 20 30 FFEDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000561694629 516720030 /nfs/dbraw/zinc/72/00/30/516720030.db2.gz QMXWOTPUDUPTNS-UHFFFAOYSA-N -1 1 357.435 2.759 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000548241227 516846977 /nfs/dbraw/zinc/84/69/77/516846977.db2.gz UOFITBAWRMUEQH-FZMZJTMJSA-N -1 1 372.393 2.538 20 30 FFEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000537020189 517006604 /nfs/dbraw/zinc/00/66/04/517006604.db2.gz LUJCUIUEMQJACC-VIFPVBQESA-N -1 1 357.781 2.822 20 30 FFEDMM C=CCCOCCCCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000537214847 517091983 /nfs/dbraw/zinc/09/19/83/517091983.db2.gz ZUJYKOVBFGBABQ-UHFFFAOYSA-N -1 1 358.435 2.899 20 30 FFEDMM COc1ccc(CS(=O)(=O)c2nc(-c3ccc(C)cc3)n[n-]2)cc1C#N ZINC000556063916 517252473 /nfs/dbraw/zinc/25/24/73/517252473.db2.gz NHANQZTXOUOYPN-UHFFFAOYSA-N -1 1 368.418 2.634 20 30 FFEDMM COc1ccc(CS(=O)(=O)c2n[n-]c(-c3ccc(C)cc3)n2)cc1C#N ZINC000556063916 517252481 /nfs/dbraw/zinc/25/24/81/517252481.db2.gz NHANQZTXOUOYPN-UHFFFAOYSA-N -1 1 368.418 2.634 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2csc(-c3ccccc3)n2)o1 ZINC000553423449 517706050 /nfs/dbraw/zinc/70/60/50/517706050.db2.gz MSIUULWKOPVTJW-UHFFFAOYSA-N -1 1 359.432 2.796 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(Br)c2)o1 ZINC000553480536 517737779 /nfs/dbraw/zinc/73/77/79/517737779.db2.gz XUGSHHHMAUSHHM-CHWSQXEVSA-N -1 1 367.224 2.748 20 30 FFEDMM C=CCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000543169635 517944177 /nfs/dbraw/zinc/94/41/77/517944177.db2.gz LOCAPUUNIYDFEH-LBPRGKRZSA-N -1 1 352.239 2.703 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(Cl)cccc32)o1 ZINC000563723632 518090698 /nfs/dbraw/zinc/09/06/98/518090698.db2.gz JCFMBLATZOCFPC-ZDUSSCGKSA-N -1 1 352.799 2.997 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)cc1Br ZINC000569781386 518285540 /nfs/dbraw/zinc/28/55/40/518285540.db2.gz ILNPYZUGCXXNJJ-JOYOIKCWSA-N -1 1 359.220 2.537 20 30 FFEDMM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000586842080 518661950 /nfs/dbraw/zinc/66/19/50/518661950.db2.gz LHGZCDLYNQTNQN-LBPRGKRZSA-N -1 1 358.419 2.548 20 30 FFEDMM COCCCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000586994520 518674551 /nfs/dbraw/zinc/67/45/51/518674551.db2.gz AMMFNNXAKAWGKT-UHFFFAOYSA-N -1 1 356.378 2.940 20 30 FFEDMM COc1ccc(Br)c(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589170666 518938757 /nfs/dbraw/zinc/93/87/57/518938757.db2.gz WEFUIFBEWZKMFP-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM CCOC(=O)c1sc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)nc1C ZINC000589189377 518946076 /nfs/dbraw/zinc/94/60/76/518946076.db2.gz UCYCEAKSPVSRDP-JTQLQIEISA-N -1 1 359.407 2.697 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 ZINC000589439156 519004786 /nfs/dbraw/zinc/00/47/86/519004786.db2.gz UDGOYYQPBYLXSJ-UHFFFAOYSA-N -1 1 360.435 2.850 20 30 FFEDMM CCc1nc(SC[C@@H](O)COc2ccc(CC#N)cc2)[n-]c(=O)c1C ZINC000577627771 519177833 /nfs/dbraw/zinc/17/78/33/519177833.db2.gz HRXVPKRZABCFPX-AWEZNQCLSA-N -1 1 359.451 2.651 20 30 FFEDMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000583413803 519233847 /nfs/dbraw/zinc/23/38/47/519233847.db2.gz XPWSEUCMRSHWOB-UHFFFAOYSA-N -1 1 374.491 2.616 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC(C#N)C1 ZINC000590491778 519246727 /nfs/dbraw/zinc/24/67/27/519246727.db2.gz JUEFKRDGQYFLJE-UHFFFAOYSA-N -1 1 373.409 2.531 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(=O)OCC ZINC000594780356 520154233 /nfs/dbraw/zinc/15/42/33/520154233.db2.gz FKCDTMGODSTKBA-CQSZACIVSA-N -1 1 363.838 2.796 20 30 FFEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1)C(C)C ZINC000592353099 520346081 /nfs/dbraw/zinc/34/60/81/520346081.db2.gz SBBYDJHRCPGZLZ-ZDUSSCGKSA-N -1 1 361.261 2.733 20 30 FFEDMM COCCOCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000600663272 520382374 /nfs/dbraw/zinc/38/23/74/520382374.db2.gz AJOZJBRKZQHBKQ-UHFFFAOYSA-N -1 1 360.435 2.831 20 30 FFEDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1F ZINC000600667778 520385239 /nfs/dbraw/zinc/38/52/39/520385239.db2.gz HUAGYWKPWHNWBV-QFYYESIMSA-N -1 1 372.393 2.502 20 30 FFEDMM C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000610083329 520534220 /nfs/dbraw/zinc/53/42/20/520534220.db2.gz WVBTXGSHDBJDLK-PBHICJAKSA-N -1 1 373.453 2.811 20 30 FFEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3nc4ncccn4n3)sc2[C@@H](C)C1 ZINC000598840670 520871326 /nfs/dbraw/zinc/87/13/26/520871326.db2.gz XORQYQQVYWXVOV-ZJUUUORDSA-N -1 1 352.423 2.996 20 30 FFEDMM Cn1ccnc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(F)c1 ZINC000614294167 520894561 /nfs/dbraw/zinc/89/45/61/520894561.db2.gz VWUQYMFXFPFNLD-QGZVFWFLSA-N -1 1 350.353 2.656 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c1 ZINC000614366813 520927235 /nfs/dbraw/zinc/92/72/35/520927235.db2.gz FKLPYXHXSXNLLU-MRXNPFEDSA-N -1 1 371.393 2.557 20 30 FFEDMM CC(C)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1nccs1 ZINC000614373978 520930985 /nfs/dbraw/zinc/93/09/85/520930985.db2.gz MUUHXMLFGRXWMO-CQSZACIVSA-N -1 1 358.423 2.504 20 30 FFEDMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC2(C#N)CC2)CCCCCC1 ZINC000593638540 521123231 /nfs/dbraw/zinc/12/32/31/521123231.db2.gz KQQNUJWFNVJCQI-UHFFFAOYSA-N -1 1 356.488 2.644 20 30 FFEDMM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000618716357 521195834 /nfs/dbraw/zinc/19/58/34/521195834.db2.gz KKWGSQOMGXAIOL-OAHLLOKOSA-N -1 1 352.337 2.941 20 30 FFEDMM COc1cc2[n-]cc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)c(=O)c2c(OC)c1 ZINC000599527894 521279128 /nfs/dbraw/zinc/27/91/28/521279128.db2.gz WLNIZAAZHPMRDK-MPBGBICISA-N -1 1 369.421 2.748 20 30 FFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1cc(CCc2ccccc2)[nH][nH]1 ZINC000619376734 521540484 /nfs/dbraw/zinc/54/04/84/521540484.db2.gz FXHKTEACNDGCIL-IBGZPJMESA-N -1 1 369.428 2.809 20 30 FFEDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000619467935 521583534 /nfs/dbraw/zinc/58/35/34/521583534.db2.gz NUNFKXNBOTXEPF-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM N#CC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000619565212 521771500 /nfs/dbraw/zinc/77/15/00/521771500.db2.gz ZVZDDPDKFDVISL-KRWDZBQOSA-N -1 1 363.417 2.570 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000619617739 521797559 /nfs/dbraw/zinc/79/75/59/521797559.db2.gz YAJREHHCRBGCHE-UHFFFAOYSA-N -1 1 371.824 2.684 20 30 FFEDMM C=CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc1OC ZINC000630458118 522861380 /nfs/dbraw/zinc/86/13/80/522861380.db2.gz QZEZYWQQTWWKLR-HNNXBMFYSA-N -1 1 365.817 2.562 20 30 FFEDMM C=CCOc1ccc(CN2CCN(c3nc(=N)[n-]s3)CC2)cc1Cl ZINC000535798481 562568314 /nfs/dbraw/zinc/56/83/14/562568314.db2.gz JPFBKPYIBMYSMU-UHFFFAOYSA-N -1 1 365.890 2.661 20 30 FFEDMM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1c(C)nn(C)c1C ZINC000736305468 599149724 /nfs/dbraw/zinc/14/97/24/599149724.db2.gz WIOBGYJQQAITBI-UHFFFAOYSA-N -1 1 371.449 2.729 20 30 FFEDMM C#CCOc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000735380739 598819645 /nfs/dbraw/zinc/81/96/45/598819645.db2.gz MAVHGLDPDSNYMR-UHFFFAOYSA-N -1 1 365.397 2.826 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2[C@H]3CCCO[C@H]3C2(C)C)o1 ZINC000819966084 599336316 /nfs/dbraw/zinc/33/63/16/599336316.db2.gz WBSACKKSUCKVIU-BXKDBHETSA-N -1 1 359.434 2.755 20 30 FFEDMM C#C[C@H](C)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819688664 599624976 /nfs/dbraw/zinc/62/49/76/599624976.db2.gz LTTKUGNCWKJWCJ-NSHDSACASA-N -1 1 352.325 2.977 20 30 FFEDMM C#C[C@H](C)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819688664 599624977 /nfs/dbraw/zinc/62/49/77/599624977.db2.gz LTTKUGNCWKJWCJ-NSHDSACASA-N -1 1 352.325 2.977 20 30 FFEDMM CS(=O)(=O)c1ccccc1NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000738176390 600182607 /nfs/dbraw/zinc/18/26/07/600182607.db2.gz MGUPVZXOKFMZPP-UHFFFAOYSA-N -1 1 357.391 2.716 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736108980 600296937 /nfs/dbraw/zinc/29/69/37/600296937.db2.gz YSVBWQQDWXJDFE-ZBFHGGJFSA-N -1 1 362.495 2.838 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736282115 600564785 /nfs/dbraw/zinc/56/47/85/600564785.db2.gz QWIJOGDLPCDXIV-HZPDHXFCSA-N -1 1 359.426 2.673 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737920684 600891810 /nfs/dbraw/zinc/89/18/10/600891810.db2.gz POPGAXWQZGPSGO-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM CN(CC1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1)C(=O)[O-] ZINC000739665788 602373701 /nfs/dbraw/zinc/37/37/01/602373701.db2.gz UUSSLSYKAZRQAY-UHFFFAOYSA-N -1 1 353.426 2.701 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000740130540 602793172 /nfs/dbraw/zinc/79/31/72/602793172.db2.gz OCLJFEIUHGQSAM-XYJFISCASA-N -1 1 372.469 2.608 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833402534 605598123 /nfs/dbraw/zinc/59/81/23/605598123.db2.gz OZEKFFXVNHBRMY-SNVBAGLBSA-N -1 1 364.354 2.616 20 30 FFEDMM O=C([O-])NCCCOC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000834238409 605766532 /nfs/dbraw/zinc/76/65/32/605766532.db2.gz LFVUUEQJUZPNBV-UHFFFAOYSA-N -1 1 350.846 2.830 20 30 FFEDMM N#CC(C(=O)CCCCNC(=O)[O-])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000833961153 605909140 /nfs/dbraw/zinc/90/91/40/605909140.db2.gz OSXFBIKKJARIRM-SNVBAGLBSA-N -1 1 355.753 2.564 20 30 FFEDMM COc1cc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)ccc1O ZINC000821708770 606856764 /nfs/dbraw/zinc/85/67/64/606856764.db2.gz ZJEHTHZEUWOPTQ-UHFFFAOYSA-N -1 1 371.401 2.604 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3ccc(C#N)cc23)o1 ZINC000820198210 607148396 /nfs/dbraw/zinc/14/83/96/607148396.db2.gz SPMAUAXEGFNKGS-UHFFFAOYSA-N -1 1 361.369 2.777 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OCC#N ZINC000826178869 608093479 /nfs/dbraw/zinc/09/34/79/608093479.db2.gz PHIIOVBZJYKBOH-DUXPYHPUSA-N -1 1 367.390 2.735 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OCC#N ZINC000826178869 608093480 /nfs/dbraw/zinc/09/34/80/608093480.db2.gz PHIIOVBZJYKBOH-DUXPYHPUSA-N -1 1 367.390 2.735 20 30 FFEDMM Cn1cc(C=CC(=O)c2ccc([O-])cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360040 609308711 /nfs/dbraw/zinc/30/87/11/609308711.db2.gz VVXITZUDWKCHPA-DHZHZOJOSA-N -1 1 372.388 2.869 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000076935664 728269276 /nfs/dbraw/zinc/26/92/76/728269276.db2.gz BGHKPKVSTKWBGY-UHFFFAOYSA-N -1 1 355.419 2.794 20 30 FFEDMM C#CCN1C(=O)/C(=C/c2ccc([O-])c(Br)c2)SC1=S ZINC000084635022 728423948 /nfs/dbraw/zinc/42/39/48/728423948.db2.gz YKSCLZXRCVZIRW-XFFZJAGNSA-N -1 1 354.250 2.989 20 30 FFEDMM N#Cc1ccc(OC2CN(C(=O)c3cc(Br)ccc3[O-])C2)cc1 ZINC000130551973 728719400 /nfs/dbraw/zinc/71/94/00/728719400.db2.gz MJDMJIAYHLHNNH-UHFFFAOYSA-N -1 1 373.206 2.930 20 30 FFEDMM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000163397606 728957310 /nfs/dbraw/zinc/95/73/10/728957310.db2.gz FKUMQRPSKKFXEW-UHFFFAOYSA-N -1 1 358.419 2.547 20 30 FFEDMM C#C[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000174445802 729072435 /nfs/dbraw/zinc/07/24/35/729072435.db2.gz DDUWMJZKXOLIMJ-NSHDSACASA-N -1 1 365.357 2.944 20 30 FFEDMM [O-]c1c(Br)cccc1C=NN1C(=S)N=NC1[C@@H]1CCCO1 ZINC000915954799 737667032 /nfs/dbraw/zinc/66/70/32/737667032.db2.gz MBWNQAPYGRNGPX-JTQLQIEISA-N -1 1 369.244 2.769 20 30 FFEDMM Cn1ncc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)c1C(F)(F)F ZINC000867503094 731192622 /nfs/dbraw/zinc/19/26/22/731192622.db2.gz XRFMZBNVFOPXBG-UHFFFAOYSA-N -1 1 372.372 2.524 20 30 FFEDMM CC(C)n1cc(S(=O)(=O)[N-][C@@H](c2cccc(C#N)c2)C(F)(F)F)cn1 ZINC000867899098 731239900 /nfs/dbraw/zinc/23/99/00/731239900.db2.gz SVTMOBBJSIKIMY-AWEZNQCLSA-N -1 1 372.372 2.918 20 30 FFEDMM C[C@@H](C#N)N(C(=O)c1ccc(I)cc1[O-])C1CC1 ZINC000869254572 731379691 /nfs/dbraw/zinc/37/96/91/731379691.db2.gz TTZJUWDHCDVDON-QMMMGPOBSA-N -1 1 356.163 2.513 20 30 FFEDMM C=CCn1c([C@@H](C)CC)nnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871053693 731590652 /nfs/dbraw/zinc/59/06/52/731590652.db2.gz GBXLDNRNFVQJFB-XHDPSFHLSA-N -1 1 359.396 2.625 20 30 FFEDMM C=C[C@@H](CCC(=O)[O-])NCc1cccc(F)c1I ZINC000871878211 731693598 /nfs/dbraw/zinc/69/35/98/731693598.db2.gz GAQRGXPJXAHTKM-JTQLQIEISA-N -1 1 363.170 2.939 20 30 FFEDMM O=S(=O)(NC1CC1)c1ccc(NN=Cc2ccc([O-])c(Cl)c2)cc1 ZINC000726425459 734423323 /nfs/dbraw/zinc/42/33/23/734423323.db2.gz RLBSZEYOAFIEOA-UHFFFAOYSA-N -1 1 365.842 2.932 20 30 FFEDMM C[C@@H]1CO[C@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000892424547 734557724 /nfs/dbraw/zinc/55/77/24/734557724.db2.gz PZTAVPZPJRRZBG-WCQGTBRESA-N -1 1 357.435 2.877 20 30 FFEDMM CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360909 734633305 /nfs/dbraw/zinc/63/33/05/734633305.db2.gz SBQGIXVCFPXNIX-VIFPVBQESA-N -1 1 359.209 2.864 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000730996355 734661563 /nfs/dbraw/zinc/66/15/63/734661563.db2.gz MDRHXIMYCSMKQX-UHFFFAOYSA-N -1 1 360.391 2.970 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2C)c1 ZINC000730996181 734661596 /nfs/dbraw/zinc/66/15/96/734661596.db2.gz PUGULWDZMZTQDQ-UHFFFAOYSA-N -1 1 359.403 2.594 20 30 FFEDMM COc1ccc(OC(F)F)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000732926731 734776975 /nfs/dbraw/zinc/77/69/75/734776975.db2.gz SXOVHBWUDAJSMF-UYWPIULCSA-N -1 1 352.289 2.525 20 30 FFEDMM N#Cc1ccccc1CSCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000899982499 735583597 /nfs/dbraw/zinc/58/35/97/735583597.db2.gz MCESPJJZTUVDNW-UHFFFAOYSA-N -1 1 354.435 2.594 20 30 FFEDMM CCO[C@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000748254818 735630807 /nfs/dbraw/zinc/63/08/07/735630807.db2.gz IAPBDMRXLGOMNE-HNNXBMFYSA-N -1 1 369.443 2.844 20 30 FFEDMM [O-]c1c(F)cc(CN=Nc2nc(Br)cn3ccnc23)cc1F ZINC000749861209 735755925 /nfs/dbraw/zinc/75/59/25/735755925.db2.gz JAGYDQBBSLIFKK-UHFFFAOYSA-N -1 1 368.141 2.922 20 30 FFEDMM C#C[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000754367392 736152222 /nfs/dbraw/zinc/15/22/22/736152222.db2.gz SVGJPNDWXUQHQK-OAHLLOKOSA-N -1 1 360.410 2.768 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c(F)cc1C#N ZINC000905105725 736297871 /nfs/dbraw/zinc/29/78/71/736297871.db2.gz DJPBPTWNZFKWQC-UHFFFAOYSA-N -1 1 366.418 2.901 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000756893979 736371244 /nfs/dbraw/zinc/37/12/44/736371244.db2.gz LBGZPSGRNWPBGE-PWSUYJOCSA-N -1 1 365.817 2.534 20 30 FFEDMM C=C(Cl)C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908743262 736823822 /nfs/dbraw/zinc/82/38/22/736823822.db2.gz MZUJXIVCGATAHT-KBPBESRZSA-N -1 1 369.849 2.702 20 30 FFEDMM CCC1(CC)C(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000762602964 736843911 /nfs/dbraw/zinc/84/39/11/736843911.db2.gz GTDUGCOZNLXDDM-OAHLLOKOSA-N -1 1 369.443 2.595 20 30 FFEDMM C=C(Cl)C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909121660 736886701 /nfs/dbraw/zinc/88/67/01/736886701.db2.gz CAVMRTCQAHGVLJ-UONOGXRCSA-N -1 1 374.268 2.838 20 30 FFEDMM CC(C)O[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000764912605 737062454 /nfs/dbraw/zinc/06/24/54/737062454.db2.gz XXKPICLQZPGSOE-HNNXBMFYSA-N -1 1 369.443 2.594 20 30 FFEDMM COC(=O)c1cnc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)s1 ZINC000911288880 737189845 /nfs/dbraw/zinc/18/98/45/737189845.db2.gz RZCPSIOGXCSLAR-VIFPVBQESA-N -1 1 365.361 2.771 20 30 FFEDMM N#Cc1ccc(SCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)nc1 ZINC000913615344 737423673 /nfs/dbraw/zinc/42/36/73/737423673.db2.gz PHKBTYJJACSZHD-UHFFFAOYSA-N -1 1 363.345 2.603 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccc2ccccc2c1 ZINC000914354471 737563805 /nfs/dbraw/zinc/56/38/05/737563805.db2.gz IMJJCFISEWNWEI-MRXNPFEDSA-N -1 1 360.435 2.523 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2csc(-c3ccccc3)n2)c2ccccc21 ZINC000914600422 737585751 /nfs/dbraw/zinc/58/57/51/737585751.db2.gz UKUQBYOOPTXVIG-UHFFFAOYSA-N -1 1 368.443 2.883 20 30 FFEDMM N#Cc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1[O-] ZINC000785510850 738972511 /nfs/dbraw/zinc/97/25/11/738972511.db2.gz RDTACYPZGICSQZ-UHFFFAOYSA-N -1 1 350.300 2.520 20 30 FFEDMM Cc1ccc(S(=O)(=O)NN=Cc2ccc([O-])c(Br)c2)cc1 ZINC000916267453 737691151 /nfs/dbraw/zinc/69/11/51/737691151.db2.gz LVXSTAAGBVGHNW-UHFFFAOYSA-N -1 1 369.240 2.776 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(C#N)cc1C ZINC000777047064 738255381 /nfs/dbraw/zinc/25/53/81/738255381.db2.gz ZRCANOJRYIKPEE-UHFFFAOYSA-N -1 1 358.419 2.985 20 30 FFEDMM C=C(C)CS(=O)(=O)Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000790026788 739408537 /nfs/dbraw/zinc/40/85/37/739408537.db2.gz PSHUTFXCAMTMPT-UHFFFAOYSA-N -1 1 367.448 2.772 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(C)cc1F ZINC000793356225 739772425 /nfs/dbraw/zinc/77/24/25/739772425.db2.gz CDPABQMQZNQSGH-UHFFFAOYSA-N -1 1 362.382 2.788 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cscc2Br)c2ccccc21 ZINC000794891103 739939416 /nfs/dbraw/zinc/93/94/16/739939416.db2.gz JRAZVKNYGIBJIX-UHFFFAOYSA-N -1 1 370.253 2.583 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1c(F)cccc1Cl ZINC000807963238 741174423 /nfs/dbraw/zinc/17/44/23/741174423.db2.gz YTAHZZKLBWLWBI-UHFFFAOYSA-N -1 1 351.790 2.942 20 30 FFEDMM CCn1ncc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)n1 ZINC000815084512 741898410 /nfs/dbraw/zinc/89/84/10/741898410.db2.gz LONVSYCGXUNZKE-UHFFFAOYSA-N -1 1 371.451 2.566 20 30 FFEDMM C=CCOCCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000815179765 741909407 /nfs/dbraw/zinc/90/94/07/741909407.db2.gz WKRLEYOAXSGOFU-UHFFFAOYSA-N -1 1 361.419 2.847 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)cc2Br)o1 ZINC000822422789 742731148 /nfs/dbraw/zinc/73/11/48/742731148.db2.gz CPLXJWYETGSIAY-UHFFFAOYSA-N -1 1 366.154 2.511 20 30 FFEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N(C)[C@@H](C)CC#N)c1 ZINC000836738750 746294527 /nfs/dbraw/zinc/29/45/27/746294527.db2.gz NZKHIXMYENASPO-NSHDSACASA-N -1 1 356.348 2.939 20 30 FFEDMM O=S1(=O)[N-]/C(=N/Cc2nc(C3CCCCCC3)no2)c2ccccc21 ZINC000843316176 747810694 /nfs/dbraw/zinc/81/06/94/747810694.db2.gz JFIOQSUGAXVPMB-UHFFFAOYSA-N -1 1 360.439 2.746 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCC#N ZINC000490677688 845920898 /nfs/dbraw/zinc/92/08/98/845920898.db2.gz XZVGXESKZIQGMQ-UHFFFAOYSA-N -1 1 361.398 2.578 20 30 FFEDMM COC(=O)c1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000821668798 945788965 /nfs/dbraw/zinc/78/89/65/945788965.db2.gz JNJQWGABDJKQLO-UHFFFAOYSA-N -1 1 369.385 2.601 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000891019995 961593242 /nfs/dbraw/zinc/59/32/42/961593242.db2.gz GSLOTBBUFNSUQG-FQEVSTJZSA-N -1 1 371.437 2.879 20 30 FFEDMM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000255182849 962426259 /nfs/dbraw/zinc/42/62/59/962426259.db2.gz VZGOXDDBAFHKJN-ZBTAVZRMSA-N -1 1 350.374 2.717 20 30 FFEDMM C=CC[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3C)C2=O)C1 ZINC000656479617 963649660 /nfs/dbraw/zinc/64/96/60/963649660.db2.gz VMJRZXCVQCQUMQ-PBHICJAKSA-N -1 1 356.422 2.613 20 30 FFEDMM N#C[C@H](Oc1[n-]c(=O)ncc1I)c1ccccc1F ZINC001226773786 968051476 /nfs/dbraw/zinc/05/14/76/968051476.db2.gz JXQBDBJRDBZQJW-JTQLQIEISA-N -1 1 371.109 2.570 20 30 FFEDMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1CC#Cc1ccc(F)cc1 ZINC001087552202 968084506 /nfs/dbraw/zinc/08/45/06/968084506.db2.gz RWXVVWYJXRIDKT-ZWKOTPCHSA-N -1 1 367.424 2.561 20 30 FFEDMM C#Cc1cccc(N(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C(C)C)c1 ZINC000067027306 977385005 /nfs/dbraw/zinc/38/50/05/977385005.db2.gz CMDUAPMQUNMQOT-UHFFFAOYSA-N -1 1 362.433 2.605 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@](C)(CCF)C(=O)[O-] ZINC001592225946 977415107 /nfs/dbraw/zinc/41/51/07/977415107.db2.gz QHEGQGLTSPPOAN-PXAZEXFGSA-N -1 1 367.446 2.812 20 30 FFEDMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1CC#Cc1ccc(Cl)cc1 ZINC001088538628 980480906 /nfs/dbraw/zinc/48/09/06/980480906.db2.gz JUVBXUFOXNODFH-PBHICJAKSA-N -1 1 369.852 2.685 20 30 FFEDMM C#Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC001211926269 981196824 /nfs/dbraw/zinc/19/68/24/981196824.db2.gz BXNOQSVJFZAZNJ-UHFFFAOYSA-N -1 1 368.773 2.847 20 30 FFEDMM N#C[C@H](C(=O)[C@@H]1C[C@]12CCOC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000764758184 984695937 /nfs/dbraw/zinc/69/59/37/984695937.db2.gz LSHZQGIAUUMYKZ-UFYHVXEKSA-N -1 1 369.446 2.879 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3ccncc3)cc2)c(=O)o1 ZINC000915981312 989719856 /nfs/dbraw/zinc/71/98/56/989719856.db2.gz PZXNGTLEHWMDRS-DHBDYNCWSA-N -1 1 363.369 2.889 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OCc2cccnc2)c(=O)o1 ZINC000915981837 989719915 /nfs/dbraw/zinc/71/99/15/989719915.db2.gz ZFEGBCIAWXNCAY-ZTBDEIDFSA-N -1 1 363.369 2.889 20 30 FFEDMM C[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@H](C)O)cc2)cc1 ZINC000916076153 989736643 /nfs/dbraw/zinc/73/66/43/989736643.db2.gz XSJJFYZABBYKTB-OLZOCXBDSA-N -1 1 374.418 2.610 20 30 FFEDMM C=C(C)C[C@H](CO)NC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000879813607 1015683250 /nfs/dbraw/zinc/68/32/50/1015683250.db2.gz COBQHDNPUZQAOJ-CQSZACIVSA-N -1 1 373.375 2.622 20 30 FFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000809629168 994560701 /nfs/dbraw/zinc/56/07/01/994560701.db2.gz GRKNLQDZECAWDL-GFCCVEGCSA-N -1 1 351.362 2.711 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCCCC(=O)OCc2ccccc2)c1 ZINC000809755666 994604305 /nfs/dbraw/zinc/60/43/05/994604305.db2.gz AZOLBEBYNIPELY-UHFFFAOYSA-N -1 1 352.390 2.907 20 30 FFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000811604913 995198943 /nfs/dbraw/zinc/19/89/43/995198943.db2.gz FCWUWKJPCTWDKP-ZUOKHONESA-N -1 1 373.453 2.887 20 30 FFEDMM C=CC[C@@H](C)C(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001144014437 997933864 /nfs/dbraw/zinc/93/38/64/997933864.db2.gz VYCFOHWXVHNPAB-MRVPVSSYSA-N -1 1 367.768 2.953 20 30 FFEDMM O=C(CCC(=O)C1CC1)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001144219016 998148122 /nfs/dbraw/zinc/14/81/22/998148122.db2.gz BJHARCNJSAXYNU-VXLYETTFSA-N -1 1 370.434 2.919 20 30 FFEDMM COC(=O)c1ccc2c(c1)CCN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001598991730 998743777 /nfs/dbraw/zinc/74/37/77/998743777.db2.gz UIOURLPLOUPESS-GOSISDBHSA-N -1 1 350.374 2.529 20 30 FFEDMM CC(C)OC(=O)NCc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000735025993 999381876 /nfs/dbraw/zinc/38/18/76/999381876.db2.gz BRPDVFPEPSBNIF-UHFFFAOYSA-N -1 1 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MSMOYZPPWQVGFV-ZDUSSCGKSA-N -1 1 352.442 2.578 20 30 FFEDMM C#C[C@H](C)N(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1Cc1ccccc1 ZINC001122079335 1024322695 /nfs/dbraw/zinc/32/26/95/1024322695.db2.gz RFLTUHFZFJWNPB-AWEZNQCLSA-N -1 1 374.448 2.824 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cccn3c(Br)cnc23)c([O-])c1 ZINC001153226124 1027804485 /nfs/dbraw/zinc/80/44/85/1027804485.db2.gz HGURHCXNEIBTMW-UHFFFAOYSA-N -1 1 357.167 2.926 20 30 FFEDMM NC(=O)c1cnc(Cl)cc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155909200 1028971685 /nfs/dbraw/zinc/97/16/85/1028971685.db2.gz KJHZRAHMEGDPFT-UHFFFAOYSA-N -1 1 374.706 2.980 20 30 FFEDMM N#Cc1ccc(NC(=O)c2ccc3nnc(-c4cccnc4)n3c2)c([O-])c1 ZINC001156251440 1029111595 /nfs/dbraw/zinc/11/15/95/1029111595.db2.gz OYJQRLXWWDQGHC-UHFFFAOYSA-N -1 1 356.345 2.621 20 30 FFEDMM C#CCC1(NC(=O)c2cc(I)ccc2[O-])CCC1 ZINC001156396677 1029180515 /nfs/dbraw/zinc/18/05/15/1029180515.db2.gz XNHSZPOZYYYDKM-UHFFFAOYSA-N -1 1 355.175 2.673 20 30 FFEDMM N#Cc1cc(C#N)c(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)nc1Cl ZINC001157157579 1029484925 /nfs/dbraw/zinc/48/49/25/1029484925.db2.gz VFMNMPXFZCIKAO-UHFFFAOYSA-N -1 1 374.724 2.563 20 30 FFEDMM Cn1nc(C(=O)Nc2ccc(C#N)cc2[O-])c2cc(Br)cnc21 ZINC001157214198 1029508104 /nfs/dbraw/zinc/50/81/04/1029508104.db2.gz AGBWWQZTEVVQAK-UHFFFAOYSA-N -1 1 372.182 2.560 20 30 FFEDMM COc1cncc(CCNc2nc(SC)nc(Cl)c2/C=N/[O-])c1 ZINC001158378488 1029815584 /nfs/dbraw/zinc/81/55/84/1029815584.db2.gz NAJGRDVRDXEREF-QGMBQPNBSA-N -1 1 353.835 2.718 20 30 FFEDMM C=CCC[C@@H]1NC(=O)N(c2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)C1=O ZINC000840902327 1029913214 /nfs/dbraw/zinc/91/32/14/1029913214.db2.gz FKQACJKCTYRRAR-ZDUSSCGKSA-N -1 1 369.343 2.565 20 30 FFEDMM C#CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c([O-])c(Cl)c1)CC2 ZINC001276991926 1033981369 /nfs/dbraw/zinc/98/13/69/1033981369.db2.gz HEPCSXLPBBBVCU-ZDUSSCGKSA-N -1 1 350.821 2.536 20 30 FFEDMM C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(OC)c(C(=O)[O-])c2)C1=O ZINC001277168851 1034893218 /nfs/dbraw/zinc/89/32/18/1034893218.db2.gz RIRFVPKBPMOSTJ-FQEVSTJZSA-N -1 1 358.438 2.536 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc([O-])ccc2C#N)[C@H]2OCC[C@@H]21 ZINC001228005862 1035867654 /nfs/dbraw/zinc/86/76/54/1035867654.db2.gz TYSVWRGWUUXESU-ZOBUZTSGSA-N -1 1 360.410 2.810 20 30 FFEDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000836738795 1036797523 /nfs/dbraw/zinc/79/75/23/1036797523.db2.gz PEKKMWOPKLCJAX-UHFFFAOYSA-N -1 1 368.359 2.941 20 30 FFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000836874821 1036912805 /nfs/dbraw/zinc/91/28/05/1036912805.db2.gz WJSHHBBEYSGBKD-UHFFFAOYSA-N -1 1 359.426 2.783 20 30 FFEDMM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1c(C(=O)OC)nc(C(C)C)[n-]c1=O ZINC001234562083 1037088622 /nfs/dbraw/zinc/08/86/22/1037088622.db2.gz WEQDMHDNHMDVKZ-NSHDSACASA-N -1 1 366.414 2.757 20 30 FFEDMM C=C1O[C@@H](C)C(=O)C1Oc1c(O)ccc2c1oc1cc([O-])cc(O)c1c2=O ZINC001234749805 1037167237 /nfs/dbraw/zinc/16/72/37/1037167237.db2.gz DFMATPFJFHEWMD-ZETCQYMHSA-N -1 1 370.313 2.661 20 30 FFEDMM C=C(C)CN1C[C@@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277511045 1037553424 /nfs/dbraw/zinc/55/34/24/1037553424.db2.gz UQHHEHYCQMADAE-SFHVURJKSA-N -1 1 368.836 2.564 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@H](c1ccc(O)cc1)C(F)(F)F ZINC001258319664 1039312458 /nfs/dbraw/zinc/31/24/58/1039312458.db2.gz CRTDLUQSSUFQKP-CQSZACIVSA-N -1 1 356.325 2.846 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2nc(F)ccc2Br)c1 ZINC001259118755 1039728736 /nfs/dbraw/zinc/72/87/36/1039728736.db2.gz XPHDIDSRBVWVCU-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM COc1cccc(S(=O)(=O)[N-]c2ncc(C#N)cc2Br)c1 ZINC001259183572 1039776673 /nfs/dbraw/zinc/77/66/73/1039776673.db2.gz RFVGBYDDDTWJRX-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM COc1ccccc1S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F ZINC001259302146 1039895053 /nfs/dbraw/zinc/89/50/53/1039895053.db2.gz WNFDORVCAGGJBR-UHFFFAOYSA-N -1 1 369.258 2.806 20 30 FFEDMM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1 ZINC001259411973 1039983655 /nfs/dbraw/zinc/98/36/55/1039983655.db2.gz NLNSWGXGHZINSN-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)[N-]c2ccc(F)c3c2OCCC3=O)cc1 ZINC001260045632 1040377033 /nfs/dbraw/zinc/37/70/33/1040377033.db2.gz BYBAHNLVYSXFEG-UHFFFAOYSA-N -1 1 360.366 2.604 20 30 FFEDMM CC[C@H](C)S(=O)(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001260726051 1040753875 /nfs/dbraw/zinc/75/38/75/1040753875.db2.gz KQIFIVOPXDEFGP-JSJZUPIVSA-N -1 1 366.468 2.762 20 30 FFEDMM CC(C)C(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC001213723035 1040839262 /nfs/dbraw/zinc/83/92/62/1040839262.db2.gz SIBSGWFDNKNKTG-QGZVFWFLSA-N -1 1 360.410 2.942 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC2(CCO2)CC1 ZINC001262974959 1042001566 /nfs/dbraw/zinc/00/15/66/1042001566.db2.gz RFEOFHAFFYYUAD-UHFFFAOYSA-N -1 1 361.833 2.644 20 30 FFEDMM Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001309538976 1043427428 /nfs/dbraw/zinc/42/74/28/1043427428.db2.gz PJDBGVMMJJSOPB-UHFFFAOYSA-N -1 1 366.855 2.638 20 30 FFEDMM Cc1cc2cc(C(=O)N=C3[N-]S(=O)(=O)c4ccccc43)oc2cc1C ZINC001321622325 1045733307 /nfs/dbraw/zinc/73/33/07/1045733307.db2.gz CLRPIIPUOSWSFZ-UHFFFAOYSA-N -1 1 354.387 2.929 20 30 FFEDMM CCN1c2ccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cc2CCC1=O ZINC001323858457 1045753636 /nfs/dbraw/zinc/75/36/36/1045753636.db2.gz BDIDBHHFHKNHKV-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1N1CCCC1=O ZINC001324803720 1046234596 /nfs/dbraw/zinc/23/45/96/1046234596.db2.gz UENKYLXHSQPMMF-UHFFFAOYSA-N -1 1 373.409 2.933 20 30 FFEDMM C#CCSCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001540819550 1071006266 /nfs/dbraw/zinc/00/62/66/1071006266.db2.gz HRZMBJKAHKIKCA-UHFFFAOYSA-N -1 1 360.460 2.792 20 30 FFEDMM C=CCCCC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001291730684 1048881434 /nfs/dbraw/zinc/88/14/34/1048881434.db2.gz QUUCLSMJKHMRLI-OXQOHEQNSA-N -1 1 357.454 2.645 20 30 FFEDMM N#Cc1ccc(F)c(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c1 ZINC001296141977 1050028922 /nfs/dbraw/zinc/02/89/22/1050028922.db2.gz OHNGQFHRNIRTFC-CQSZACIVSA-N -1 1 374.738 2.522 20 30 FFEDMM C#Cc1ccc(C(=O)NCc2cccc(-c3nc(C(=O)OCC)n[n-]3)c2)cc1 ZINC001297260216 1050136450 /nfs/dbraw/zinc/13/64/50/1050136450.db2.gz KOZPHYMQQDMEHG-UHFFFAOYSA-N -1 1 374.400 2.560 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)Cc1cnn(C)c1C ZINC001340475440 1050871839 /nfs/dbraw/zinc/87/18/39/1050871839.db2.gz ZGDLASJKISULTO-UHFFFAOYSA-N -1 1 373.848 2.563 20 30 FFEDMM C#CC1(F)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)C1 ZINC001303142689 1051285812 /nfs/dbraw/zinc/28/58/12/1051285812.db2.gz TZCKUBSIFYBVDK-UHFFFAOYSA-N -1 1 372.421 2.593 20 30 FFEDMM C#C[C@@H]1CCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC(C)C)C1 ZINC001342820960 1051427486 /nfs/dbraw/zinc/42/74/86/1051427486.db2.gz VAIRJLUZAKPCFI-CQSZACIVSA-N -1 1 366.469 2.824 20 30 FFEDMM C=CCCCN(CC)c1nnc(-c2nc(Cl)n[n-]2)n1C[C@@H]1CCCO1 ZINC001343138889 1051761507 /nfs/dbraw/zinc/76/15/07/1051761507.db2.gz SWAMSLZEVNBUCL-LBPRGKRZSA-N -1 1 365.869 2.688 20 30 FFEDMM C#Cc1ccccc1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001306830757 1052196083 /nfs/dbraw/zinc/19/60/83/1052196083.db2.gz RKGGTOBBEBGTMQ-UHFFFAOYSA-N -1 1 352.781 2.993 20 30 FFEDMM C#Cc1ccccc1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001306830757 1052196084 /nfs/dbraw/zinc/19/60/84/1052196084.db2.gz RKGGTOBBEBGTMQ-UHFFFAOYSA-N -1 1 352.781 2.993 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC001309311083 1052596600 /nfs/dbraw/zinc/59/66/00/1052596600.db2.gz QEFJOKXVHBHMBE-LLVKDONJSA-N -1 1 372.381 2.787 20 30 FFEDMM C=C(C)C[C@H](C)C(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001346668271 1053202128 /nfs/dbraw/zinc/20/21/28/1053202128.db2.gz IIGLUIHGKIIYSY-LUQKVYGDSA-N -1 1 371.481 2.891 20 30 FFEDMM CCSCc1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001337589355 1054871033 /nfs/dbraw/zinc/87/10/33/1054871033.db2.gz UHXJLLCINAGQIK-UHFFFAOYSA-N -1 1 360.460 2.819 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1c1c(C)cccc1C ZINC001352093436 1055187603 /nfs/dbraw/zinc/18/76/03/1055187603.db2.gz KXFXFQONSXEYGV-CQSZACIVSA-N -1 1 350.430 2.603 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H]1c1c(C)cccc1C ZINC001352093436 1055187607 /nfs/dbraw/zinc/18/76/07/1055187607.db2.gz KXFXFQONSXEYGV-CQSZACIVSA-N -1 1 350.430 2.603 20 30 FFEDMM N#Cc1cc(F)c(C(F)(F)F)cc1NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001338067790 1055206099 /nfs/dbraw/zinc/20/60/99/1055206099.db2.gz LFYWODMBNKMZMM-UHFFFAOYSA-N -1 1 368.290 2.897 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCN(CCC#N)CC1 ZINC001356116097 1055303252 /nfs/dbraw/zinc/30/32/52/1055303252.db2.gz OAMGHPISRDPANS-UHFFFAOYSA-N -1 1 372.860 2.526 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCCO[C@H](C)C1 ZINC001356598512 1055605891 /nfs/dbraw/zinc/60/58/91/1055605891.db2.gz CEYABAKJXWWNLR-GFCCVEGCSA-N -1 1 363.849 2.890 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N1CCCCC1 ZINC001338957168 1055964600 /nfs/dbraw/zinc/96/46/00/1055964600.db2.gz NHMGECUWIUPZAB-UHFFFAOYSA-N -1 1 363.425 2.679 20 30 FFEDMM C=CCN(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1Cc1ccccc1 ZINC001353940687 1058401308 /nfs/dbraw/zinc/40/13/08/1058401308.db2.gz ZHAUZEQPHGDXCT-UHFFFAOYSA-N -1 1 362.437 2.989 20 30 FFEDMM COc1cnc(C2(NC(=O)CCc3ccc(C#N)cc3)CCCC2)[n-]c1=O ZINC001456400118 1060114424 /nfs/dbraw/zinc/11/44/24/1060114424.db2.gz RNVJOABINKJZPP-UHFFFAOYSA-N -1 1 366.421 2.581 20 30 FFEDMM C=C[C@@H](CC)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC001546106634 1060713523 /nfs/dbraw/zinc/71/35/23/1060713523.db2.gz FOYOJDZZWXUADO-ZDUSSCGKSA-N -1 1 354.472 2.964 20 30 FFEDMM CCOC(=O)C1=C(NC(=O)c2ccc(C#N)o2)[N-]c2ccccc2N=C1C ZINC001521647610 1061045154 /nfs/dbraw/zinc/04/51/54/1061045154.db2.gz KIIYKVCFEGZTKM-UHFFFAOYSA-N -1 1 364.361 2.874 20 30 FFEDMM C#C[C@@H]1CCCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2ccccc2)C1 ZINC001522115394 1061568538 /nfs/dbraw/zinc/56/85/38/1061568538.db2.gz XDRRVYHPXQPVAE-CYBMUJFWSA-N -1 1 367.844 2.615 20 30 FFEDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)CC2 ZINC001464008080 1062375597 /nfs/dbraw/zinc/37/55/97/1062375597.db2.gz ZSSNNLQUJJQMKV-INIZCTEOSA-N -1 1 357.391 2.741 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc(C#N)c2)o1 ZINC001531984559 1062943706 /nfs/dbraw/zinc/94/37/06/1062943706.db2.gz FXKPXBGDTQVGLE-UHFFFAOYSA-N -1 1 365.386 2.619 20 30 FFEDMM Cc1ccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c(C#N)c1 ZINC001473080415 1065194236 /nfs/dbraw/zinc/19/42/36/1065194236.db2.gz SIKSGTPDFXXRDS-UHFFFAOYSA-N -1 1 355.375 2.824 20 30 FFEDMM N#C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC001581857189 1079009614 /nfs/dbraw/zinc/00/96/14/1079009614.db2.gz SFPYMNPJFIZCIS-JTQLQIEISA-N -1 1 363.164 2.761 20 30 FFEDMM N#C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC001581857189 1079009623 /nfs/dbraw/zinc/00/96/23/1079009623.db2.gz SFPYMNPJFIZCIS-JTQLQIEISA-N -1 1 363.164 2.761 20 30 FFEDMM N#Cc1ncc(SCc2ccc(C(F)(F)F)cc2)nc1-c1nn[n-]n1 ZINC001581885080 1079012889 /nfs/dbraw/zinc/01/28/89/1079012889.db2.gz MXDPDEGRMLSOFZ-UHFFFAOYSA-N -1 1 363.328 2.839 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001565899413 1076788498 /nfs/dbraw/zinc/78/84/98/1076788498.db2.gz HHOOOFDPIOVISW-CABCVRRESA-N -1 1 352.350 2.607 20 30 FFEDMM C=CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001573351980 1077678430 /nfs/dbraw/zinc/67/84/30/1077678430.db2.gz ZKZYDYVGLTVLLA-RBSFLKMASA-N -1 1 370.371 2.552 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC(C)CC1 ZINC001588438661 1080027780 /nfs/dbraw/zinc/02/77/80/1080027780.db2.gz YDSAWPPCBJELKV-UHFFFAOYSA-N -1 1 354.418 2.531 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC(C)CC1 ZINC001588438661 1080027789 /nfs/dbraw/zinc/02/77/89/1080027789.db2.gz YDSAWPPCBJELKV-UHFFFAOYSA-N -1 1 354.418 2.531 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](CC)C1 ZINC001588438647 1080028628 /nfs/dbraw/zinc/02/86/28/1080028628.db2.gz XNAQHTDPEIJMQC-GFCCVEGCSA-N -1 1 354.418 2.531 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](CC)C1 ZINC001588438647 1080028638 /nfs/dbraw/zinc/02/86/38/1080028638.db2.gz XNAQHTDPEIJMQC-GFCCVEGCSA-N -1 1 354.418 2.531 20 30 FFEDMM C=CCC(C)(C)C(=O)NCC[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588538215 1080086658 /nfs/dbraw/zinc/08/66/58/1080086658.db2.gz KWOKTXODADNJJK-JTQLQIEISA-N -1 1 363.491 2.541 20 30 FFEDMM C=CCCCC(=O)N(C)[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588581814 1080107380 /nfs/dbraw/zinc/10/73/80/1080107380.db2.gz BANDHPYUTMLJTK-VIFPVBQESA-N -1 1 369.882 2.592 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(OC(F)(F)F)cc2)o1 ZINC001588781353 1080193360 /nfs/dbraw/zinc/19/33/60/1080193360.db2.gz WGTWUZXHALXVNN-UHFFFAOYSA-N -1 1 367.291 2.898 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCCc3cc(N)ccc32)o1 ZINC001589664825 1080658590 /nfs/dbraw/zinc/65/85/90/1080658590.db2.gz XZYSSKFJLAUWEZ-UHFFFAOYSA-N -1 1 366.429 2.788 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCC[C@H]2[C@H]2CCOC2)o1 ZINC001589773516 1080728500 /nfs/dbraw/zinc/72/85/00/1080728500.db2.gz JLJNXBKMQLITQN-RYUDHWBXSA-N -1 1 359.434 2.973 20 30 FFEDMM Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(-c2cnn(C)c2)c1 ZINC000375012382 512119897 /nfs/dbraw/zinc/11/98/97/512119897.db2.gz VHAZKZMZIPPNFQ-OVKVCFKUSA-N -1 1 350.374 2.624 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2)o1 ZINC000331553838 258190451 /nfs/dbraw/zinc/19/04/51/258190451.db2.gz AGCWIVIBOURIHN-LBPRGKRZSA-N -1 1 365.842 2.752 20 30 FFEDMM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000055192961 506695207 /nfs/dbraw/zinc/69/52/07/506695207.db2.gz YOYAXHUVIIRSSM-UHFFFAOYSA-N -1 1 359.283 2.761 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000055563724 506779109 /nfs/dbraw/zinc/77/91/09/506779109.db2.gz VKMKDKCSSRJVES-UHFFFAOYSA-N -1 1 356.447 2.892 20 30 FFEDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000015187150 507023231 /nfs/dbraw/zinc/02/32/31/507023231.db2.gz POLCJEQZOFKBLL-UHFFFAOYSA-N -1 1 362.842 2.978 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)ccc1Cl ZINC000071091989 507693710 /nfs/dbraw/zinc/69/37/10/507693710.db2.gz HYEVNHUBZVENPK-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM CCN(CC)[C@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccco1 ZINC000063698575 507759686 /nfs/dbraw/zinc/75/96/86/507759686.db2.gz BHUZTYYNBMBREG-CQSZACIVSA-N -1 1 374.466 2.787 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(C#N)c2)o1 ZINC000076825522 508256269 /nfs/dbraw/zinc/25/62/69/508256269.db2.gz LSKMIOVVAZCJQW-UHFFFAOYSA-N -1 1 365.386 2.619 20 30 FFEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cn2)n1 ZINC000114673448 508335505 /nfs/dbraw/zinc/33/55/05/508335505.db2.gz OOMGRAAHEDNGBT-UHFFFAOYSA-N -1 1 367.434 2.865 20 30 FFEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)cc21 ZINC000134459627 508535689 /nfs/dbraw/zinc/53/56/89/508535689.db2.gz WXOPNGVKONEYPH-UHFFFAOYSA-N -1 1 373.409 2.797 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1noc(-c2ccccc2)n1 ZINC000128208648 508563179 /nfs/dbraw/zinc/56/31/79/508563179.db2.gz LTVIPCXNXWLKEX-NSHDSACASA-N -1 1 372.381 2.787 20 30 FFEDMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000157979108 508641499 /nfs/dbraw/zinc/64/14/99/508641499.db2.gz RLAWCYCWRNUNFY-UHFFFAOYSA-N -1 1 358.419 2.810 20 30 FFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1Cl ZINC000137242351 508747365 /nfs/dbraw/zinc/74/73/65/508747365.db2.gz XKICQTDMSKFDRV-UHFFFAOYSA-N -1 1 364.810 2.993 20 30 FFEDMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2[nH]1 ZINC000150801711 508895990 /nfs/dbraw/zinc/89/59/90/508895990.db2.gz KCTXVCHUEWNZLQ-UHFFFAOYSA-N -1 1 355.423 2.928 20 30 FFEDMM C=CCCS(=O)(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000120055715 508918902 /nfs/dbraw/zinc/91/89/02/508918902.db2.gz DEFLGIACPCPOJX-UHFFFAOYSA-N -1 1 366.464 2.805 20 30 FFEDMM N#C[C@H](C(=O)OCC(F)(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155665390 509048268 /nfs/dbraw/zinc/04/82/68/509048268.db2.gz WASFSBAVVKLOHL-QMMMGPOBSA-N -1 1 371.340 2.576 20 30 FFEDMM CC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000162048959 509170594 /nfs/dbraw/zinc/17/05/94/509170594.db2.gz NTGHIIZQYPMYRX-GOSISDBHSA-N -1 1 357.435 2.909 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000185701784 509313680 /nfs/dbraw/zinc/31/36/80/509313680.db2.gz NESKCHMCUHJMMY-AWEZNQCLSA-N -1 1 362.373 2.966 20 30 FFEDMM Cc1ccccc1CS(=O)(=O)[N-]c1cc(C#N)c(Br)cn1 ZINC000186646728 509824577 /nfs/dbraw/zinc/82/45/77/509824577.db2.gz SSHDBOIRCBTPIF-UHFFFAOYSA-N -1 1 366.240 2.966 20 30 FFEDMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000190149145 509969016 /nfs/dbraw/zinc/96/90/16/509969016.db2.gz ATVZUTKBZYJECC-UHFFFAOYSA-N -1 1 369.446 2.807 20 30 FFEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2)n[nH]1 ZINC000172591174 510810856 /nfs/dbraw/zinc/81/08/56/510810856.db2.gz JNZOJYZXJDANSD-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM C=C(CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000288196981 511066949 /nfs/dbraw/zinc/06/69/49/511066949.db2.gz NUUVFJTXZGOOAK-UHFFFAOYSA-N -1 1 350.422 2.814 20 30 FFEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289657859 511107960 /nfs/dbraw/zinc/10/79/60/511107960.db2.gz BIYOBYRUBGGUQP-ZETCQYMHSA-N -1 1 352.199 2.872 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)ccc1C#N ZINC000365495264 511487100 /nfs/dbraw/zinc/48/71/00/511487100.db2.gz NOVMIVBXHHEMQX-UHFFFAOYSA-N -1 1 356.407 2.645 20 30 FFEDMM C=CCCC[C@@H](C)NC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000365772438 511646303 /nfs/dbraw/zinc/64/63/03/511646303.db2.gz ADBXYGHFZFAGDH-CYBMUJFWSA-N -1 1 363.462 2.615 20 30 FFEDMM Cc1ncc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cc1C#N ZINC000327667061 511879551 /nfs/dbraw/zinc/87/95/51/511879551.db2.gz ARFZMBYGNQNEIG-LLVKDONJSA-N -1 1 359.407 2.641 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc(OC)c1OC ZINC000327893971 511883312 /nfs/dbraw/zinc/88/33/12/511883312.db2.gz MRTNOPWVYRNHHQ-UHFFFAOYSA-N -1 1 362.407 2.693 20 30 FFEDMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)c[n-]c2[nH+]1 ZINC000329019107 511968270 /nfs/dbraw/zinc/96/82/70/511968270.db2.gz RUSPZVMJUQPHBW-CQSZACIVSA-N -1 1 368.437 2.863 20 30 FFEDMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)c[n-]c2n1 ZINC000329019107 511968285 /nfs/dbraw/zinc/96/82/85/511968285.db2.gz RUSPZVMJUQPHBW-CQSZACIVSA-N -1 1 368.437 2.863 20 30 FFEDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(C#N)c3C)ccc21 ZINC000366345321 511969303 /nfs/dbraw/zinc/96/93/03/511969303.db2.gz IQUYWRFZZGYEBN-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM COc1cc(NC(=O)C2(C3CC3)CCOCC2)ccc1[N-]S(C)(=O)=O ZINC000329601879 512075009 /nfs/dbraw/zinc/07/50/09/512075009.db2.gz FLBYMUAXZDGXCG-UHFFFAOYSA-N -1 1 368.455 2.862 20 30 FFEDMM N#Cc1cccnc1-n1cc([N-]S(=O)(=O)Cc2ccccc2Cl)cn1 ZINC000375729609 512475387 /nfs/dbraw/zinc/47/53/87/512475387.db2.gz HLCIAVBMWURPAS-UHFFFAOYSA-N -1 1 373.825 2.734 20 30 FFEDMM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000370573032 512999248 /nfs/dbraw/zinc/99/92/48/512999248.db2.gz YFRQWPOMHGUYMX-UHFFFAOYSA-N -1 1 356.382 2.899 20 30 FFEDMM C=CCNC(=O)c1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nc1 ZINC000372737474 513021978 /nfs/dbraw/zinc/02/19/78/513021978.db2.gz FVEPVNVKYXCEHQ-UHFFFAOYSA-N -1 1 365.433 2.802 20 30 FFEDMM C=CCCCS(=O)(=O)[N-]c1cc(C)c(I)cn1 ZINC000451092592 513513804 /nfs/dbraw/zinc/51/38/04/513513804.db2.gz MCNDBDIBRGQJTO-UHFFFAOYSA-N -1 1 366.224 2.703 20 30 FFEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)n[nH]1 ZINC000435758540 513679449 /nfs/dbraw/zinc/67/94/49/513679449.db2.gz GJPZUBFQZXIYEU-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM N#Cc1ccc(C(=O)NCCc2nc(-c3ccncc3)cs2)cc1[O-] ZINC000442961423 513829197 /nfs/dbraw/zinc/82/91/97/513829197.db2.gz YREXVHLGFMDRMA-UHFFFAOYSA-N -1 1 350.403 2.755 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1c(F)cccc1F ZINC000443017768 513844608 /nfs/dbraw/zinc/84/46/08/513844608.db2.gz AESAJZXNHSPWRD-VIFPVBQESA-N -1 1 367.333 2.784 20 30 FFEDMM N#Cc1ccc(C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1[O-] ZINC000443115127 513876180 /nfs/dbraw/zinc/87/61/80/513876180.db2.gz XLHLMPSBKWFHIG-UHFFFAOYSA-N -1 1 362.385 2.965 20 30 FFEDMM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(F)F ZINC000451634618 513876694 /nfs/dbraw/zinc/87/66/94/513876694.db2.gz SASUSZRHSFXNPN-VIFPVBQESA-N -1 1 353.188 2.643 20 30 FFEDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(F)F ZINC000451634617 513877047 /nfs/dbraw/zinc/87/70/47/513877047.db2.gz SASUSZRHSFXNPN-SECBINFHSA-N -1 1 353.188 2.643 20 30 FFEDMM COC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000443302560 513927008 /nfs/dbraw/zinc/92/70/08/513927008.db2.gz ZGTMNNRKDMHKFS-HNNXBMFYSA-N -1 1 358.781 2.951 20 30 FFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000443423070 513966225 /nfs/dbraw/zinc/96/62/25/513966225.db2.gz PCMTUEUVVZQVBC-UHFFFAOYSA-N -1 1 355.423 2.582 20 30 FFEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1OC ZINC000427114885 514121414 /nfs/dbraw/zinc/12/14/14/514121414.db2.gz PLAZABIRSRGVCT-UHFFFAOYSA-N -1 1 350.371 2.905 20 30 FFEDMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)cc2)c1C ZINC000427774420 514310788 /nfs/dbraw/zinc/31/07/88/514310788.db2.gz QRDHDCAYJHEIFE-UHFFFAOYSA-N -1 1 367.434 2.865 20 30 FFEDMM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2OC)ccc1C#N ZINC000417588147 514424420 /nfs/dbraw/zinc/42/44/20/514424420.db2.gz UNCVJVJDWMDZFR-INIZCTEOSA-N -1 1 370.405 2.890 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000475786948 514809168 /nfs/dbraw/zinc/80/91/68/514809168.db2.gz CPJORTQSBADDGM-UHFFFAOYSA-N -1 1 355.419 2.902 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc(Cl)c1F ZINC000480224390 514885944 /nfs/dbraw/zinc/88/59/44/514885944.db2.gz DZOWIXKXWSDXCW-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)no1 ZINC000489634345 514924268 /nfs/dbraw/zinc/92/42/68/514924268.db2.gz NSHDQONQQJJDGT-UHFFFAOYSA-N -1 1 372.381 2.534 20 30 FFEDMM CC#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000498576010 514980887 /nfs/dbraw/zinc/98/08/87/514980887.db2.gz PMTASBYFBMGWID-UHFFFAOYSA-N -1 1 356.447 2.939 20 30 FFEDMM COc1cccc(-c2nsc(NC([O-])=COc3ccccc3C#N)n2)c1 ZINC000476313330 514998032 /nfs/dbraw/zinc/99/80/32/514998032.db2.gz DOXPUOVGMDNLPO-UHFFFAOYSA-N -1 1 366.402 2.525 20 30 FFEDMM CC(C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1F ZINC000490450431 515218007 /nfs/dbraw/zinc/21/80/07/515218007.db2.gz CBMFMWMOAHFZJQ-UHFFFAOYSA-N -1 1 363.370 2.819 20 30 FFEDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000494425048 515840925 /nfs/dbraw/zinc/84/09/25/515840925.db2.gz ZYEBIFGXPPBDHQ-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000474427803 516040662 /nfs/dbraw/zinc/04/06/62/516040662.db2.gz QLMZWDOBMNCUNW-UHFFFAOYSA-N -1 1 367.228 2.722 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)c(F)c1 ZINC000547908738 516628434 /nfs/dbraw/zinc/62/84/34/516628434.db2.gz GBFSKRZDJWMAPN-UHFFFAOYSA-N -1 1 372.393 2.540 20 30 FFEDMM CCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000532093079 516797675 /nfs/dbraw/zinc/79/76/75/516797675.db2.gz MONJNNNGMRZBNI-UHFFFAOYSA-N -1 1 365.436 2.859 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCc3ccccc32)cn1 ZINC000544839470 516954460 /nfs/dbraw/zinc/95/44/60/516954460.db2.gz UIATVQUHUFZEHT-OAHLLOKOSA-N -1 1 367.352 2.636 20 30 FFEDMM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000519762884 517170434 /nfs/dbraw/zinc/17/04/34/517170434.db2.gz HLHSICDXNCPFLP-UHFFFAOYSA-N -1 1 354.790 2.708 20 30 FFEDMM CCCN(CCC)S(=O)(=O)[N-]c1ccn(-c2cccc(F)c2C#N)n1 ZINC000541896059 517280745 /nfs/dbraw/zinc/28/07/45/517280745.db2.gz TZNRJWJXHFUMBW-UHFFFAOYSA-N -1 1 365.434 2.662 20 30 FFEDMM N#Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000541928035 517297207 /nfs/dbraw/zinc/29/72/07/517297207.db2.gz RGOZSWLSPQBRJA-UHFFFAOYSA-N -1 1 362.382 2.905 20 30 FFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1ccn(Cc2ccccc2)[nH]1 ZINC000527071835 517488303 /nfs/dbraw/zinc/48/83/03/517488303.db2.gz ZSDUDHYGTSPCNO-IBGZPJMESA-N -1 1 355.401 2.546 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](C)C#N)c1 ZINC000521141749 517626545 /nfs/dbraw/zinc/62/65/45/517626545.db2.gz BYMWYALNYUHILS-CYBMUJFWSA-N -1 1 371.462 2.994 20 30 FFEDMM Cc1ccc(I)cc1C([O-])=C(C#N)c1ccncn1 ZINC000546860311 517893277 /nfs/dbraw/zinc/89/32/77/517893277.db2.gz OZJUSLOZKNBHGE-GFCCVEGCSA-N -1 1 363.158 2.880 20 30 FFEDMM Cc1c(I)cccc1C([O-])=C(C#N)c1ccncn1 ZINC000546860944 517894034 /nfs/dbraw/zinc/89/40/34/517894034.db2.gz XSFQJLODENDRLL-NSHDSACASA-N -1 1 363.158 2.880 20 30 FFEDMM N#CCCCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546925735 517925039 /nfs/dbraw/zinc/92/50/39/517925039.db2.gz BDRVKEUBPXNSPZ-UHFFFAOYSA-N -1 1 358.423 2.913 20 30 FFEDMM N#CC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000563672940 518058533 /nfs/dbraw/zinc/05/85/33/518058533.db2.gz WPNRFTRWSONOJJ-UHFFFAOYSA-N -1 1 373.409 2.660 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CC2)o1 ZINC000576370831 518561336 /nfs/dbraw/zinc/56/13/36/518561336.db2.gz ULVUNZFAEGZTBO-UHFFFAOYSA-N -1 1 367.224 2.881 20 30 FFEDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000573282004 518591004 /nfs/dbraw/zinc/59/10/04/518591004.db2.gz KJAFTIYVKGWUBI-UHFFFAOYSA-N -1 1 361.398 2.590 20 30 FFEDMM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000564763491 518602026 /nfs/dbraw/zinc/60/20/26/518602026.db2.gz MVVQTQWDBBADGY-GFCCVEGCSA-N -1 1 352.309 2.695 20 30 FFEDMM COc1ccccc1O[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000588051538 518710691 /nfs/dbraw/zinc/71/06/91/518710691.db2.gz BPQUZVHKPYZKNF-KRWDZBQOSA-N -1 1 352.390 2.956 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCCO4)CCCC2)o1 ZINC000588110147 518728420 /nfs/dbraw/zinc/72/84/20/518728420.db2.gz QEMMDPUIZUTCGY-UHFFFAOYSA-N -1 1 374.418 2.670 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)c1 ZINC000589148621 518930711 /nfs/dbraw/zinc/93/07/11/518930711.db2.gz LMNASPHTGBXRCI-UHFFFAOYSA-N -1 1 360.435 2.720 20 30 FFEDMM COc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1Br ZINC000589175813 518940307 /nfs/dbraw/zinc/94/03/07/518940307.db2.gz ZQNLLFNNJVEPQY-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM COCCN(CCCOc1ccc(F)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589184054 518944210 /nfs/dbraw/zinc/94/42/10/518944210.db2.gz ZAEDJYZSHDUWQY-UHFFFAOYSA-N -1 1 372.396 2.961 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000589189194 518945638 /nfs/dbraw/zinc/94/56/38/518945638.db2.gz MQKMVTBDHDJXQB-UHFFFAOYSA-N -1 1 362.288 2.524 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1F ZINC000589594391 519037717 /nfs/dbraw/zinc/03/77/17/519037717.db2.gz SGGGHYIJKWCXAK-UHFFFAOYSA-N -1 1 359.382 2.773 20 30 FFEDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC3(C#N)CCCCC3)CC2)n1 ZINC000597573296 520111714 /nfs/dbraw/zinc/11/17/14/520111714.db2.gz CTOQXWOIOXMZLU-UHFFFAOYSA-N -1 1 373.457 2.552 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)cc1Br ZINC000594804151 520166071 /nfs/dbraw/zinc/16/60/71/520166071.db2.gz PRQONFMJPMRGAS-NOZJJQNGSA-N -1 1 359.220 2.681 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1[O-] ZINC000600311149 520197392 /nfs/dbraw/zinc/19/73/92/520197392.db2.gz OJAODZJLSMIJGO-KRWDZBQOSA-N -1 1 371.824 2.552 20 30 FFEDMM COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)CCC2 ZINC000598105239 520425049 /nfs/dbraw/zinc/42/50/49/520425049.db2.gz DDTLSVDOQUGXEU-INIZCTEOSA-N -1 1 364.401 2.900 20 30 FFEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000604194647 520482074 /nfs/dbraw/zinc/48/20/74/520482074.db2.gz ZKRLYUVYVKGTAU-UHFFFAOYSA-N -1 1 368.466 2.858 20 30 FFEDMM N#CC(=C([O-])c1cccc(OCC(N)=O)c1)c1nc2cc(F)ccc2s1 ZINC000592974381 520666622 /nfs/dbraw/zinc/66/66/22/520666622.db2.gz RMNDSNRSLABOEU-ZDUSSCGKSA-N -1 1 369.377 2.790 20 30 FFEDMM C=CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000617787353 520717798 /nfs/dbraw/zinc/71/77/98/520717798.db2.gz MPELHVMCNBJRNL-ZDUSSCGKSA-N -1 1 354.472 2.785 20 30 FFEDMM CC1CCN(c2ccc(CNC(=O)c3cc([O-])cc(C#N)c3)cn2)CC1 ZINC000614296881 520896760 /nfs/dbraw/zinc/89/67/60/520896760.db2.gz WHDPYTWCMAIVLC-UHFFFAOYSA-N -1 1 350.422 2.825 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000614297007 520897524 /nfs/dbraw/zinc/89/75/24/520897524.db2.gz IMEBEQFGIPAIJC-IBGZPJMESA-N -1 1 350.374 2.916 20 30 FFEDMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461844 521579115 /nfs/dbraw/zinc/57/91/15/521579115.db2.gz SAVFYIVUCCLMSQ-UHFFFAOYSA-N -1 1 369.446 2.754 20 30 FFEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cn2)n1 ZINC000619461862 521579542 /nfs/dbraw/zinc/57/95/42/521579542.db2.gz WSTWZZNGUGCNHZ-UHFFFAOYSA-N -1 1 367.434 2.751 20 30 FFEDMM CC(C#N)=C([O-])N=c1cc(-c2ccc(I)cc2)[nH][nH]1 ZINC000525490321 562249268 /nfs/dbraw/zinc/24/92/68/562249268.db2.gz PRRAFXYXIYUVOF-MRVPVSSYSA-N -1 1 366.162 2.779 20 30 FFEDMM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735390825 599002457 /nfs/dbraw/zinc/00/24/57/599002457.db2.gz DORTUVKXNFVDCW-UHFFFAOYSA-N -1 1 370.372 2.683 20 30 FFEDMM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735390825 599002459 /nfs/dbraw/zinc/00/24/59/599002459.db2.gz DORTUVKXNFVDCW-UHFFFAOYSA-N -1 1 370.372 2.683 20 30 FFEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735648585 599030799 /nfs/dbraw/zinc/03/07/99/599030799.db2.gz SWBREMULMHSSKF-MRXNPFEDSA-N -1 1 361.409 2.554 20 30 FFEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735648585 599030801 /nfs/dbraw/zinc/03/08/01/599030801.db2.gz SWBREMULMHSSKF-MRXNPFEDSA-N -1 1 361.409 2.554 20 30 FFEDMM COc1ccc2[nH]cc(CN=Nc3oc(C(C)C)nc3-c3nn[n-]n3)c2c1 ZINC000737113307 598392772 /nfs/dbraw/zinc/39/27/72/598392772.db2.gz BMRMREYQMKMLFC-UHFFFAOYSA-N -1 1 366.385 2.914 20 30 FFEDMM C=C1CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)CC1 ZINC000735402052 598535786 /nfs/dbraw/zinc/53/57/86/598535786.db2.gz GNECNCCCRCDMCI-UHFFFAOYSA-N -1 1 356.455 2.653 20 30 FFEDMM C[C@@H](C#N)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735505359 598691262 /nfs/dbraw/zinc/69/12/62/598691262.db2.gz QXBNICWRGJQYHY-NSHDSACASA-N -1 1 366.356 2.688 20 30 FFEDMM C[C@@H](C#N)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735505359 598691264 /nfs/dbraw/zinc/69/12/64/598691264.db2.gz QXBNICWRGJQYHY-NSHDSACASA-N -1 1 366.356 2.688 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2[C@H]3CCCO[C@H]3C2(C)C)o1 ZINC000820107893 599336443 /nfs/dbraw/zinc/33/64/43/599336443.db2.gz DAUFGHUESYBEKB-QMTHXVAHSA-N -1 1 359.434 2.656 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)c1C ZINC000738723558 599948213 /nfs/dbraw/zinc/94/82/13/599948213.db2.gz CBQDWMTVOFSSDD-OAHLLOKOSA-N -1 1 357.454 2.735 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000738363951 600132219 /nfs/dbraw/zinc/13/22/19/600132219.db2.gz PHHJQOQKMBOPGZ-IAGOWNOFSA-N -1 1 357.454 2.735 20 30 FFEDMM N#Cc1c(NC(=O)CNC2(C(=O)[O-])CCCC2)sc2c1CCCCC2 ZINC000739093863 600559541 /nfs/dbraw/zinc/55/95/41/600559541.db2.gz TZPWAWBHNMKORX-UHFFFAOYSA-N -1 1 361.467 2.814 20 30 FFEDMM O=c1c(-c2nn[n-]n2)cn(CC#Cc2cccc(Cl)c2)c2ccccc12 ZINC000823658042 607467174 /nfs/dbraw/zinc/46/71/74/607467174.db2.gz YTQDYFUEZKQWGD-UHFFFAOYSA-N -1 1 361.792 2.887 20 30 FFEDMM N#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1F ZINC000728184569 601840263 /nfs/dbraw/zinc/84/02/63/601840263.db2.gz HBPDPEUJTLTLBU-UHFFFAOYSA-N -1 1 372.736 2.989 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738619443 601850415 /nfs/dbraw/zinc/85/04/15/601850415.db2.gz XEUAOOWCIXCCJH-SJORKVTESA-N -1 1 372.469 2.644 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000830968710 604212489 /nfs/dbraw/zinc/21/24/89/604212489.db2.gz JCOJZQWGXDIEPN-CABCVRRESA-N -1 1 362.389 2.801 20 30 FFEDMM N#CC(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccc(Cl)cc1 ZINC000833961723 605488682 /nfs/dbraw/zinc/48/86/82/605488682.db2.gz UKUNSCGBDMKRNW-RISCZKNCSA-N -1 1 363.801 2.767 20 30 FFEDMM Cc1cccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)c1C ZINC000822323879 606369240 /nfs/dbraw/zinc/36/92/40/606369240.db2.gz PYSIAWIXKDLSLL-UHFFFAOYSA-N -1 1 357.468 2.866 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCOc3ccccc32)o1 ZINC000820198225 606461104 /nfs/dbraw/zinc/46/11/04/606461104.db2.gz SXXFFLJOCAAXQY-LLVKDONJSA-N -1 1 353.386 2.942 20 30 FFEDMM N#CCCCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822806953 606515549 /nfs/dbraw/zinc/51/55/49/606515549.db2.gz XITBOUUSEPZZLC-UHFFFAOYSA-N -1 1 354.395 2.863 20 30 FFEDMM N#CCCCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822806953 606515550 /nfs/dbraw/zinc/51/55/50/606515550.db2.gz XITBOUUSEPZZLC-UHFFFAOYSA-N -1 1 354.395 2.863 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(C3CC3)s2)o1 ZINC000820108716 606776681 /nfs/dbraw/zinc/77/66/81/606776681.db2.gz POAHYOWANRWPTJ-UHFFFAOYSA-N -1 1 358.431 2.833 20 30 FFEDMM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822819347 606895979 /nfs/dbraw/zinc/89/59/79/606895979.db2.gz QQIUFVNPWHJKAF-UHFFFAOYSA-N -1 1 374.282 2.509 20 30 FFEDMM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822819347 606895980 /nfs/dbraw/zinc/89/59/80/606895980.db2.gz QQIUFVNPWHJKAF-UHFFFAOYSA-N -1 1 374.282 2.509 20 30 FFEDMM CCC(Cc1ccc(OC)c(OC)c1)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000825128466 608110049 /nfs/dbraw/zinc/11/00/49/608110049.db2.gz UXKOVUCISDARIX-UHFFFAOYSA-N -1 1 371.401 2.601 20 30 FFEDMM C#Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)nc1 ZINC000823861250 608348092 /nfs/dbraw/zinc/34/80/92/608348092.db2.gz BCCDSJVHUYTURZ-UHFFFAOYSA-N -1 1 352.423 2.854 20 30 FFEDMM C#Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)nc1 ZINC000823861250 608348094 /nfs/dbraw/zinc/34/80/94/608348094.db2.gz BCCDSJVHUYTURZ-UHFFFAOYSA-N -1 1 352.423 2.854 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(C)oc1C ZINC000746491504 735487794 /nfs/dbraw/zinc/48/77/94/735487794.db2.gz HNCGTMBWEPFDGI-UHFFFAOYSA-N -1 1 351.384 2.648 20 30 FFEDMM [O-]c1ccc(C=NNC(=S)NCC(F)(F)F)cc1Br ZINC000746494897 735488203 /nfs/dbraw/zinc/48/82/03/735488203.db2.gz GKSIVRTYVFTBNF-UHFFFAOYSA-N -1 1 356.167 2.515 20 30 FFEDMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC2(C#N)CC2)cc1 ZINC000081763890 728404085 /nfs/dbraw/zinc/40/40/85/728404085.db2.gz LZXKKMIRQGDPLJ-UHFFFAOYSA-N -1 1 357.439 2.569 20 30 FFEDMM C[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000084585155 728423113 /nfs/dbraw/zinc/42/31/13/728423113.db2.gz QWSHSGZOCLCRLI-SSDOTTSWSA-N -1 1 362.333 2.619 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC#N)c2)c1 ZINC000116438472 728571509 /nfs/dbraw/zinc/57/15/09/728571509.db2.gz HIFJAVOUYCZMEC-UHFFFAOYSA-N -1 1 363.826 2.703 20 30 FFEDMM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2ccc(C#N)cc2)c(=O)[n-]1 ZINC000175762874 729101154 /nfs/dbraw/zinc/10/11/54/729101154.db2.gz KYNMDMONZWOUDJ-LBPRGKRZSA-N -1 1 357.435 2.909 20 30 FFEDMM N#C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000177012469 729126207 /nfs/dbraw/zinc/12/62/07/729126207.db2.gz YNGKGVMCEWWNIH-QGZVFWFLSA-N -1 1 356.403 2.946 20 30 FFEDMM C#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000191022947 729413961 /nfs/dbraw/zinc/41/39/61/729413961.db2.gz BDHCHLPTLMUOKO-UHFFFAOYSA-N -1 1 356.447 2.809 20 30 FFEDMM CC[C@@H]1CCN(c2nc([O-])c(CC(=O)Nc3ccc(C#N)cc3)s2)C1 ZINC000864344957 730840345 /nfs/dbraw/zinc/84/03/45/730840345.db2.gz LANIZUSRTXELGK-DOMZBBRYSA-N -1 1 356.451 2.617 20 30 FFEDMM N#Cc1cscc1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870164586 731477976 /nfs/dbraw/zinc/47/79/76/731477976.db2.gz SOLMRFARHRJHNP-UHFFFAOYSA-N -1 1 361.854 2.937 20 30 FFEDMM CN(C(=O)c1ccc(I)cc1[O-])[C@@H]1CCC[C@@H]1C#N ZINC000870675680 731543361 /nfs/dbraw/zinc/54/33/61/731543361.db2.gz HPWBKBMTGDPKIH-BXKDBHETSA-N -1 1 370.190 2.761 20 30 FFEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000872462590 731772990 /nfs/dbraw/zinc/77/29/90/731772990.db2.gz CPCYJVHQFDNCKM-FPTDNZKUSA-N -1 1 357.501 2.762 20 30 FFEDMM C=C(CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000875582667 732171069 /nfs/dbraw/zinc/17/10/69/732171069.db2.gz RVBKFXCPZRSADC-INIZCTEOSA-N -1 1 355.360 2.552 20 30 FFEDMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000783022238 738773460 /nfs/dbraw/zinc/77/34/60/738773460.db2.gz CAWZQAMLCDDJRX-JTQLQIEISA-N -1 1 350.421 2.909 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(OC(F)F)c1 ZINC000734096721 734874050 /nfs/dbraw/zinc/87/40/50/734874050.db2.gz QVLSCSHUPOBVIY-CSPWOOARSA-N -1 1 352.289 2.525 20 30 FFEDMM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C(C)C)N2CCCCC2)n1 ZINC000741012382 735107927 /nfs/dbraw/zinc/10/79/27/735107927.db2.gz MTJFWQSYRCNRSC-GDBMZVCRSA-N -1 1 363.483 2.682 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OCC(F)(F)F)c(=O)o1 ZINC000741840084 735165122 /nfs/dbraw/zinc/16/51/22/735165122.db2.gz FYLJPYXJLPHAHL-IDTUSYRASA-N -1 1 354.280 2.856 20 30 FFEDMM COc1ccc(CNC(=O)c2ccc(Br)cc2[O-])cc1C#N ZINC000747614576 735574295 /nfs/dbraw/zinc/57/42/95/735574295.db2.gz SHMCJGDZPOCXFV-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000748254630 735630794 /nfs/dbraw/zinc/63/07/94/735630794.db2.gz DEFWFJRXZUAFAR-UHFFFAOYSA-N -1 1 355.322 2.576 20 30 FFEDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000749155600 735698677 /nfs/dbraw/zinc/69/86/77/735698677.db2.gz WSROOGFYRTZODU-UHFFFAOYSA-N -1 1 360.391 2.566 20 30 FFEDMM N#CC[C@@H]([N-]S(=O)(=O)c1ccccc1Br)C(F)(F)F ZINC000901775032 735837563 /nfs/dbraw/zinc/83/75/63/735837563.db2.gz JKVQPNGTXDVWKO-SECBINFHSA-N -1 1 357.151 2.572 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cnc(-c3cccs3)s2)c2ccccc21 ZINC000751527601 735890802 /nfs/dbraw/zinc/89/08/02/735890802.db2.gz XCLLWBOTSLNJIW-UHFFFAOYSA-N -1 1 374.472 2.944 20 30 FFEDMM N#Cc1ccsc1N1CC[C@@H](OC(=O)c2c([O-])cc(F)cc2F)C1=O ZINC000751657248 735904401 /nfs/dbraw/zinc/90/44/01/735904401.db2.gz OOEMGBYJJOCROT-GFCCVEGCSA-N -1 1 364.329 2.566 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000756893976 736371251 /nfs/dbraw/zinc/37/12/51/736371251.db2.gz LBGZPSGRNWPBGE-CMPLNLGQSA-N -1 1 365.817 2.534 20 30 FFEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)s1 ZINC000759208937 736555118 /nfs/dbraw/zinc/55/51/18/736555118.db2.gz LBFXQNGTWWTZGI-CYBMUJFWSA-N -1 1 359.407 2.568 20 30 FFEDMM CCCCCCCC[C@H](C)CC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907944793 736692370 /nfs/dbraw/zinc/69/23/70/736692370.db2.gz XYBILEIHROTNBF-HNNXBMFYSA-N -1 1 351.495 2.787 20 30 FFEDMM C=CCCS(=O)(=O)Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000765189774 737092839 /nfs/dbraw/zinc/09/28/39/737092839.db2.gz LYIAXVSLNOVLRF-UHFFFAOYSA-N -1 1 367.448 2.772 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000766481803 737233895 /nfs/dbraw/zinc/23/38/95/737233895.db2.gz AXWDCKNEPZIJEG-UHFFFAOYSA-N -1 1 360.345 2.880 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)ccc1C#N 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/nfs/dbraw/zinc/90/72/99/739907299.db2.gz XWWHGMASOKJVFA-UHFFFAOYSA-N -1 1 359.407 2.756 20 30 FFEDMM CCOC1CC(C=Nn2c(SCC(=O)[O-])nnc2-c2ccoc2C)C1 ZINC000794887507 739939542 /nfs/dbraw/zinc/93/95/42/739939542.db2.gz IYGUIJHJRMJRMD-UHFFFAOYSA-N -1 1 364.427 2.672 20 30 FFEDMM O=C([O-])COc1ccc(C=NNc2cccc(F)n2)cc1Br ZINC000795008593 739950680 /nfs/dbraw/zinc/95/06/80/739950680.db2.gz MKFWMTDBZMPKOW-UHFFFAOYSA-N -1 1 368.162 2.893 20 30 FFEDMM C#C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(C)C ZINC000799044578 740383289 /nfs/dbraw/zinc/38/32/89/740383289.db2.gz PIYTWGATGVULHI-GOSISDBHSA-N -1 1 356.447 2.875 20 30 FFEDMM CCOC(=O)C1(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)CCOCC1 ZINC000802833800 740736205 /nfs/dbraw/zinc/73/62/05/740736205.db2.gz WRPSZPVHTJUJNB-GFCCVEGCSA-N -1 1 364.467 2.977 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)CCC)cc2)c1 ZINC000808072201 741183324 /nfs/dbraw/zinc/18/33/24/741183324.db2.gz BOGOUDCMFFARAI-UHFFFAOYSA-N -1 1 363.460 2.652 20 30 FFEDMM O=S(=O)(NC1CC1)c1ccc(NN=Cc2cccc([O-])c2Cl)cc1 ZINC000814828221 741868436 /nfs/dbraw/zinc/86/84/36/741868436.db2.gz SNROFBXNMMHHOQ-UHFFFAOYSA-N -1 1 365.842 2.932 20 30 FFEDMM O=C([O-])c1ccc(NN=C2COc3cc(F)c(Br)cc32)nc1 ZINC000814890074 741872828 /nfs/dbraw/zinc/87/28/28/741872828.db2.gz HBKHZCKFYKRASJ-UHFFFAOYSA-N -1 1 366.146 2.890 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000816569389 742043059 /nfs/dbraw/zinc/04/30/59/742043059.db2.gz JXAYUDWAQCREEV-CHWSQXEVSA-N -1 1 351.834 2.894 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]CCCCC#N)c(F)cc1Cl ZINC000841481281 747364460 /nfs/dbraw/zinc/36/44/60/747364460.db2.gz NOVQTCBXAQEUGO-UHFFFAOYSA-N -1 1 362.810 2.628 20 30 FFEDMM CCn1c(CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)n[n-]c1=S ZINC000066636151 845480476 /nfs/dbraw/zinc/48/04/76/845480476.db2.gz CLTZLVMLGNCJIC-OAHLLOKOSA-N -1 1 359.455 2.552 20 30 FFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000384134569 845824590 /nfs/dbraw/zinc/82/45/90/845824590.db2.gz DDXSDZIJHIGDAR-LLVKDONJSA-N -1 1 351.653 2.578 20 30 FFEDMM COCC#CCSc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000826147692 947473467 /nfs/dbraw/zinc/47/34/67/947473467.db2.gz IDOPLEMPSHPRIA-UHFFFAOYSA-N -1 1 367.434 2.752 20 30 FFEDMM C=CCN1CC[C@]2(CCCN2C(=O)c2ccc3ccccc3c2[O-])C1=O ZINC001272247257 977356675 /nfs/dbraw/zinc/35/66/75/977356675.db2.gz JQPQIZFYQIYYOF-OAQYLSRUSA-N -1 1 350.418 2.939 20 30 FFEDMM C=CCn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908665547 981494332 /nfs/dbraw/zinc/49/43/32/981494332.db2.gz TUGVQEQEQOBKQJ-OLZOCXBDSA-N -1 1 358.446 2.823 20 30 FFEDMM C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000909227720 981658668 /nfs/dbraw/zinc/65/86/68/981658668.db2.gz YVWRLPSDXAKLRJ-CQSZACIVSA-N -1 1 370.457 2.967 20 30 FFEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C(N)=O)cs1 ZINC000920109257 990794588 /nfs/dbraw/zinc/79/45/88/990794588.db2.gz NDHOGZHMFWYMOG-AWEZNQCLSA-N -1 1 369.446 2.933 20 30 FFEDMM CN(CCOCc1ccc(C#N)cc1)Cc1ccccc1OCC(=O)[O-] ZINC001598498207 992391671 /nfs/dbraw/zinc/39/16/71/992391671.db2.gz RFEVQFYYGAFITF-UHFFFAOYSA-N -1 1 354.406 2.670 20 30 FFEDMM CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000809669983 994575685 /nfs/dbraw/zinc/57/56/85/994575685.db2.gz HCOWSUYWQVVEHC-UHFFFAOYSA-N -1 1 359.426 2.735 20 30 FFEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000809680802 994579111 /nfs/dbraw/zinc/57/91/11/994579111.db2.gz COWZCKWCDFOPOT-STQMWFEESA-N -1 1 359.426 2.734 20 30 FFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000809746198 994601254 /nfs/dbraw/zinc/60/12/54/994601254.db2.gz NLBQUTXDWJCRRC-CHWSQXEVSA-N -1 1 359.426 2.734 20 30 FFEDMM CC(C)C[C@@H](O)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001144167964 998105177 /nfs/dbraw/zinc/10/51/77/998105177.db2.gz MQLKQLDRBVIYOX-KBSHCFNASA-N -1 1 360.439 2.567 20 30 FFEDMM COC(=O)c1ccc(NN=C(C)c2ccccc2OCC(=O)[O-])c(OC)c1 ZINC001598984306 998686692 /nfs/dbraw/zinc/68/66/92/998686692.db2.gz KIPDNBLXITZOOE-UHFFFAOYSA-N -1 1 372.377 2.781 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CN2CCOC2=O)cc1 ZINC000734119680 999203732 /nfs/dbraw/zinc/20/37/32/999203732.db2.gz FXZAHDRLCZERPE-UHFFFAOYSA-N -1 1 371.418 2.620 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001169539356 1000057450 /nfs/dbraw/zinc/05/74/50/1000057450.db2.gz IJTDBNLBFVGKPY-KBXCAEBGSA-N -1 1 364.449 2.608 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]c1nc2c(F)ccc(F)c2nc1Cl ZINC001169970486 1000129716 /nfs/dbraw/zinc/12/97/16/1000129716.db2.gz HITAXYUQFANPBQ-UHFFFAOYSA-N -1 1 364.699 2.988 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c([O-])cc2F)[C@@H](C#N)C1 ZINC001144647862 1000188474 /nfs/dbraw/zinc/18/84/74/1000188474.db2.gz NAPLRKHEAJDZPV-LBPRGKRZSA-N -1 1 353.369 2.615 20 30 FFEDMM Cn1ncc2c1nc(N=NCc1ccc(N3CCCCC3)cc1)[n-]c2=O ZINC000769820019 1000599424 /nfs/dbraw/zinc/59/94/24/1000599424.db2.gz TVMCMPCMYADUGT-UHFFFAOYSA-N -1 1 351.414 2.505 20 30 FFEDMM Cc1cc(=O)n(-c2ccc(C(=O)NC3(C#N)Cc4ccccc4C3)cc2)[n-]1 ZINC001148344974 1001126313 /nfs/dbraw/zinc/12/63/13/1001126313.db2.gz OKJOTINSULXQMZ-UHFFFAOYSA-N -1 1 358.401 2.590 20 30 FFEDMM CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1OC ZINC000785589777 1001455133 /nfs/dbraw/zinc/45/51/33/1001455133.db2.gz DXLFDELQCYONOS-INIZCTEOSA-N -1 1 365.389 2.883 20 30 FFEDMM C[C@@H]1[C@@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC000785625530 1001463925 /nfs/dbraw/zinc/46/39/25/1001463925.db2.gz QNAXVINBHQXOHU-CHWSQXEVSA-N -1 1 359.426 2.734 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785638365 1001465538 /nfs/dbraw/zinc/46/55/38/1001465538.db2.gz RTWYWELDEBKADP-GJZGRUSLSA-N -1 1 359.426 2.830 20 30 FFEDMM CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001183477319 1002286125 /nfs/dbraw/zinc/28/61/25/1002286125.db2.gz JTOATGCEZBOVDW-AWEZNQCLSA-N -1 1 357.410 2.992 20 30 FFEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC)n2)cc1 ZINC000791774536 1002797230 /nfs/dbraw/zinc/79/72/30/1002797230.db2.gz XYNLQTFKPXWKLN-IUODEOHRSA-N -1 1 352.394 2.960 20 30 FFEDMM CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001186143264 1003196000 /nfs/dbraw/zinc/19/60/00/1003196000.db2.gz LPQVHMGBKHZHLA-UHFFFAOYSA-N -1 1 363.370 2.521 20 30 FFEDMM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC001186931840 1003477464 /nfs/dbraw/zinc/47/74/64/1003477464.db2.gz LLDFBKYSIRQNOZ-UHFFFAOYSA-N -1 1 355.419 2.783 20 30 FFEDMM Cc1cc([O-])c(C(=O)NCC(C)(C)S)cc1I ZINC001196139807 1003675341 /nfs/dbraw/zinc/67/53/41/1003675341.db2.gz QBAUAKHWYGCVSL-UHFFFAOYSA-N -1 1 365.236 2.743 20 30 FFEDMM Cc1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)nn1-c1cccc(C#N)c1 ZINC001129759786 1003756608 /nfs/dbraw/zinc/75/66/08/1003756608.db2.gz SOUHTJRQYYDIGP-UHFFFAOYSA-N -1 1 374.404 2.679 20 30 FFEDMM N#Cc1ccnc(NC(=O)c2cc([O-])cc(I)c2)c1 ZINC001196398697 1003762159 /nfs/dbraw/zinc/76/21/59/1003762159.db2.gz JHFZFZXIXJJIKQ-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM COc1cccc2c1OC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196714161 1003924124 /nfs/dbraw/zinc/92/41/24/1003924124.db2.gz TWZQEDOASMMACU-ZDUSSCGKSA-N -1 1 364.810 2.632 20 30 FFEDMM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1F ZINC001197036775 1004057821 /nfs/dbraw/zinc/05/78/21/1004057821.db2.gz OLYUNWYKLYJRHZ-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM C#Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)ccc1F ZINC001192264561 1004110022 /nfs/dbraw/zinc/11/00/22/1004110022.db2.gz DUBUXBSOEKVYPB-UHFFFAOYSA-N -1 1 357.366 2.966 20 30 FFEDMM C=CCCN(OCc1ccccc1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806483937 1004343885 /nfs/dbraw/zinc/34/38/85/1004343885.db2.gz WAVDDCUYWJDRJS-UHFFFAOYSA-N -1 1 351.410 2.884 20 30 FFEDMM COc1ccccc1-n1nc(C(C)(C)C)cc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193106244 1004375541 /nfs/dbraw/zinc/37/55/41/1004375541.db2.gz FBCFBLXGKWNXJL-LBPRGKRZSA-N -1 1 362.455 2.832 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(Br)c1Br ZINC001193158372 1004393722 /nfs/dbraw/zinc/39/37/22/1004393722.db2.gz PAJLHJOWGJAFGW-ZCFIWIBFSA-N -1 1 368.050 2.865 20 30 FFEDMM C=CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1O ZINC001193287598 1004439873 /nfs/dbraw/zinc/43/98/73/1004439873.db2.gz BZCXQBSVMFGMSR-UHFFFAOYSA-N -1 1 360.435 2.889 20 30 FFEDMM CC(C)(C)OC(=O)Nc1cnc(C(=O)Nc2ccc(C#N)cc2[O-])cn1 ZINC001195634099 1005003532 /nfs/dbraw/zinc/00/35/32/1005003532.db2.gz XFALWXQOTMQJFA-UHFFFAOYSA-N -1 1 355.354 2.653 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c1 ZINC000776091994 1005118815 /nfs/dbraw/zinc/11/88/15/1005118815.db2.gz SPJBQWAJOZYPMP-UHFFFAOYSA-N -1 1 373.478 2.778 20 30 FFEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nnn(C(C)(C)C)n2)cc1 ZINC000850761173 1005837123 /nfs/dbraw/zinc/83/71/23/1005837123.db2.gz IIKFGOCJKPAJBM-SWLSCSKDSA-N -1 1 368.441 2.903 20 30 FFEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2nnn(C(C)(C)C)n2)cc1 ZINC000850760780 1005837290 /nfs/dbraw/zinc/83/72/90/1005837290.db2.gz XEFNVGNBCAVWJM-HNNXBMFYSA-N -1 1 368.441 2.732 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](O)c2ccccc2)o1 ZINC000813714670 1006016299 /nfs/dbraw/zinc/01/62/99/1006016299.db2.gz KARIXVBIDSDDAS-MOPGFXCFSA-N -1 1 368.414 2.904 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)c(CC#N)c1 ZINC001188004055 1006361967 /nfs/dbraw/zinc/36/19/67/1006361967.db2.gz CQFVYHDMVDIWTK-UHFFFAOYSA-N -1 1 361.398 2.906 20 30 FFEDMM C#CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)c1ccccc1 ZINC001188364204 1006530346 /nfs/dbraw/zinc/53/03/46/1006530346.db2.gz ZRMYHDOERYPFOR-SBUREZEXSA-N -1 1 362.476 2.742 20 30 FFEDMM N#CCCOCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000815171049 1006541364 /nfs/dbraw/zinc/54/13/64/1006541364.db2.gz JXBKRBSDXMJIAM-UHFFFAOYSA-N -1 1 374.418 2.574 20 30 FFEDMM Cc1[n-][nH]c2ncnc(=NC(=O)c3ccc(-c4ccc(C#N)c(F)c4)cc3)c1-2 ZINC001188696506 1006680721 /nfs/dbraw/zinc/68/07/21/1006680721.db2.gz MMPANKPDRNUIQI-UHFFFAOYSA-N -1 1 372.363 2.965 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000816866755 1007232160 /nfs/dbraw/zinc/23/21/60/1007232160.db2.gz WTTOSNPCCYAREN-INIZCTEOSA-N -1 1 371.437 2.783 20 30 FFEDMM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1F)[C@@H](C)CC ZINC001189706156 1007236156 /nfs/dbraw/zinc/23/61/56/1007236156.db2.gz LHEIZCBPHDXAJU-NHYWBVRUSA-N -1 1 361.410 2.528 20 30 FFEDMM N#Cc1ccc(F)c(F)c1NC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC001152708236 1032220624 /nfs/dbraw/zinc/22/06/24/1032220624.db2.gz QUFWMGNMYHRCGU-UHFFFAOYSA-N -1 1 366.301 2.620 20 30 FFEDMM N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)c(O)c3)CC2)cc1 ZINC001136064845 1007816208 /nfs/dbraw/zinc/81/62/08/1007816208.db2.gz ZWGOENMFZFUDGE-UHFFFAOYSA-N -1 1 353.397 2.751 20 30 FFEDMM C=CCCn1cc(C(=O)OCc2cc(=O)oc3cc([O-])c(CC)cc23)nn1 ZINC000820983329 1008400629 /nfs/dbraw/zinc/40/06/29/1008400629.db2.gz WSVOCUCFYPKWQK-UHFFFAOYSA-N -1 1 369.377 2.586 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)OCCCOc2ccc(C#N)cc2)c1 ZINC000821353325 1008449111 /nfs/dbraw/zinc/44/91/11/1008449111.db2.gz SHZJFGSXNGZXLL-AREMUKBSSA-N -1 1 373.430 2.687 20 30 FFEDMM Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000822022989 1008510651 /nfs/dbraw/zinc/51/06/51/1008510651.db2.gz LOCQJZWNTSCSEY-YGRLFVJLSA-N -1 1 368.359 2.788 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1[O-] ZINC000886129251 1008577384 /nfs/dbraw/zinc/57/73/84/1008577384.db2.gz ZWVDEZXJVHRARS-GOSISDBHSA-N -1 1 364.401 2.755 20 30 FFEDMM C[C@H](C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)n1ccnc1 ZINC001177921360 1008791227 /nfs/dbraw/zinc/79/12/27/1008791227.db2.gz AFHVBRCZPRVQGN-YXZFXQPTSA-N -1 1 368.422 2.618 20 30 FFEDMM N#C[C@H](C(=O)CC1CCOCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000117531697 1009031266 /nfs/dbraw/zinc/03/12/66/1009031266.db2.gz DXCTYCQIEBUVPN-CYBMUJFWSA-N -1 1 371.462 2.856 20 30 FFEDMM C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC000773779793 1009166570 /nfs/dbraw/zinc/16/65/70/1009166570.db2.gz YMFURAAISSMHMW-IUODEOHRSA-N -1 1 359.426 2.782 20 30 FFEDMM Cc1cc(C=O)c([O-])c(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC001179404652 1009324388 /nfs/dbraw/zinc/32/43/88/1009324388.db2.gz GPZUNHBXFUBXFN-SFHVURJKSA-N -1 1 350.374 2.599 20 30 FFEDMM N#Cc1ccc(C(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1[O-] ZINC000887896145 1009670902 /nfs/dbraw/zinc/67/09/02/1009670902.db2.gz USXLYYQGXDCTCI-GFCCVEGCSA-N -1 1 362.311 2.702 20 30 FFEDMM N#Cc1ccc2c(c1)CCCCC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000794854227 1010827443 /nfs/dbraw/zinc/82/74/43/1010827443.db2.gz VPSZHBABCCSOLO-UHFFFAOYSA-N -1 1 364.430 2.727 20 30 FFEDMM COC(=O)Cn1cc(C=NNc2ccccc2C(=O)[O-])c2ccccc21 ZINC000794887158 1010901068 /nfs/dbraw/zinc/90/10/68/1010901068.db2.gz GQLXNHMPUVKPGY-UHFFFAOYSA-N -1 1 351.362 2.959 20 30 FFEDMM C#CCN(C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@H]1CCCc2ccccc21 ZINC000931131709 1020337184 /nfs/dbraw/zinc/33/71/84/1020337184.db2.gz LXCQUOMWMJSBDS-IBGZPJMESA-N -1 1 359.433 2.887 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)OCC ZINC001116888399 1021473235 /nfs/dbraw/zinc/47/32/35/1021473235.db2.gz CDPKLYGWYOKBEA-LLVKDONJSA-N -1 1 370.229 2.919 20 30 FFEDMM Cc1c(C([O-])=C(C#N)C(=O)N(C)Cc2ccccc2)cnn1-c1ccncc1 ZINC001122955706 1023572850 /nfs/dbraw/zinc/57/28/50/1023572850.db2.gz LRXFGAXHIFOTSL-SFHVURJKSA-N -1 1 373.416 2.557 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(SC)CC1 ZINC001121602582 1023875375 /nfs/dbraw/zinc/87/53/75/1023875375.db2.gz VKKXFFHROKKWBE-UHFFFAOYSA-N -1 1 372.498 2.836 20 30 FFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000829504932 1033189342 /nfs/dbraw/zinc/18/93/42/1033189342.db2.gz OGNISOANNWKNLC-HNNXBMFYSA-N -1 1 350.422 2.557 20 30 FFEDMM CCOC(=O)c1sc([N-]C(=O)c2ncc(Cl)cn2)c(C#N)c1C ZINC001124068926 1024268239 /nfs/dbraw/zinc/26/82/39/1024268239.db2.gz QNCYMQVLRGYBAU-UHFFFAOYSA-N -1 1 350.787 2.801 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)Nc1cccc([O-])c1Br ZINC001258290696 1025342430 /nfs/dbraw/zinc/34/24/30/1025342430.db2.gz ZRORBTPJILYWNP-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001141833588 1027023782 /nfs/dbraw/zinc/02/37/82/1027023782.db2.gz IKUBUXPMKFNDQD-UHFFFAOYSA-N -1 1 365.357 2.720 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)cc1C#N ZINC001159367156 1027371310 /nfs/dbraw/zinc/37/13/10/1027371310.db2.gz XDRTXNVQILITPW-UHFFFAOYSA-N -1 1 367.390 2.729 20 30 FFEDMM C=C(C)C[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)OCC ZINC001153510593 1027915457 /nfs/dbraw/zinc/91/54/57/1027915457.db2.gz VPIXDBAUELFQFH-GFCCVEGCSA-N -1 1 356.216 2.782 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N3CCC[C@H]3Cc3ccccn3)cc(=O)c2c1 ZINC001154557334 1028351611 /nfs/dbraw/zinc/35/16/11/1028351611.db2.gz WUCVOGMOZJCWJC-INIZCTEOSA-N -1 1 358.401 2.642 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NCc2nnc3cc(C)ccn32)n1 ZINC001155206429 1028626746 /nfs/dbraw/zinc/62/67/46/1028626746.db2.gz SVSRZYTYGOELFD-UBKPWBPPSA-N -1 1 363.834 2.623 20 30 FFEDMM CCOC(=O)c1cncc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001155909505 1028971800 /nfs/dbraw/zinc/97/18/00/1028971800.db2.gz PALUASHODRFHDN-UHFFFAOYSA-N -1 1 370.287 2.800 20 30 FFEDMM COc1cccc(CC(C)=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)n1 ZINC000782903306 1029848729 /nfs/dbraw/zinc/84/87/29/1029848729.db2.gz VWKKSDDEPBJZAL-UHFFFAOYSA-N -1 1 369.429 2.721 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)CCc1cnccc1C(F)(F)F ZINC001142338300 1030327557 /nfs/dbraw/zinc/32/75/57/1030327557.db2.gz OYBKGNNTAODTKB-UHFFFAOYSA-N -1 1 352.316 2.859 20 30 FFEDMM C=CCn1c(=O)c2ccc(-c3nc(C4(N)CCCC4)no3)cc2[n-]c1=S ZINC000842587522 1030798823 /nfs/dbraw/zinc/79/88/23/1030798823.db2.gz AADUCRNMSSZHET-UHFFFAOYSA-N -1 1 369.450 2.649 20 30 FFEDMM Cc1coc([N-]C(=O)c2nc3c(Cl)nc4ccccc4n3n2)c1C#N ZINC001149976085 1031634067 /nfs/dbraw/zinc/63/40/67/1031634067.db2.gz PNULAOVJUFWMHC-UHFFFAOYSA-N -1 1 352.741 2.956 20 30 FFEDMM C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])C(C)C ZINC000799103345 1031651315 /nfs/dbraw/zinc/65/13/15/1031651315.db2.gz GZEBXRSGFJGZNA-RBUKOAKNSA-N -1 1 364.445 2.924 20 30 FFEDMM C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001277097525 1034517371 /nfs/dbraw/zinc/51/73/71/1034517371.db2.gz IXLKSNWXNYKYMB-AWEZNQCLSA-N -1 1 350.409 2.965 20 30 FFEDMM C=C[C@@H]1O[C@H](Oc2cc(=O)[n-]c(-c3ccccc3)n2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001226184852 1034561834 /nfs/dbraw/zinc/56/18/34/1034561834.db2.gz LCDQJGUGBOIMNQ-VYSRMENRSA-N -1 1 356.378 2.659 20 30 FFEDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](CC#N)c1ccccc1 ZINC001226311537 1034625515 /nfs/dbraw/zinc/62/55/15/1034625515.db2.gz XUXKJOKJYDIHAF-ZDUSSCGKSA-N -1 1 357.322 2.906 20 30 FFEDMM COc1ccc(CC(=O)c2ccc([O-])cc2O[C@H]2CCN(CC#N)C2)cc1 ZINC001226544031 1034726677 /nfs/dbraw/zinc/72/66/77/1034726677.db2.gz GHSNNJOKIVZUKH-SFHVURJKSA-N -1 1 366.417 2.803 20 30 FFEDMM N#CCOc1cccc(CNC(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001221919734 1035156378 /nfs/dbraw/zinc/15/63/78/1035156378.db2.gz CUPCZIVVQCIQSB-UHFFFAOYSA-N -1 1 361.348 2.615 20 30 FFEDMM COC(=O)C1(C#N)CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000834179407 1035328653 /nfs/dbraw/zinc/32/86/53/1035328653.db2.gz QABFUWWYCJHJEJ-UHFFFAOYSA-N -1 1 373.796 2.513 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2coc3c2C(=O)CCC3)cc1 ZINC000835066386 1035503402 /nfs/dbraw/zinc/50/34/02/1035503402.db2.gz ZVHKVLVCGIWOQH-ZDUSSCGKSA-N -1 1 352.346 2.768 20 30 FFEDMM CCOC(=O)[C@@H]1C[C@@H](Oc2ccc([O-])c(C#N)c2C#N)c2ccccc2O1 ZINC001227622228 1035642607 /nfs/dbraw/zinc/64/26/07/1035642607.db2.gz JVVFORMMYQCXIX-MOPGFXCFSA-N -1 1 364.357 2.970 20 30 FFEDMM C=C(C)C(=O)OC[C@H](C)Oc1c(C(=O)c2ccc([O-])cc2)ccc(O)c1O ZINC001228116413 1035943633 /nfs/dbraw/zinc/94/36/33/1035943633.db2.gz ZYXKVPYUYDZGFY-LBPRGKRZSA-N -1 1 372.373 2.921 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c([O-])c2F)C[C@H]1C#N ZINC001232937902 1036173326 /nfs/dbraw/zinc/17/33/26/1036173326.db2.gz WHEQJYTUFZDJJA-GFCCVEGCSA-N -1 1 353.369 2.615 20 30 FFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)c(O[C@H]2CCCOC2=O)c1 ZINC001229208602 1036554782 /nfs/dbraw/zinc/55/47/82/1036554782.db2.gz PHKFECABYWYCRW-QJVAEYLJSA-N -1 1 368.341 2.798 20 30 FFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)c(OC[C@@H]2COCCO2)c1 ZINC001229209885 1036554869 /nfs/dbraw/zinc/55/48/69/1036554869.db2.gz YFHWJXBSVCKNEP-VDIXJHOCSA-N -1 1 370.357 2.508 20 30 FFEDMM CC(C)COC[C@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2ncn(C)c21 ZINC001233384336 1036582018 /nfs/dbraw/zinc/58/20/18/1036582018.db2.gz ROJIDMQFOPFGJU-QGZVFWFLSA-N -1 1 354.454 2.769 20 30 FFEDMM CCC1=C(Oc2cc(C(=O)OC)cc([O-])c2Br)C(=O)[C@@H](C)O1 ZINC001233902386 1036812456 /nfs/dbraw/zinc/81/24/56/1036812456.db2.gz AWMRYTQZIWXCLK-SSDOTTSWSA-N -1 1 371.183 2.930 20 30 FFEDMM CC[C@H](O)C(=O)Oc1cc(/C=C/C(=O)c2ccc([O-])cc2OC)ccc1O ZINC001229693344 1036835252 /nfs/dbraw/zinc/83/52/52/1036835252.db2.gz FZEJLPXAAIQBOY-LWUPOJRFSA-N -1 1 372.373 2.679 20 30 FFEDMM C/C(=N\[O-])c1ccccc1O[C@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC001229741299 1036864248 /nfs/dbraw/zinc/86/42/48/1036864248.db2.gz OAMGVFYTHQJFHD-NFECSFHCSA-N -1 1 350.415 2.900 20 30 FFEDMM O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(O)c(OC[C@H]2CCO2)c1 ZINC001234717477 1037154868 /nfs/dbraw/zinc/15/48/68/1037154868.db2.gz ZAIXAJXZJAQZKG-MYWXAZLQSA-N -1 1 354.358 2.924 20 30 FFEDMM C=C(C)CN1C(=O)COCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001277992088 1038192245 /nfs/dbraw/zinc/19/22/45/1038192245.db2.gz CDTSKJWNUDNECM-UHFFFAOYSA-N -1 1 371.264 2.688 20 30 FFEDMM CCC[C@H](C)CC[C@H](C)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001257476397 1038825234 /nfs/dbraw/zinc/82/52/34/1038825234.db2.gz PXDZILQZJXJTPP-MELADBBJSA-N -1 1 356.469 2.607 20 30 FFEDMM CCC[C@H](C)CC[C@H](C)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001257476397 1038825260 /nfs/dbraw/zinc/82/52/60/1038825260.db2.gz PXDZILQZJXJTPP-MELADBBJSA-N -1 1 356.469 2.607 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cnc(-c2ccccc2)s1 ZINC001251141109 1038964324 /nfs/dbraw/zinc/96/43/24/1038964324.db2.gz PFRORWXJZPROFE-UHFFFAOYSA-N -1 1 369.427 2.689 20 30 FFEDMM CCCCC(CCCC)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001258385419 1039347588 /nfs/dbraw/zinc/34/75/88/1039347588.db2.gz VUHRWPTVZQSBDY-CQSZACIVSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCC(CCCC)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001258385419 1039347599 /nfs/dbraw/zinc/34/75/99/1039347599.db2.gz VUHRWPTVZQSBDY-CQSZACIVSA-N -1 1 356.469 2.751 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1N1CCCC1 ZINC001259125850 1039731631 /nfs/dbraw/zinc/73/16/31/1039731631.db2.gz WBPJJVAILFDDJZ-UHFFFAOYSA-N -1 1 357.435 2.968 20 30 FFEDMM Cc1c(Br)nccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412918 1039984606 /nfs/dbraw/zinc/98/46/06/1039984606.db2.gz LVRWSUCFFAMJDJ-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM C=CCS(=O)(=O)[N-]c1cc(Cc2ccc(F)cc2)cnc1C(=O)OC ZINC001259923339 1040299280 /nfs/dbraw/zinc/29/92/80/1040299280.db2.gz FAOPXOGIQNOGHO-UHFFFAOYSA-N -1 1 364.398 2.526 20 30 FFEDMM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC001260289180 1040514285 /nfs/dbraw/zinc/51/42/85/1040514285.db2.gz NLKARPZSADCIMA-UHFFFAOYSA-N -1 1 372.780 2.847 20 30 FFEDMM CC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260332344 1040541301 /nfs/dbraw/zinc/54/13/01/1040541301.db2.gz UWDBFGWKGYUHNB-NSHDSACASA-N -1 1 353.188 2.698 20 30 FFEDMM C=C(C)c1ccccc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001260605331 1040669767 /nfs/dbraw/zinc/66/97/67/1040669767.db2.gz AYOQQIJQMRHURQ-UHFFFAOYSA-N -1 1 351.449 2.924 20 30 FFEDMM C#CCN1CCC([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC001213772657 1040889411 /nfs/dbraw/zinc/88/94/11/1040889411.db2.gz AKJAAKHYLJJAKT-UHFFFAOYSA-N -1 1 368.911 2.931 20 30 FFEDMM COCc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC001263313995 1042236264 /nfs/dbraw/zinc/23/62/64/1042236264.db2.gz BOKSHRBNDWBRHY-JTQLQIEISA-N -1 1 359.336 2.801 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H](OCCC)CC1 ZINC001263322467 1042240356 /nfs/dbraw/zinc/24/03/56/1042240356.db2.gz OQBUOOWYMDJPCE-AWEZNQCLSA-N -1 1 360.462 2.735 20 30 FFEDMM C#CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)c(F)c([O-])c(F)c1F ZINC001279238465 1042960877 /nfs/dbraw/zinc/96/08/77/1042960877.db2.gz ATYQVECENDYTOA-PHIMTYICSA-N -1 1 370.346 2.651 20 30 FFEDMM C=CCOC(=O)N1CCN(Cc2c(Br)ccc([O-])c2F)CC1 ZINC001238312767 1043646837 /nfs/dbraw/zinc/64/68/37/1043646837.db2.gz KPIKOOXEMZFAST-UHFFFAOYSA-N -1 1 373.222 2.734 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC001319038629 1044998888 /nfs/dbraw/zinc/99/88/88/1044998888.db2.gz SEQRPVRPSGFJIW-UHFFFAOYSA-N -1 1 355.419 2.902 20 30 FFEDMM C[C@H]1CCc2sc(C(=O)N=C3[N-]S(=O)(=O)c4ccccc43)cc2C1 ZINC001317899571 1045165218 /nfs/dbraw/zinc/16/52/18/1045165218.db2.gz XXRVCNNWGXDWIF-JTQLQIEISA-N -1 1 360.460 2.752 20 30 FFEDMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001321279035 1045611541 /nfs/dbraw/zinc/61/15/41/1045611541.db2.gz WQKPMKCRVYEHMJ-UHFFFAOYSA-N -1 1 372.450 2.955 20 30 FFEDMM Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001325049864 1046353082 /nfs/dbraw/zinc/35/30/82/1046353082.db2.gz BEIYANLQGZPGEA-UHFFFAOYSA-N -1 1 371.462 2.699 20 30 FFEDMM C=C(Cl)C[C@@H](N)C(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001331692269 1048064243 /nfs/dbraw/zinc/06/42/43/1048064243.db2.gz LYZCGTYGSBSQAK-SNVBAGLBSA-N -1 1 354.863 2.605 20 30 FFEDMM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nn[n-]n1 ZINC001293125809 1049489062 /nfs/dbraw/zinc/48/90/62/1049489062.db2.gz ZDLULEOPPJIHHW-UHFFFAOYSA-N -1 1 364.384 2.685 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(CCF)CC1 ZINC001341755813 1050373078 /nfs/dbraw/zinc/37/30/78/1050373078.db2.gz KSVNSDHNPWYABQ-UHFFFAOYSA-N -1 1 353.833 2.869 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001340594944 1050980986 /nfs/dbraw/zinc/98/09/86/1050980986.db2.gz WHCZUHCUQZQWBL-SECBINFHSA-N -1 1 364.866 2.599 20 30 FFEDMM C=CCCCCCN(C)c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCOC1 ZINC001345434998 1052445230 /nfs/dbraw/zinc/44/52/30/1052445230.db2.gz PCXRWYBTQGUTSC-AWEZNQCLSA-N -1 1 360.462 2.593 20 30 FFEDMM C=CCCCN(CC)c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCCCO1 ZINC001349528332 1055320652 /nfs/dbraw/zinc/32/06/52/1055320652.db2.gz SDBRMIQCXFMTSH-AWEZNQCLSA-N -1 1 360.462 2.735 20 30 FFEDMM Cn1c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nnc1C(C)(C)CC#N ZINC001338247649 1055355902 /nfs/dbraw/zinc/35/59/02/1055355902.db2.gz NSBFUKOWVBFQEK-UHFFFAOYSA-N -1 1 367.453 2.811 20 30 FFEDMM Cc1c(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)ccc2cncn21 ZINC001514692347 1059057596 /nfs/dbraw/zinc/05/75/96/1059057596.db2.gz LJSIYENXKXMGHN-OAHLLOKOSA-N -1 1 368.343 2.560 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1c1c(C)cccc1C ZINC001520336122 1059619653 /nfs/dbraw/zinc/61/96/53/1059619653.db2.gz BBCUKCOSERZHSC-OAHLLOKOSA-N -1 1 364.457 2.526 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1c1c(C)cccc1C ZINC001520336122 1059619659 /nfs/dbraw/zinc/61/96/59/1059619659.db2.gz BBCUKCOSERZHSC-OAHLLOKOSA-N -1 1 364.457 2.526 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001520596501 1059853904 /nfs/dbraw/zinc/85/39/04/1059853904.db2.gz PAUMAYZAVPNHRP-ZDUSSCGKSA-N -1 1 355.780 2.528 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001515915532 1059888938 /nfs/dbraw/zinc/88/89/38/1059888938.db2.gz UNYLWGDFQBEUDO-STQMWFEESA-N -1 1 354.458 2.986 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(C=C)CC1 ZINC001355899597 1060707571 /nfs/dbraw/zinc/70/75/71/1060707571.db2.gz ADTBWSHUTOTNFD-UHFFFAOYSA-N -1 1 352.442 2.907 20 30 FFEDMM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC001475489153 1061112126 /nfs/dbraw/zinc/11/21/26/1061112126.db2.gz NESDRNHGZDONGK-WDEREUQCSA-N -1 1 351.394 2.852 20 30 FFEDMM N#Cc1cc(F)ccc1CS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001475774792 1061266238 /nfs/dbraw/zinc/26/62/38/1061266238.db2.gz QRCPCEDHFKGWBW-UHFFFAOYSA-N -1 1 354.790 2.676 20 30 FFEDMM COCCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC[C@@H](C#N)C1 ZINC001523581722 1062527111 /nfs/dbraw/zinc/52/71/11/1062527111.db2.gz SVBOZVMHOZEPNC-LBPRGKRZSA-N -1 1 361.833 2.690 20 30 FFEDMM COc1c(Cl)cccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001464687189 1062762979 /nfs/dbraw/zinc/76/29/79/1062762979.db2.gz NTHNLLQZVDOKNS-UHFFFAOYSA-N -1 1 372.780 2.977 20 30 FFEDMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)[n-]1 ZINC001439227423 1063119927 /nfs/dbraw/zinc/11/99/27/1063119927.db2.gz UAFZQLHXAZXMQU-UHFFFAOYSA-N -1 1 351.362 2.811 20 30 FFEDMM COc1cnc(C2(NC(=O)c3cc(C#N)ccc3C)CCCC2)[n-]c1=O ZINC001472112827 1064941609 /nfs/dbraw/zinc/94/16/09/1064941609.db2.gz XDFJKQXWEFEUDE-UHFFFAOYSA-N -1 1 352.394 2.570 20 30 FFEDMM COc1cc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)sn1 ZINC001561601089 1076397185 /nfs/dbraw/zinc/39/71/85/1076397185.db2.gz CYEHIEXPUVYSFR-CYBMUJFWSA-N -1 1 351.453 2.865 20 30 FFEDMM COc1cnc(C(C)(C)NC(=O)Nc2ccc(C3CC3)c(C#N)c2)[n-]c1=O ZINC001563227710 1076531001 /nfs/dbraw/zinc/53/10/01/1076531001.db2.gz DEQCWJQZUOPOIL-UHFFFAOYSA-N -1 1 367.409 2.997 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001565899862 1076788514 /nfs/dbraw/zinc/78/85/14/1076788514.db2.gz SBOBCIXCBFDMEM-HOTGVXAUSA-N -1 1 363.446 2.930 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c([O-])c1 ZINC001567084522 1076999742 /nfs/dbraw/zinc/99/97/42/1076999742.db2.gz NVRHYLITWPQJRB-YHYXMXQVSA-N -1 1 357.337 2.929 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCc2cc(C#N)ccc21 ZINC001570258295 1077193877 /nfs/dbraw/zinc/19/38/77/1077193877.db2.gz MRGQYJXIHZBCDO-UHFFFAOYSA-N -1 1 371.400 2.556 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCC(C)(C(=O)[O-])CC2)c1C ZINC001574398374 1077978468 /nfs/dbraw/zinc/97/84/68/1077978468.db2.gz KYYKGLHKRZVOLS-UHFFFAOYSA-N -1 1 357.454 2.737 20 30 FFEDMM C#C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Br)cc1 ZINC001588328698 1079985609 /nfs/dbraw/zinc/98/56/09/1079985609.db2.gz NWKQDRQXUJCNSL-LBPRGKRZSA-N -1 1 355.199 2.811 20 30 FFEDMM C#C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Br)cc1 ZINC001588328698 1079985614 /nfs/dbraw/zinc/98/56/14/1079985614.db2.gz NWKQDRQXUJCNSL-LBPRGKRZSA-N -1 1 355.199 2.811 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001588400778 1080010991 /nfs/dbraw/zinc/01/09/91/1080010991.db2.gz FUZKKRGHZNKKFO-ZANVPECISA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001588400778 1080011001 /nfs/dbraw/zinc/01/10/01/1080011001.db2.gz FUZKKRGHZNKKFO-ZANVPECISA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)CCC(=O)N(C)[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588409430 1080012611 /nfs/dbraw/zinc/01/26/11/1080012611.db2.gz CTZLFRAGLZPKOY-SECBINFHSA-N -1 1 369.882 2.592 20 30 FFEDMM C=C(C)CCC(=O)N(C)[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588409430 1080012624 /nfs/dbraw/zinc/01/26/24/1080012624.db2.gz CTZLFRAGLZPKOY-SECBINFHSA-N -1 1 369.882 2.592 20 30 FFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001588431009 1080024960 /nfs/dbraw/zinc/02/49/60/1080024960.db2.gz VPYTVPQSGLNVHU-UHFFFAOYSA-N -1 1 369.429 2.764 20 30 FFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001588431009 1080024968 /nfs/dbraw/zinc/02/49/68/1080024968.db2.gz VPYTVPQSGLNVHU-UHFFFAOYSA-N -1 1 369.429 2.764 20 30 FFEDMM C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])n[nH]2)c1C ZINC001588475325 1080041460 /nfs/dbraw/zinc/04/14/60/1080041460.db2.gz XZLWOEHHXRGARY-CQSZACIVSA-N -1 1 371.441 2.545 20 30 FFEDMM C=C[C@H](OC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC001588525097 1080076137 /nfs/dbraw/zinc/07/61/37/1080076137.db2.gz BWRNPWLNZPJPFU-ZDUSSCGKSA-N -1 1 374.445 2.523 20 30 FFEDMM C=CCC(C)(C)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588539310 1080086555 /nfs/dbraw/zinc/08/65/55/1080086555.db2.gz GKJPHANGPTXQSX-UHFFFAOYSA-N -1 1 359.430 2.662 20 30 FFEDMM C=CCC[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001588579802 1080107388 /nfs/dbraw/zinc/10/73/88/1080107388.db2.gz SWVOHGXQKZKQKX-HNNXBMFYSA-N -1 1 364.409 2.713 20 30 FFEDMM C=C[C@@H](C(=O)[O-])N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001588664659 1080146968 /nfs/dbraw/zinc/14/69/68/1080146968.db2.gz STPMDCPUBJUAPL-XVMARJQXSA-N -1 1 353.209 2.728 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001588705635 1080163198 /nfs/dbraw/zinc/16/31/98/1080163198.db2.gz ZFIODCQCWSQSSO-TZMCWYRMSA-N -1 1 366.429 2.673 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001588705635 1080163203 /nfs/dbraw/zinc/16/32/03/1080163203.db2.gz ZFIODCQCWSQSSO-TZMCWYRMSA-N -1 1 366.429 2.673 20 30 FFEDMM C=CCCC[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)C(=O)[O-] ZINC001588792528 1080197929 /nfs/dbraw/zinc/19/79/29/1080197929.db2.gz JQFIXFMLUQIKTP-NSHDSACASA-N -1 1 366.215 2.865 20 30 FFEDMM C[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@H](c2ccccc2)C1 ZINC001590209951 1081094705 /nfs/dbraw/zinc/09/47/05/1081094705.db2.gz QWAZSVJYZICBKP-NWANDNLSSA-N -1 1 360.425 2.913 20 30 FFEDMM N#Cc1cc(Br)ccc1CN[C@H](Cc1cncs1)C(=O)[O-] ZINC001601084490 1126221686 /nfs/dbraw/zinc/22/16/86/1126221686.db2.gz GOVWEMSUNFZREL-CYBMUJFWSA-N -1 1 366.240 2.563 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ncc(-c2ccccc2)o1 ZINC000372988484 512120500 /nfs/dbraw/zinc/12/05/00/512120500.db2.gz BJCVCNCFFUYMGN-GFCCVEGCSA-N -1 1 354.391 2.648 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nc(C(C)(C)C)cs1 ZINC000331164807 258178896 /nfs/dbraw/zinc/17/88/96/258178896.db2.gz NBLSBIZCCORRBG-JTQLQIEISA-N -1 1 350.469 2.747 20 30 FFEDMM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000032088970 506229162 /nfs/dbraw/zinc/22/91/62/506229162.db2.gz BWIICFXHPDDANO-UHFFFAOYSA-N -1 1 371.462 2.770 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000066855972 506670563 /nfs/dbraw/zinc/67/05/63/506670563.db2.gz HIQYAXGKOZSZDQ-SNVBAGLBSA-N -1 1 365.436 2.574 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000055650837 506814457 /nfs/dbraw/zinc/81/44/57/506814457.db2.gz IYQNKDYKRCBXOX-UHFFFAOYSA-N -1 1 369.446 2.985 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000057124054 507177649 /nfs/dbraw/zinc/17/76/49/507177649.db2.gz LBSSBTLIKSGXNQ-UHFFFAOYSA-N -1 1 360.435 2.754 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)N(C)C)c1 ZINC000084461540 508280732 /nfs/dbraw/zinc/28/07/32/508280732.db2.gz OMJJPDDNTZVDSD-UHFFFAOYSA-N -1 1 361.398 2.508 20 30 FFEDMM N#CCc1ccc(NC(=O)CSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000117112403 508579081 /nfs/dbraw/zinc/57/90/81/508579081.db2.gz YUSDCIKCNBWKQF-UHFFFAOYSA-N -1 1 350.407 2.664 20 30 FFEDMM N#Cc1ccc(N2CCC[C@H](NC(=O)c3c([O-])cccc3F)C2)c(F)c1 ZINC000123904724 508755433 /nfs/dbraw/zinc/75/54/33/508755433.db2.gz INCXQQIHQSCBLT-ZDUSSCGKSA-N -1 1 357.360 2.941 20 30 FFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)C#N)cc1 ZINC000125570703 509001153 /nfs/dbraw/zinc/00/11/53/509001153.db2.gz WBPUXAUVJHMQIN-LBPRGKRZSA-N -1 1 361.398 2.577 20 30 FFEDMM COc1ccc(C[C@H](C)CNC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000189070225 509396717 /nfs/dbraw/zinc/39/67/17/509396717.db2.gz KJKLODKAZWUISD-ZDUSSCGKSA-N -1 1 354.406 2.890 20 30 FFEDMM CCN(C[C@H](C)C#N)C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163884627 509437242 /nfs/dbraw/zinc/43/72/42/509437242.db2.gz CYRYPNSMDVDPNC-CYBMUJFWSA-N -1 1 370.478 2.846 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cccnc2OCC(F)(F)F)cc1[O-] ZINC000190369878 510091248 /nfs/dbraw/zinc/09/12/48/510091248.db2.gz QMUUEJDQMXJWLD-UHFFFAOYSA-N -1 1 351.284 2.530 20 30 FFEDMM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000184039422 510100364 /nfs/dbraw/zinc/10/03/64/510100364.db2.gz ZKNOARHUMMITQR-ZDUSSCGKSA-N -1 1 358.419 2.711 20 30 FFEDMM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000184039441 510100435 /nfs/dbraw/zinc/10/04/35/510100435.db2.gz ZKNOARHUMMITQR-CYBMUJFWSA-N -1 1 358.419 2.711 20 30 FFEDMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000174740950 510284821 /nfs/dbraw/zinc/28/48/21/510284821.db2.gz HHIQCLQYLFFGSQ-NRFANRHFSA-N -1 1 354.840 2.750 20 30 FFEDMM N#Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c[nH]1 ZINC000181396378 510390184 /nfs/dbraw/zinc/39/01/84/510390184.db2.gz NNIUZVIWNISFMF-LBPRGKRZSA-N -1 1 363.402 2.553 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(F)c1 ZINC000184869549 510555592 /nfs/dbraw/zinc/55/55/92/510555592.db2.gz VEAPMJGLYFFMOI-UHFFFAOYSA-N -1 1 372.337 2.955 20 30 FFEDMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188558129 510824605 /nfs/dbraw/zinc/82/46/05/510824605.db2.gz GXVKSDVSXGPKKI-UHFFFAOYSA-N -1 1 351.406 2.982 20 30 FFEDMM O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1csc(=NC2CC2)[n-]1 ZINC000330301201 510960519 /nfs/dbraw/zinc/96/05/19/510960519.db2.gz IXKCQIPBGSAAJL-CQSZACIVSA-N -1 1 362.499 2.625 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000277572547 510966103 /nfs/dbraw/zinc/96/61/03/510966103.db2.gz QTCSLVLWOUSNSB-OAHLLOKOSA-N -1 1 355.442 2.525 20 30 FFEDMM N#CC1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CC1 ZINC000271254742 511139788 /nfs/dbraw/zinc/13/97/88/511139788.db2.gz JRCYIORTDJRBOE-UHFFFAOYSA-N -1 1 371.315 2.879 20 30 FFEDMM CCOC(=O)C(=C([O-])CSc1ccc(C#N)cn1)c1nc(C)cs1 ZINC000298324937 511246209 /nfs/dbraw/zinc/24/62/09/511246209.db2.gz WKKRKEALAJPCKL-AWEZNQCLSA-N -1 1 361.448 2.726 20 30 FFEDMM N#Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1F ZINC000324055076 511832833 /nfs/dbraw/zinc/83/28/33/511832833.db2.gz VIFQRFIDKZAEHK-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)ccc1O ZINC000324677646 511838984 /nfs/dbraw/zinc/83/89/84/511838984.db2.gz IVZKPCPWNZDFQM-UHFFFAOYSA-N -1 1 366.782 2.505 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)Cc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000350833044 511890121 /nfs/dbraw/zinc/89/01/21/511890121.db2.gz IJXTVOCKXKQQSO-UHFFFAOYSA-N -1 1 373.365 2.568 20 30 FFEDMM CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000376359078 512785010 /nfs/dbraw/zinc/78/50/10/512785010.db2.gz MAOPHLYYKMQIQN-MLGOLLRUSA-N -1 1 365.480 2.574 20 30 FFEDMM Cc1cc(N=C([O-])Nc2nnc(C=Cc3ccco3)s2)nn1CCC#N ZINC000446328811 513237188 /nfs/dbraw/zinc/23/71/88/513237188.db2.gz CUPJXMPSZNQNHL-WAYWQWQTSA-N -1 1 369.410 2.786 20 30 FFEDMM O=c1[n-]nc([C@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)o1 ZINC000450894144 513387306 /nfs/dbraw/zinc/38/73/06/513387306.db2.gz FHGAWYUYCGBZLP-ZDUSSCGKSA-N -1 1 367.327 2.905 20 30 FFEDMM C=C(C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000435438836 513588307 /nfs/dbraw/zinc/58/83/07/513588307.db2.gz RTXPZVTTXUXMTF-LBPRGKRZSA-N -1 1 352.239 2.703 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000435592579 513627673 /nfs/dbraw/zinc/62/76/73/513627673.db2.gz LYELUSMCBZBBSN-ZWNOBZJWSA-N -1 1 360.819 2.508 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435753361 513677290 /nfs/dbraw/zinc/67/72/90/513677290.db2.gz QVVYPGHRHUMGKQ-UHFFFAOYSA-N -1 1 370.434 2.975 20 30 FFEDMM C[C@H]1C[C@]1(C#N)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000448869023 513941679 /nfs/dbraw/zinc/94/16/79/513941679.db2.gz MOOFQSLOHQBAQQ-IFXJQAMLSA-N -1 1 369.446 2.653 20 30 FFEDMM N#Cc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436912375 514029441 /nfs/dbraw/zinc/02/94/41/514029441.db2.gz CJEJUGBLUXVAAJ-UHFFFAOYSA-N -1 1 369.768 2.720 20 30 FFEDMM N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436912375 514029448 /nfs/dbraw/zinc/02/94/48/514029448.db2.gz CJEJUGBLUXVAAJ-UHFFFAOYSA-N -1 1 369.768 2.720 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427200266 514148788 /nfs/dbraw/zinc/14/87/88/514148788.db2.gz YWYUKCLXWJLFQV-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1F ZINC000427339100 514188057 /nfs/dbraw/zinc/18/80/57/514188057.db2.gz SRKWUPJLWOQLJM-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c(Cl)c1 ZINC000479485906 514602176 /nfs/dbraw/zinc/60/21/76/514602176.db2.gz BKNDJPFGOJJPNJ-UHFFFAOYSA-N -1 1 364.736 2.771 20 30 FFEDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc2[nH]1 ZINC000475806558 514816833 /nfs/dbraw/zinc/81/68/33/514816833.db2.gz CDVFKDKCIPTHEJ-UHFFFAOYSA-N -1 1 367.430 2.957 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000485039739 514886113 /nfs/dbraw/zinc/88/61/13/514886113.db2.gz JNXCDRUZWVADDZ-UHFFFAOYSA-N -1 1 372.189 2.759 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc(Cl)c1F ZINC000480227772 514889704 /nfs/dbraw/zinc/88/97/04/514889704.db2.gz NEIGEVWGJVNCQX-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM C=CCC1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CCC1 ZINC000480602208 515016419 /nfs/dbraw/zinc/01/64/19/515016419.db2.gz ARLMXMKTIXIQPR-UHFFFAOYSA-N -1 1 350.440 2.518 20 30 FFEDMM Cc1c(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cccc1[N+](=O)[O-] ZINC000480880276 515122906 /nfs/dbraw/zinc/12/29/06/515122906.db2.gz PGWXEKVEGRBSFE-UHFFFAOYSA-N -1 1 367.333 2.532 20 30 FFEDMM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000477478541 515471879 /nfs/dbraw/zinc/47/18/79/515471879.db2.gz SWTSUOWLTUFOMU-OAHLLOKOSA-N -1 1 364.467 2.683 20 30 FFEDMM N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1OCC(F)(F)F ZINC000481924021 515515080 /nfs/dbraw/zinc/51/50/80/515515080.db2.gz UIUNEMMUUOPOHI-UHFFFAOYSA-N -1 1 354.244 2.988 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(Cl)c1 ZINC000486538545 515528519 /nfs/dbraw/zinc/52/85/19/515528519.db2.gz ZYMWVKGRJFQMSZ-UHFFFAOYSA-N -1 1 362.754 2.792 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000468854129 515552157 /nfs/dbraw/zinc/55/21/57/515552157.db2.gz GFPPOPBKOQPIFI-UHFFFAOYSA-N -1 1 368.418 2.632 20 30 FFEDMM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000473681240 515714806 /nfs/dbraw/zinc/71/48/06/515714806.db2.gz XAUBJDFYDTZPGT-MRXNPFEDSA-N -1 1 357.373 2.975 20 30 FFEDMM C=C[C@](C)(O)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469513686 515847406 /nfs/dbraw/zinc/84/74/06/515847406.db2.gz LBQURFWZEJGGCU-SFHVURJKSA-N -1 1 360.435 2.753 20 30 FFEDMM C=C[C@@](C)(O)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469513685 515848167 /nfs/dbraw/zinc/84/81/67/515848167.db2.gz LBQURFWZEJGGCU-GOSISDBHSA-N -1 1 360.435 2.753 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000478810440 515971879 /nfs/dbraw/zinc/97/18/79/515971879.db2.gz DNCKNEKSWDGSFD-AWEZNQCLSA-N -1 1 373.434 2.528 20 30 FFEDMM CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@@H+]1CCc2ccccc2C1 ZINC000561476376 516606268 /nfs/dbraw/zinc/60/62/68/516606268.db2.gz CIPNZLFGXKFPPN-GOSISDBHSA-N -1 1 373.478 2.512 20 30 FFEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1cc(F)cc(F)c1 ZINC000561545145 516645283 /nfs/dbraw/zinc/64/52/83/516645283.db2.gz NEZSRURXKDEAEI-UHFFFAOYSA-N -1 1 356.350 2.565 20 30 FFEDMM N#Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1[O-] ZINC000562219127 516962530 /nfs/dbraw/zinc/96/25/30/516962530.db2.gz YZTVVNWGGIWXJG-UHFFFAOYSA-N -1 1 350.334 2.626 20 30 FFEDMM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000537018501 517004470 /nfs/dbraw/zinc/00/44/70/517004470.db2.gz DSUMJTXKPWNFGZ-SSDOTTSWSA-N -1 1 374.709 2.627 20 30 FFEDMM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000537020188 517006852 /nfs/dbraw/zinc/00/68/52/517006852.db2.gz LUJCUIUEMQJACC-SECBINFHSA-N -1 1 357.781 2.822 20 30 FFEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000559141425 517096398 /nfs/dbraw/zinc/09/63/98/517096398.db2.gz XJWGOIFEIVRYPJ-SNVBAGLBSA-N -1 1 365.333 2.736 20 30 FFEDMM C[C@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553456119 517722226 /nfs/dbraw/zinc/72/22/26/517722226.db2.gz IIBRTSMTURKHMQ-SNVBAGLBSA-N -1 1 369.240 2.823 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(Br)c2)o1 ZINC000553480539 517737077 /nfs/dbraw/zinc/73/70/77/517737077.db2.gz XUGSHHHMAUSHHM-STQMWFEESA-N -1 1 367.224 2.748 20 30 FFEDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)n[nH]1 ZINC000582698532 518875931 /nfs/dbraw/zinc/87/59/31/518875931.db2.gz OVOJBRGITWCDRB-UHFFFAOYSA-N -1 1 367.434 2.571 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)c1 ZINC000589168491 518938412 /nfs/dbraw/zinc/93/84/12/518938412.db2.gz QPJIFJDVLKCJNY-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM Cc1cccc(C(=O)N2CCCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000589168347 518938905 /nfs/dbraw/zinc/93/89/05/518938905.db2.gz QJFMFCRIVOZWDX-UHFFFAOYSA-N -1 1 363.417 2.561 20 30 FFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000589180130 518942809 /nfs/dbraw/zinc/94/28/09/518942809.db2.gz KSYJTGLLBDSCHN-KRWDZBQOSA-N -1 1 369.808 2.795 20 30 FFEDMM COC(=O)COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000589191406 518946585 /nfs/dbraw/zinc/94/65/85/518946585.db2.gz WKRVUHNJBVYQKJ-UHFFFAOYSA-N -1 1 360.753 2.721 20 30 FFEDMM N#C[C@]1(F)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000589492496 519016922 /nfs/dbraw/zinc/01/69/22/519016922.db2.gz RHGZPTDJDXQYIQ-OAHLLOKOSA-N -1 1 364.174 2.781 20 30 FFEDMM N#CC(=C([O-])c1cc[nH]c1C1CCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000568634994 519140982 /nfs/dbraw/zinc/14/09/82/519140982.db2.gz NAOVWNJUZSHBFR-OAHLLOKOSA-N -1 1 373.420 2.535 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(C#N)C3)cc2)c1 ZINC000590485803 519246184 /nfs/dbraw/zinc/24/61/84/519246184.db2.gz UVKLKTAYMCAAAA-UHFFFAOYSA-N -1 1 369.446 2.700 20 30 FFEDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cc(C)cc(C#N)c3)ccc21 ZINC000590745448 519344327 /nfs/dbraw/zinc/34/43/27/519344327.db2.gz XEVUXMAKFOUUSC-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000581271528 519608375 /nfs/dbraw/zinc/60/83/75/519608375.db2.gz CZXRADQYMANYFU-KSSFIOAISA-N -1 1 373.453 2.639 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cc1Cl ZINC000608909097 520161666 /nfs/dbraw/zinc/16/16/66/520161666.db2.gz RWBMOOAKXFUAAH-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)c(Br)c1)C(C)C ZINC000592384290 520361532 /nfs/dbraw/zinc/36/15/32/520361532.db2.gz OITIFKOJGFOGGS-CYBMUJFWSA-N -1 1 361.261 2.733 20 30 FFEDMM CO[C@@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)COCc1ccccc1 ZINC000597990581 520364401 /nfs/dbraw/zinc/36/44/01/520364401.db2.gz ADTYNQZHCWGTHO-FQEVSTJZSA-N -1 1 354.406 2.616 20 30 FFEDMM CC(C)(C)OC(=O)CCN(C(=O)c1cc([O-])cc(C#N)c1)C1CCOCC1 ZINC000592815378 520598167 /nfs/dbraw/zinc/59/81/67/520598167.db2.gz DIQDLSLOZOFIQY-UHFFFAOYSA-N -1 1 374.437 2.617 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])cn1 ZINC000610490746 520713620 /nfs/dbraw/zinc/71/36/20/520713620.db2.gz IAXCIIBCUXMCAA-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM Cc1nccn1-c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1F ZINC000614298153 520896999 /nfs/dbraw/zinc/89/69/99/520896999.db2.gz NRHJMCQOVFQFJF-UHFFFAOYSA-N -1 1 350.353 2.827 20 30 FFEDMM COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc([O-])cc(C#N)c3)n2)c1 ZINC000614300632 520898251 /nfs/dbraw/zinc/89/82/51/520898251.db2.gz NLUDXWGDSGWCMM-LLVKDONJSA-N -1 1 364.361 2.813 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1(C#N)CCCC1 ZINC000593778597 521208857 /nfs/dbraw/zinc/20/88/57/521208857.db2.gz ZSLQGRVQXSLWPR-UHFFFAOYSA-N -1 1 365.437 2.685 20 30 FFEDMM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000612173491 521519447 /nfs/dbraw/zinc/51/94/47/521519447.db2.gz WBBSBZPNIIXYMV-AWEZNQCLSA-N -1 1 368.336 2.529 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1Cl ZINC000619461717 521579294 /nfs/dbraw/zinc/57/92/94/521579294.db2.gz VFWWXLMURACHCH-UHFFFAOYSA-N -1 1 364.810 2.993 20 30 FFEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462476 521581156 /nfs/dbraw/zinc/58/11/56/521581156.db2.gz YWZVNRLZCAFWMJ-UHFFFAOYSA-N -1 1 358.423 2.695 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1nc(C2CC2)no1 ZINC000619481626 521591888 /nfs/dbraw/zinc/59/18/88/521591888.db2.gz PCTBVEZBQXNNFK-HNNXBMFYSA-N -1 1 360.439 2.689 20 30 FFEDMM N#CC(=C([O-])c1cn2c(n1)COCC2)c1nc2ccccc2n1C(F)F ZINC000626300011 522089604 /nfs/dbraw/zinc/08/96/04/522089604.db2.gz JGVGIRHTSGFZIE-SNVBAGLBSA-N -1 1 357.320 2.648 20 30 FFEDMM CN1C(=O)COc2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc21 ZINC000626467355 522212030 /nfs/dbraw/zinc/21/20/30/522212030.db2.gz PGWCDGWELMQMEK-LBPRGKRZSA-N -1 1 353.403 2.866 20 30 FFEDMM C=CCC[C@H](C(=O)Nc1nc2nc(CC)cc(=O)n2[n-]1)c1ccccc1 ZINC000622993593 523602045 /nfs/dbraw/zinc/60/20/45/523602045.db2.gz UAEPCZCXOFQVQQ-HNNXBMFYSA-N -1 1 351.410 2.669 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000735436029 598948371 /nfs/dbraw/zinc/94/83/71/598948371.db2.gz CRCKKIBTNNVGFY-UHFFFAOYSA-N -1 1 371.422 2.541 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3cc(F)ccc32)o1 ZINC000735851554 598977407 /nfs/dbraw/zinc/97/74/07/598977407.db2.gz ZMFQDJWXSCHQGW-UHFFFAOYSA-N -1 1 355.377 2.955 20 30 FFEDMM N#CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000737694963 599217700 /nfs/dbraw/zinc/21/77/00/599217700.db2.gz HKWUIWJPHFNISG-UHFFFAOYSA-N -1 1 355.741 2.993 20 30 FFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000819847730 597659991 /nfs/dbraw/zinc/65/99/91/597659991.db2.gz OLCNPXVPYUEMKQ-GFCCVEGCSA-N -1 1 361.579 2.751 20 30 FFEDMM CN=c1scc(-c2cccc(F)c2)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000736868392 599324148 /nfs/dbraw/zinc/32/41/48/599324148.db2.gz QQAVNNXFKAYVQV-UHFFFAOYSA-N -1 1 369.385 2.542 20 30 FFEDMM CN=c1scc(-c2cccc(F)c2)n1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000736868392 599324150 /nfs/dbraw/zinc/32/41/50/599324150.db2.gz QQAVNNXFKAYVQV-UHFFFAOYSA-N -1 1 369.385 2.542 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3c(O)cccc32)o1 ZINC000820197239 599336852 /nfs/dbraw/zinc/33/68/52/599336852.db2.gz HVJMCAIARULEMU-UHFFFAOYSA-N -1 1 353.386 2.836 20 30 FFEDMM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000739066795 599783096 /nfs/dbraw/zinc/78/30/96/599783096.db2.gz QUMWZLUINYMVPV-HNAYVOBHSA-N -1 1 372.384 2.639 20 30 FFEDMM C=C1CCN(CCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])CC1 ZINC000736097759 599856500 /nfs/dbraw/zinc/85/65/00/599856500.db2.gz QTXRWTQKPLXQTR-UHFFFAOYSA-N -1 1 366.439 2.522 20 30 FFEDMM C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661763 600521562 /nfs/dbraw/zinc/52/15/62/600521562.db2.gz IKLKXRSLUQCTKW-KBPBESRZSA-N -1 1 351.406 2.612 20 30 FFEDMM N#Cc1ccc([C@@H](Nc2ccc(CCN3CCOCC3)cc2)C(=O)[O-])cc1 ZINC000739110059 600596488 /nfs/dbraw/zinc/59/64/88/600596488.db2.gz OIIZVHYMYLYFHU-HXUWFJFHSA-N -1 1 365.433 2.671 20 30 FFEDMM N#Cc1cccc([C@H](NCc2ccc(OCC(F)(F)F)nc2)C(=O)[O-])c1 ZINC000833076538 601301240 /nfs/dbraw/zinc/30/12/40/601301240.db2.gz WPJADGUBTVFRKW-HNNXBMFYSA-N -1 1 365.311 2.810 20 30 FFEDMM CN(Cc1cc(Br)cn1C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830806313 602248469 /nfs/dbraw/zinc/24/84/69/602248469.db2.gz LDBVLSBAPLPQAC-OAHLLOKOSA-N -1 1 362.227 2.917 20 30 FFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823473573 604227090 /nfs/dbraw/zinc/22/70/90/604227090.db2.gz GLBBQKAECOACFB-OAHLLOKOSA-N -1 1 351.491 2.654 20 30 FFEDMM N#Cc1ccc2ncc(CN3CCC[C@@H]([C@H]4CCCN4C(=O)[O-])C3)n2c1 ZINC000833975957 605466837 /nfs/dbraw/zinc/46/68/37/605466837.db2.gz AFOZSMRCFQRTPL-NVXWUHKLSA-N -1 1 353.426 2.560 20 30 FFEDMM N#Cc1ccc2ncc(CN3CCC([C@@H]4CCCN4C(=O)[O-])CC3)n2c1 ZINC000833977108 605494798 /nfs/dbraw/zinc/49/47/98/605494798.db2.gz ODHFHQUFEMRZEO-KRWDZBQOSA-N -1 1 353.426 2.560 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833402327 605598007 /nfs/dbraw/zinc/59/80/07/605598007.db2.gz JCGBWRIKWSMQKJ-BIRHUZIMSA-N -1 1 372.402 2.876 20 30 FFEDMM N#C[C@@H](C(=O)[C@H](CC(F)F)NC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000833961820 606085117 /nfs/dbraw/zinc/08/51/17/606085117.db2.gz XMBJBKAQDAJENM-CBAPKCEASA-N -1 1 372.278 2.899 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOCC2)cc1 ZINC000822923182 606388247 /nfs/dbraw/zinc/38/82/47/606388247.db2.gz NTBIWTRGWMCDRC-FNORWQNLSA-N -1 1 367.434 2.661 20 30 FFEDMM C=CCNC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819750594 606418975 /nfs/dbraw/zinc/41/89/75/606418975.db2.gz GTNBWWYKGKVONJ-UHFFFAOYSA-N -1 1 355.427 2.848 20 30 FFEDMM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826403375 608094167 /nfs/dbraw/zinc/09/41/67/608094167.db2.gz QIGTYXFLIUHQBR-DAFODLJHSA-N -1 1 354.317 2.583 20 30 FFEDMM Cc1cc(C)n(N=C[C@H](C)c2cccc(Cl)c2)c(=O)c1-c1nn[n-]n1 ZINC000826265063 608110429 /nfs/dbraw/zinc/11/04/29/608110429.db2.gz KXENMROQAARKEC-NSHDSACASA-N -1 1 356.817 2.936 20 30 FFEDMM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)cn2)c(-c2nnn[n-]2)s1 ZINC000824130502 608349118 /nfs/dbraw/zinc/34/91/18/608349118.db2.gz LIHNLLLULXACSP-UHFFFAOYSA-N -1 1 353.411 2.745 20 30 FFEDMM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)cn2)c(-c2nn[n-]n2)s1 ZINC000824130502 608349120 /nfs/dbraw/zinc/34/91/20/608349120.db2.gz LIHNLLLULXACSP-UHFFFAOYSA-N -1 1 353.411 2.745 20 30 FFEDMM N#Cc1csc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826387827 609320967 /nfs/dbraw/zinc/32/09/67/609320967.db2.gz SXFKHHWSMBGQGO-UHFFFAOYSA-N -1 1 366.385 2.737 20 30 FFEDMM N#CCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826381282 609515496 /nfs/dbraw/zinc/51/54/96/609515496.db2.gz FTGZODBOYLSUGU-UHFFFAOYSA-N -1 1 366.356 2.832 20 30 FFEDMM N#CCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826381282 609515498 /nfs/dbraw/zinc/51/54/98/609515498.db2.gz FTGZODBOYLSUGU-UHFFFAOYSA-N -1 1 366.356 2.832 20 30 FFEDMM CCc1cccnc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000825727845 609517334 /nfs/dbraw/zinc/51/73/34/609517334.db2.gz AKTCAGOVDITTFZ-UHFFFAOYSA-N -1 1 354.418 2.946 20 30 FFEDMM O=C([O-])COc1ccc(C=NNc2ccccn2)cc1Br ZINC000743426849 735297346 /nfs/dbraw/zinc/29/73/46/735297346.db2.gz XLAQWPSJAOIIHT-UHFFFAOYSA-N -1 1 350.172 2.754 20 30 FFEDMM C#CCOc1ccc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000744071865 735330471 /nfs/dbraw/zinc/33/04/71/735330471.db2.gz MZNJAJFBXRAYPJ-CQSZACIVSA-N -1 1 354.387 2.822 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000746491856 735487646 /nfs/dbraw/zinc/48/76/46/735487646.db2.gz PDIALIFWTGNUGS-UHFFFAOYSA-N -1 1 353.425 2.890 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(F)cc2Br)c(=O)o1 ZINC000129889212 728713902 /nfs/dbraw/zinc/71/39/02/728713902.db2.gz VAFIGWXGEDTNHJ-KQIUPUNMSA-N -1 1 353.143 2.816 20 30 FFEDMM C#CCSCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000130776376 728720628 /nfs/dbraw/zinc/72/06/28/728720628.db2.gz SUHOQXVVADXCBE-UHFFFAOYSA-N -1 1 374.487 2.584 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(F)cc2Br)c(=O)o1 ZINC000255155309 729633360 /nfs/dbraw/zinc/63/33/60/729633360.db2.gz VAFIGWXGEDTNHJ-MFBWXBCUSA-N -1 1 353.143 2.816 20 30 FFEDMM CC(=NN[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000863135515 730752601 /nfs/dbraw/zinc/75/26/01/730752601.db2.gz YQSYQDOGMXIRDH-VIFPVBQESA-N -1 1 351.255 2.590 20 30 FFEDMM N#CCN(C(=O)c1ccc(I)cc1[O-])C1CCCC1 ZINC000865984825 731018679 /nfs/dbraw/zinc/01/86/79/731018679.db2.gz FZTUMRYTZASRRF-UHFFFAOYSA-N -1 1 370.190 2.905 20 30 FFEDMM COCCn1ncc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000870379434 731506552 /nfs/dbraw/zinc/50/65/52/731506552.db2.gz SYGCLVYTAVXABF-LBPRGKRZSA-N -1 1 352.316 2.742 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000783521685 738811457 /nfs/dbraw/zinc/81/14/57/738811457.db2.gz XTOZNSVNJCETNQ-UHFFFAOYSA-N -1 1 351.359 2.827 20 30 FFEDMM O=C([O-])COc1ccc(C=NNc2ccc(Br)cn2)cc1 ZINC000727266274 734475283 /nfs/dbraw/zinc/47/52/83/734475283.db2.gz NTNPGMLSGHQCIY-UHFFFAOYSA-N -1 1 350.172 2.754 20 30 FFEDMM C[C@](C#N)(NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000730360461 734633187 /nfs/dbraw/zinc/63/31/87/734633187.db2.gz GZFASPQDGOVCHD-OAHLLOKOSA-N -1 1 357.193 2.664 20 30 FFEDMM C#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000733287999 734804191 /nfs/dbraw/zinc/80/41/91/734804191.db2.gz XPFGGZGEPSPAKC-UHFFFAOYSA-N -1 1 362.838 2.894 20 30 FFEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000740810843 735089000 /nfs/dbraw/zinc/08/90/00/735089000.db2.gz BXDDDCMPFTYPCP-UHFFFAOYSA-N -1 1 357.391 2.510 20 30 FFEDMM CC(C)(C)OC[C@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC000900034920 735592227 /nfs/dbraw/zinc/59/22/27/735592227.db2.gz CAKZOYLGQAUSAZ-ZDUSSCGKSA-N -1 1 355.232 2.679 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc2ccccc2n1 ZINC000749809578 735751190 /nfs/dbraw/zinc/75/11/90/735751190.db2.gz GIHRGUJSMGTCSR-UHFFFAOYSA-N -1 1 350.403 2.698 20 30 FFEDMM Cn1nnc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c1C(F)(F)F ZINC000901242689 735760042 /nfs/dbraw/zinc/76/00/42/735760042.db2.gz DFUOPUIXTVMLAF-UHFFFAOYSA-N -1 1 355.345 2.898 20 30 FFEDMM C#C[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000754358285 736150740 /nfs/dbraw/zinc/15/07/40/736150740.db2.gz WTAVEIZEDBZQEJ-INIZCTEOSA-N -1 1 356.447 2.937 20 30 FFEDMM C#C[C@@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000754366807 736151971 /nfs/dbraw/zinc/15/19/71/736151971.db2.gz MBVHYLUXTPGQQZ-HNNXBMFYSA-N -1 1 360.410 2.768 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000766473340 737232975 /nfs/dbraw/zinc/23/29/75/737232975.db2.gz DCUKRVQAGYFOPQ-UHFFFAOYSA-N -1 1 356.382 2.527 20 30 FFEDMM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000766569907 737243218 /nfs/dbraw/zinc/24/32/18/737243218.db2.gz HSSXCIKQAZKNBP-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(F)cc1Cl ZINC000767788929 737367993 /nfs/dbraw/zinc/36/79/93/737367993.db2.gz QJPUBEAACCMKTO-UHFFFAOYSA-N -1 1 357.750 2.700 20 30 FFEDMM CC(=NNS(=O)(=O)CCc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000768775318 737456739 /nfs/dbraw/zinc/45/67/39/737456739.db2.gz CCGMHDYBYDYQII-UHFFFAOYSA-N -1 1 352.843 2.932 20 30 FFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914124921 737511623 /nfs/dbraw/zinc/51/16/23/737511623.db2.gz RGLHMXDGUSUONV-LADRHHBVSA-N -1 1 356.391 2.832 20 30 FFEDMM COc1ccsc1C(C)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000769780309 737565378 /nfs/dbraw/zinc/56/53/78/737565378.db2.gz MOZPTYLIWJDNBL-UHFFFAOYSA-N -1 1 369.424 2.509 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2csc(Br)c2)c2ccccc21 ZINC000914600095 737586004 /nfs/dbraw/zinc/58/60/04/737586004.db2.gz ORQLKFBOFVDMBZ-UHFFFAOYSA-N -1 1 370.253 2.583 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)C(C)C ZINC000915205225 737613982 /nfs/dbraw/zinc/61/39/82/737613982.db2.gz NNJDJQBMSXYSSK-IPQOISQHSA-N -1 1 368.402 2.526 20 30 FFEDMM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccccc1 ZINC000917241688 737747846 /nfs/dbraw/zinc/74/78/46/737747846.db2.gz FRZIEUVBYNQRMS-CQSZACIVSA-N -1 1 352.456 2.539 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCOC2=O)cc1 ZINC000794581656 739907290 /nfs/dbraw/zinc/90/72/90/739907290.db2.gz JQCZYAXHDPRKRY-UHFFFAOYSA-N -1 1 357.391 2.510 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])s1 ZINC000797835087 740278574 /nfs/dbraw/zinc/27/85/74/740278574.db2.gz JELNHFAWQXCYGK-UHFFFAOYSA-N -1 1 373.253 2.566 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C(C)C ZINC000798472744 740336049 /nfs/dbraw/zinc/33/60/49/740336049.db2.gz UBLKSFDDSUHYKY-NSHDSACASA-N -1 1 352.200 2.663 20 30 FFEDMM C[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000807967317 741174923 /nfs/dbraw/zinc/17/49/23/741174923.db2.gz SDHRBLMDYZAAER-GFCCVEGCSA-N -1 1 359.407 2.926 20 30 FFEDMM CCCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(OC)cc1 ZINC000814799268 741866270 /nfs/dbraw/zinc/86/62/70/741866270.db2.gz ZDOFROGXNIIUGE-UHFFFAOYSA-N -1 1 357.435 2.938 20 30 FFEDMM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000815000184 741880529 /nfs/dbraw/zinc/88/05/29/741880529.db2.gz SMWONLFIMKKQDC-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815044585 741889960 /nfs/dbraw/zinc/88/99/60/741889960.db2.gz FKXFIHOMTGRXSG-UHFFFAOYSA-N -1 1 363.798 2.996 20 30 FFEDMM C=CCCCNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817780025 742211884 /nfs/dbraw/zinc/21/18/84/742211884.db2.gz BWPDRRGRWLEJJE-CYBMUJFWSA-N -1 1 355.360 2.772 20 30 FFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nc2c(s1)CCC2 ZINC000842289715 747564119 /nfs/dbraw/zinc/56/41/19/747564119.db2.gz SJKOERYVPOZYES-NSHDSACASA-N -1 1 355.419 2.992 20 30 FFEDMM C#C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000851531439 749613059 /nfs/dbraw/zinc/61/30/59/749613059.db2.gz HRTGIWPJOMXUKA-OLZOCXBDSA-N -1 1 353.440 2.705 20 30 FFEDMM C[C@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000021735986 845038577 /nfs/dbraw/zinc/03/85/77/845038577.db2.gz RMNBBLWHIVSSND-SNVBAGLBSA-N -1 1 366.345 2.834 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(F)c(F)cc2F)o1 ZINC000820107854 945351832 /nfs/dbraw/zinc/35/18/32/945351832.db2.gz CWFKTYRYWGNPLB-UHFFFAOYSA-N -1 1 365.319 2.917 20 30 FFEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C ZINC000162575561 971634168 /nfs/dbraw/zinc/63/41/68/971634168.db2.gz OFBJLEFUQFNKQK-OAHLLOKOSA-N -1 1 367.405 2.813 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2nc(C)n(C)c2Br)CCCC1 ZINC000690748215 967232949 /nfs/dbraw/zinc/23/29/49/967232949.db2.gz DYDSSEBKLGKLFZ-UHFFFAOYSA-N -1 1 362.293 2.658 20 30 FFEDMM C[C@@](CC(=O)[O-])(NCC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 ZINC001592322552 977728332 /nfs/dbraw/zinc/72/83/32/977728332.db2.gz OOMYZWQPUUVRQJ-IBGZPJMESA-N -1 1 355.369 2.616 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])[C@H](C#N)C1 ZINC001142509170 982466164 /nfs/dbraw/zinc/46/61/64/982466164.db2.gz ZJTDHRBDRYZRDQ-GFCCVEGCSA-N -1 1 353.369 2.615 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)OC)c1 ZINC000156493917 984341501 /nfs/dbraw/zinc/34/15/01/984341501.db2.gz KWSULLLABZPFKR-UHFFFAOYSA-N -1 1 366.398 2.804 20 30 FFEDMM COC(=O)c1cc([O-])c(Br)c(OC2=C(C)O[C@@H](C)C2=O)c1 ZINC001233902425 986742216 /nfs/dbraw/zinc/74/22/16/986742216.db2.gz BJTNPVKMUNNPSH-LURJTMIESA-N -1 1 357.156 2.539 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cn(-c2ccccc2)nn1 ZINC000916909908 990031791 /nfs/dbraw/zinc/03/17/91/990031791.db2.gz DZOOAFZEVBVLSJ-CYBMUJFWSA-N -1 1 365.780 2.882 20 30 FFEDMM C[C@H](OCC1CC1)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000068336001 991394582 /nfs/dbraw/zinc/39/45/82/991394582.db2.gz STOXZWFZSZDHRC-GWCFXTLKSA-N -1 1 371.462 2.855 20 30 FFEDMM COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC001599590231 993670377 /nfs/dbraw/zinc/67/03/77/993670377.db2.gz KKYDVMNASJEEJJ-SECBINFHSA-N -1 1 362.725 2.601 20 30 FFEDMM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c(F)cc([O-])cc1F ZINC001144550573 998644669 /nfs/dbraw/zinc/64/46/69/998644669.db2.gz REBWQXRJLWJKKY-KRWDZBQOSA-N -1 1 364.396 2.584 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc3ccccc3n2)cc1 ZINC000741459620 999728734 /nfs/dbraw/zinc/72/87/34/999728734.db2.gz FGYLBVVDYXZBFR-UHFFFAOYSA-N -1 1 370.390 2.597 20 30 FFEDMM Cn1c(C=NNc2cccc(Cl)n2)c(Br)cc1C(=O)[O-] ZINC001324357818 999850648 /nfs/dbraw/zinc/85/06/48/999850648.db2.gz SABJSMHRMNCVAT-UHFFFAOYSA-N -1 1 357.595 2.980 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)ccc1C#N ZINC000766546235 1000011654 /nfs/dbraw/zinc/01/16/54/1000011654.db2.gz BTEIYBVMLGUCKI-UHFFFAOYSA-N -1 1 371.418 2.620 20 30 FFEDMM COc1ccc(Cn2nc(C)c(C=NNc3nc(C)cc(=O)[n-]3)c2C)cc1 ZINC000767351753 1000111032 /nfs/dbraw/zinc/11/10/32/1000111032.db2.gz KEYJKPQCUQLVHZ-UHFFFAOYSA-N -1 1 366.425 2.807 20 30 FFEDMM COC(=O)COc1c(C)cc(CN=Nc2ccccc2C(=O)[O-])cc1C ZINC000746489616 1000144553 /nfs/dbraw/zinc/14/45/53/1000144553.db2.gz YZWZDKAINMHZRD-UHFFFAOYSA-N -1 1 356.378 2.999 20 30 FFEDMM Cc1cc(=O)n(-c2ccc(C(=O)N3CCc4cc(C#N)ccc4C3)cc2)[n-]1 ZINC001148329629 1001116715 /nfs/dbraw/zinc/11/67/15/1001116715.db2.gz UCMVHNBXUVWQQM-UHFFFAOYSA-N -1 1 358.401 2.869 20 30 FFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000785626219 1001463889 /nfs/dbraw/zinc/46/38/89/1001463889.db2.gz UURVLFLYEPDBNG-CHWSQXEVSA-N -1 1 359.426 2.734 20 30 FFEDMM Cn1ncc2c1[n-]c(NN=C1C[C@H](Oc3ccccc3)C1(C)C)nc2=O ZINC000789017332 1001946128 /nfs/dbraw/zinc/94/61/28/1001946128.db2.gz DPZSNLATAICKAI-AWEZNQCLSA-N -1 1 352.398 2.714 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)C1(c2ccccc2)CCC(=O)CC1 ZINC001182901462 1002094978 /nfs/dbraw/zinc/09/49/78/1002094978.db2.gz PNBBATBJSKUPRZ-UHFFFAOYSA-N -1 1 351.406 2.893 20 30 FFEDMM CC(C)C[C@](C)(O)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001183962438 1002454527 /nfs/dbraw/zinc/45/45/27/1002454527.db2.gz KGWBVHUPWAZYNJ-JHBOHYQCSA-N -1 1 374.466 2.957 20 30 FFEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cncc(OC)n1 ZINC000791771484 1002796706 /nfs/dbraw/zinc/79/67/06/1002796706.db2.gz NFCQZEZIHBBRDY-CQSZACIVSA-N -1 1 352.394 2.571 20 30 FFEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC)n2)cc1 ZINC000791774535 1002797444 /nfs/dbraw/zinc/79/74/44/1002797444.db2.gz XYNLQTFKPXWKLN-DOMZBBRYSA-N -1 1 352.394 2.960 20 30 FFEDMM N#Cc1c(Cl)nc(Cl)c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1Cl ZINC001170216995 1003050924 /nfs/dbraw/zinc/05/09/24/1003050924.db2.gz JOGQLCNBWLRBTF-UHFFFAOYSA-N -1 1 372.559 2.686 20 30 FFEDMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001186714768 1003397579 /nfs/dbraw/zinc/39/75/79/1003397579.db2.gz NGRICNJJLOCUOG-QPUJVOFHSA-N -1 1 361.236 2.927 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCC(=O)NC3CCCC3)c2)c1 ZINC001196319617 1003741630 /nfs/dbraw/zinc/74/16/30/1003741630.db2.gz BWAODJGTEXBMGH-UHFFFAOYSA-N -1 1 363.417 2.719 20 30 FFEDMM Cc1[nH][nH]c(=O)c1CCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196330530 1003744283 /nfs/dbraw/zinc/74/42/83/1003744283.db2.gz UAZIGXNYVYONGK-UHFFFAOYSA-N -1 1 362.389 2.641 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccnc(C#N)c2)cc1 ZINC001196461286 1003793700 /nfs/dbraw/zinc/79/37/00/1003793700.db2.gz AZDZRWLWLMPICO-UHFFFAOYSA-N -1 1 374.422 2.523 20 30 FFEDMM CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)cc(CC)c1C#N ZINC001191618794 1003892315 /nfs/dbraw/zinc/89/23/15/1003892315.db2.gz CIBJKEXJNIAJQL-UHFFFAOYSA-N -1 1 371.462 2.843 20 30 FFEDMM CC(C)Oc1c(Cl)cc(C(=O)N([O-])C(=N)c2nonc2N)cc1Cl ZINC001197192174 1004113394 /nfs/dbraw/zinc/11/33/94/1004113394.db2.gz NNXQSLBCCHXWJU-UHFFFAOYSA-N -1 1 374.184 2.603 20 30 FFEDMM N#CC1(NC(=O)c2ccc(F)c(F)c2[O-])CCN(Cc2ccccc2)CC1 ZINC001192819473 1004288265 /nfs/dbraw/zinc/28/82/65/1004288265.db2.gz YIPPQIBMQJOJDW-UHFFFAOYSA-N -1 1 371.387 2.959 20 30 FFEDMM N#Cc1c(F)ccc([N-]C(=O)c2nnn(-c3ccccc3Cl)n2)c1F ZINC001193049651 1004352355 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CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000816866199 1007232292 /nfs/dbraw/zinc/23/22/92/1007232292.db2.gz JJNHMSZVWZMGRU-INIZCTEOSA-N -1 1 371.437 2.783 20 30 FFEDMM C#C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CCOCC1 ZINC000856105597 1007690778 /nfs/dbraw/zinc/69/07/78/1007690778.db2.gz AHMVQUNASXGIHT-MRXNPFEDSA-N -1 1 374.437 2.897 20 30 FFEDMM CC[C@@H](C#N)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856172217 1007710440 /nfs/dbraw/zinc/71/04/40/1007710440.db2.gz WHUFZJLDDLRVLZ-NWANDNLSSA-N -1 1 367.371 2.599 20 30 FFEDMM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190657450 1007737461 /nfs/dbraw/zinc/73/74/61/1007737461.db2.gz AEKMMBAQWGJGMB-UHFFFAOYSA-N -1 1 352.318 2.563 20 30 FFEDMM C#CCCN(CCOC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000856389079 1007801941 /nfs/dbraw/zinc/80/19/41/1007801941.db2.gz BJPQIARDNJTDAE-UHFFFAOYSA-N -1 1 362.426 2.851 20 30 FFEDMM C#C[C@@H]1CCCCN1C(=O)c1ccc(I)cc1[O-] ZINC001180235392 1009609764 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1021452899 /nfs/dbraw/zinc/45/28/99/1021452899.db2.gz YJVSOJGANHDPNE-UHFFFAOYSA-N -1 1 354.381 2.613 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2c(C)cccc2C1 ZINC001122594167 1023357530 /nfs/dbraw/zinc/35/75/30/1023357530.db2.gz DGJSHOZMNBLJAU-UHFFFAOYSA-N -1 1 350.426 2.821 20 30 FFEDMM O=c1nc(NN=C2CC3(CCCCC3)Oc3ccccc32)nc2[nH][n-]cc1-2 ZINC000753702020 1023369103 /nfs/dbraw/zinc/36/91/03/1023369103.db2.gz ZWKRWNXJWJIIEH-UHFFFAOYSA-N -1 1 364.409 2.734 20 30 FFEDMM [O-]N=Cc1cc(Br)cc(Br)c1O[C@H]1C[C@@H](O)C1 ZINC001218422462 1033148063 /nfs/dbraw/zinc/14/80/63/1033148063.db2.gz QQLJJJNYXAQXGH-DTORHVGOSA-N -1 1 365.021 2.922 20 30 FFEDMM COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)c([N+](=O)[O-])cc1OC ZINC000757471779 1023822728 /nfs/dbraw/zinc/82/27/28/1023822728.db2.gz DULQKTDRCFGCRB-HWKANZROSA-N -1 1 373.317 2.912 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCO[C@H](CCC)C1 ZINC001121601291 1023873922 /nfs/dbraw/zinc/87/39/22/1023873922.db2.gz CXMKJYZPBHZRIL-CQSZACIVSA-N -1 1 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QBQQYYLZTHUPPP-QKXOWGBTSA-N -1 1 364.405 2.827 20 30 FFEDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C#N)c1ccccc1F ZINC001226324478 1034629913 /nfs/dbraw/zinc/62/99/13/1034629913.db2.gz JCVZNKQZLKXDOO-GFCCVEGCSA-N -1 1 361.285 2.655 20 30 FFEDMM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc(C)c1Br ZINC001226781675 1034837018 /nfs/dbraw/zinc/83/70/18/1034837018.db2.gz LCLURMMSJNQRFB-VIFPVBQESA-N -1 1 359.220 2.918 20 30 FFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](CC(=O)OCC)C(=O)OCC ZINC001227120627 1034940407 /nfs/dbraw/zinc/94/04/07/1034940407.db2.gz PAYVCCQWAIVESL-MRXNPFEDSA-N -1 1 364.394 2.587 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])[C@@H](C#N)C1 ZINC001140463158 1035484857 /nfs/dbraw/zinc/48/48/57/1035484857.db2.gz VLOLPQSCAHSEHH-AWEZNQCLSA-N -1 1 351.834 2.990 20 30 FFEDMM CC(C)(C)OC(=O)N1CC2(CC[C@H]2Oc2ccc([O-])c(C#N)c2C#N)C1 ZINC001227619440 1035642826 /nfs/dbraw/zinc/64/28/26/1035642826.db2.gz RHLPGSDMXQLWRZ-MRXNPFEDSA-N -1 1 355.394 2.914 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@@H]2Oc1cc([O-])ccc1C#N ZINC001228005696 1035865058 /nfs/dbraw/zinc/86/50/58/1035865058.db2.gz QSXQKLZNSMZWEP-LPHOPBHVSA-N -1 1 360.410 2.811 20 30 FFEDMM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](COc1cc([O-])ccc1C#N)O2 ZINC001228005403 1035865276 /nfs/dbraw/zinc/86/52/76/1035865276.db2.gz NGCLWFCEIQBQEB-HNNXBMFYSA-N -1 1 360.410 2.811 20 30 FFEDMM N#Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC001233387347 1036587671 /nfs/dbraw/zinc/58/76/71/1036587671.db2.gz FWHWHCDRJOQXDM-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM C=C[C@H](Oc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC ZINC001229591723 1036768541 /nfs/dbraw/zinc/76/85/41/1036768541.db2.gz UCZMOBXHIFPCPS-PYJQOMOHSA-N -1 1 370.357 2.806 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)C2Oc1ccccc1C=N[O-] ZINC001234821127 1037191077 /nfs/dbraw/zinc/19/10/77/1037191077.db2.gz DEJHYEDYRPKDHF-FKEKPDDDSA-N -1 1 362.426 2.755 20 30 FFEDMM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001276558886 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JAWMQAYJCOWOBX-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260332244 1040524992 /nfs/dbraw/zinc/52/49/92/1040524992.db2.gz OUGVHYCRHVWGFR-GFCCVEGCSA-N -1 1 352.200 2.808 20 30 FFEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C#N)c(C)cc3C)ccc21 ZINC001260798975 1040807210 /nfs/dbraw/zinc/80/72/10/1040807210.db2.gz OANLEAYHZSADMF-UHFFFAOYSA-N -1 1 369.446 2.885 20 30 FFEDMM C=CCN1CC[C@]2(CCCN(Cc3ccc(F)c(C(=O)[O-])c3F)C2)C1=O ZINC001249765946 1040989752 /nfs/dbraw/zinc/98/97/52/1040989752.db2.gz DKDMFDOJXBOJRX-IBGZPJMESA-N -1 1 364.392 2.664 20 30 FFEDMM C=C[C@H](COC)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001261205891 1041066782 /nfs/dbraw/zinc/06/67/82/1041066782.db2.gz SKRVDLZDZFFESM-SECBINFHSA-N -1 1 351.200 2.634 20 30 FFEDMM N#Cc1cc(F)cc(Cl)c1OS(=O)(=O)c1c[n-]nc1C(F)(F)F ZINC001309660471 1043471958 /nfs/dbraw/zinc/47/19/58/1043471958.db2.gz BXJQIHZQGLICTF-UHFFFAOYSA-N -1 1 369.683 2.860 20 30 FFEDMM C=CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C(=O)OC ZINC001309864272 1043562695 /nfs/dbraw/zinc/56/26/95/1043562695.db2.gz RXRNYHNDCNBKQW-SNVBAGLBSA-N -1 1 367.254 2.565 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)Nc2scc(C)c2C#N)[n-]c1=O ZINC001310701109 1043725972 /nfs/dbraw/zinc/72/59/72/1043725972.db2.gz MTDKCLIOAPSDQU-LLVKDONJSA-N -1 1 359.411 2.801 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC001318303370 1045268215 /nfs/dbraw/zinc/26/82/15/1045268215.db2.gz ALTOJQHIXPVISU-UHFFFAOYSA-N -1 1 369.490 2.958 20 30 FFEDMM C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])CCC1 ZINC001289899721 1047782428 /nfs/dbraw/zinc/78/24/28/1047782428.db2.gz OVFIJXNFQXJMTP-HUUCEWRRSA-N -1 1 357.454 2.691 20 30 FFEDMM CC#CC[C@H](NCc1c(C)nn(Cc2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC001334070862 1049230488 /nfs/dbraw/zinc/23/04/88/1049230488.db2.gz ZDXGQRWOHQBCGN-INIZCTEOSA-N -1 1 363.820 2.989 20 30 FFEDMM N#CCCN(C(=O)c1nc[n-]c(=O)c1Br)c1ccc(F)cc1 ZINC001292897966 1049431044 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CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H](C)C#N ZINC001585609775 1079480165 /nfs/dbraw/zinc/48/01/65/1079480165.db2.gz HGMCGTIMHWWJOF-AWEZNQCLSA-N -1 1 357.435 2.862 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1ccc(F)c(F)c1 ZINC001561270465 1076354813 /nfs/dbraw/zinc/35/48/13/1076354813.db2.gz MRJKMIFEIKDQJF-VIFPVBQESA-N -1 1 367.333 2.784 20 30 FFEDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)cc1F ZINC001561758659 1076418828 /nfs/dbraw/zinc/41/88/28/1076418828.db2.gz DTIAJQOVYQUFAE-UHFFFAOYSA-N -1 1 355.391 2.795 20 30 FFEDMM N#Cc1csc(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)n1 ZINC001561970166 1076456610 /nfs/dbraw/zinc/45/66/10/1076456610.db2.gz PVDNBOLQYBWQST-UHFFFAOYSA-N -1 1 362.461 2.617 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001566738146 1076979249 /nfs/dbraw/zinc/97/92/49/1076979249.db2.gz YRWVSXBXSOMMFY-NSHDSACASA-N -1 1 356.382 2.908 20 30 FFEDMM N#CCOc1ccc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001574480034 1077999201 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ZINC001588653438 1080143332 /nfs/dbraw/zinc/14/33/32/1080143332.db2.gz IABLOCWRCMEPHD-UHFFFAOYSA-N -1 1 350.407 2.628 20 30 FFEDMM C#CC1(F)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C1 ZINC001589647112 1080648411 /nfs/dbraw/zinc/64/84/11/1080648411.db2.gz ZEELWAMQBZJQDX-UHFFFAOYSA-N -1 1 372.421 2.593 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2scnc2C2CC2)o1 ZINC001589664600 1080657119 /nfs/dbraw/zinc/65/71/19/1080657119.db2.gz POJFHMVMPLBDBD-UHFFFAOYSA-N -1 1 358.431 2.833 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2c(F)cc(C#N)cc2F)o1 ZINC001589664684 1080659137 /nfs/dbraw/zinc/65/91/37/1080659137.db2.gz URFLMECSISEMTG-UHFFFAOYSA-N -1 1 372.339 2.649 20 30 FFEDMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000012650140 204483313 /nfs/dbraw/zinc/48/33/13/204483313.db2.gz VASYKJLSUCJZGY-UHFFFAOYSA-N -1 1 371.447 2.639 20 30 FFEDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)ccc21 ZINC000102862299 250124706 /nfs/dbraw/zinc/12/47/06/250124706.db2.gz WUCQIIWXTRTPAE-UHFFFAOYSA-N -1 1 373.409 2.797 20 30 FFEDMM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[nH]1 ZINC000276912252 256141555 /nfs/dbraw/zinc/14/15/55/256141555.db2.gz JZCGDROSLXOREN-DTWKUNHWSA-N -1 1 369.397 2.508 20 30 FFEDMM COc1cc(OC(=O)CCc2c(C)nc(SC)[n-]c2=O)ccc1C#N ZINC000278387190 256306922 /nfs/dbraw/zinc/30/69/22/256306922.db2.gz LZSVQDAIERTVFX-UHFFFAOYSA-N -1 1 359.407 2.631 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCCC3)c2)o1 ZINC000286622307 257046323 /nfs/dbraw/zinc/04/63/23/257046323.db2.gz MRSDVTUJTNZXAU-UHFFFAOYSA-N -1 1 373.434 2.758 20 30 FFEDMM N#Cc1ccc(CN2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cc1 ZINC000289174805 257263024 /nfs/dbraw/zinc/26/30/24/257263024.db2.gz SFNLHZWQCCMHAG-UHFFFAOYSA-N -1 1 357.360 2.500 20 30 FFEDMM N#Cc1ccsc1N1CC[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1=O ZINC000289685621 257293753 /nfs/dbraw/zinc/29/37/53/257293753.db2.gz ZPPIJGOHOLQSCE-SECBINFHSA-N -1 1 368.390 2.951 20 30 FFEDMM CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1OC ZINC000003554723 506342763 /nfs/dbraw/zinc/34/27/63/506342763.db2.gz QYNINYATPKULPQ-SQRWCISFSA-N -1 1 364.781 2.976 20 30 FFEDMM C#CC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC000366919326 512250732 /nfs/dbraw/zinc/25/07/32/512250732.db2.gz CBHZMAHFBDTOIT-LJQANCHMSA-N -1 1 372.428 2.564 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000066587719 506563516 /nfs/dbraw/zinc/56/35/16/506563516.db2.gz LJNDGSJVJUVSOM-UHFFFAOYSA-N -1 1 374.418 2.887 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000055555370 506775720 /nfs/dbraw/zinc/77/57/20/506775720.db2.gz ROOOGQRJSOFPOS-UHFFFAOYSA-N -1 1 352.362 2.681 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)o1 ZINC000031580898 507820444 /nfs/dbraw/zinc/82/04/44/507820444.db2.gz LDGXDILWSOTIKB-UHFFFAOYSA-N -1 1 361.423 2.675 20 30 FFEDMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)ccc2NC1=O ZINC000088535478 508375106 /nfs/dbraw/zinc/37/51/06/508375106.db2.gz LGFTVNLNGXTSNR-UHFFFAOYSA-N -1 1 355.419 2.783 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[nH]1 ZINC000153626257 508611321 /nfs/dbraw/zinc/61/13/21/508611321.db2.gz FIASIZPPDQEHAP-UHFFFAOYSA-N -1 1 366.402 2.939 20 30 FFEDMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1Cl ZINC000123469555 508691669 /nfs/dbraw/zinc/69/16/69/508691669.db2.gz BMECQJUKSYSILU-UHFFFAOYSA-N -1 1 372.780 2.977 20 30 FFEDMM CCN(C[C@H](C)C#N)C(=O)c1cc(I)ccc1[O-] ZINC000119038050 508711996 /nfs/dbraw/zinc/71/19/96/508711996.db2.gz WNCXCXCPPBABEV-SECBINFHSA-N -1 1 358.179 2.619 20 30 FFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000159532221 508853451 /nfs/dbraw/zinc/85/34/51/508853451.db2.gz RFEWAAXVJJLOJC-UHFFFAOYSA-N -1 1 374.871 2.731 20 30 FFEDMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000131476945 508937366 /nfs/dbraw/zinc/93/73/66/508937366.db2.gz DOYQRJAZWMAISS-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000131514648 508942782 /nfs/dbraw/zinc/94/27/82/508942782.db2.gz WNPJGMKDCOMDEH-UHFFFAOYSA-N -1 1 369.446 2.904 20 30 FFEDMM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000131909796 508980801 /nfs/dbraw/zinc/98/08/01/508980801.db2.gz TYWWRJLKBMATCT-HNNXBMFYSA-N -1 1 364.373 2.811 20 30 FFEDMM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000155582596 509031171 /nfs/dbraw/zinc/03/11/71/509031171.db2.gz IPFSIAKBJJPEIM-AWEZNQCLSA-N -1 1 373.416 2.558 20 30 FFEDMM C[C@H](C#N)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000179333007 509380498 /nfs/dbraw/zinc/38/04/98/509380498.db2.gz RTSXTRUEKOUJIR-ZCFIWIBFSA-N -1 1 355.616 2.680 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1[O-] ZINC000189220937 509469212 /nfs/dbraw/zinc/46/92/12/509469212.db2.gz DHJCRQZJNLAFLY-UHFFFAOYSA-N -1 1 354.381 2.613 20 30 FFEDMM N#C[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CC1 ZINC000179556150 509510608 /nfs/dbraw/zinc/51/06/08/509510608.db2.gz VLDDIKARZGGLBI-INIZCTEOSA-N -1 1 371.343 2.955 20 30 FFEDMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183003856 509543116 /nfs/dbraw/zinc/54/31/16/509543116.db2.gz DXNRMFOTPQQPIX-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c[nH]1 ZINC000180130475 509767555 /nfs/dbraw/zinc/76/75/55/509767555.db2.gz WECCCVZOOGIWSJ-UHFFFAOYSA-N -1 1 366.402 2.939 20 30 FFEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193359435 509880291 /nfs/dbraw/zinc/88/02/91/509880291.db2.gz IMKZGDMFPVXGMJ-UHFFFAOYSA-N -1 1 360.435 2.969 20 30 FFEDMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000174741775 510284436 /nfs/dbraw/zinc/28/44/36/510284436.db2.gz RRGKCXAKTDTJFW-NRFANRHFSA-N -1 1 354.840 2.750 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172589919 510809029 /nfs/dbraw/zinc/80/90/29/510809029.db2.gz PMEJTUUIUHJXAO-UHFFFAOYSA-N -1 1 370.434 2.975 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1[O-] ZINC000333292650 511193418 /nfs/dbraw/zinc/19/34/18/511193418.db2.gz KULGQCRWGWFCNN-UHFFFAOYSA-N -1 1 350.422 2.816 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C(=O)OC(C)(C)C)c2)c(=O)o1 ZINC000272064590 511418982 /nfs/dbraw/zinc/41/89/82/511418982.db2.gz AMQNOGGYNSHLGZ-IJDCCNJMSA-N -1 1 356.374 2.870 20 30 FFEDMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2C1 ZINC000365498423 511488061 /nfs/dbraw/zinc/48/80/61/511488061.db2.gz ODDYQEBDGGSQOF-UHFFFAOYSA-N -1 1 355.419 2.530 20 30 FFEDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccco1 ZINC000367882632 512704837 /nfs/dbraw/zinc/70/48/37/512704837.db2.gz ZHFMQVRDUNCUAC-KRWDZBQOSA-N -1 1 358.375 2.821 20 30 FFEDMM COCCOc1ccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000442718427 513757696 /nfs/dbraw/zinc/75/76/96/513757696.db2.gz HAXQOBNPOGNREO-ZDUSSCGKSA-N -1 1 370.405 2.789 20 30 FFEDMM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442940938 513821443 /nfs/dbraw/zinc/82/14/43/513821443.db2.gz LTFJTHBKHKTOJX-UHFFFAOYSA-N -1 1 358.781 2.733 20 30 FFEDMM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccs1 ZINC000443011202 513842752 /nfs/dbraw/zinc/84/27/52/513842752.db2.gz OVYZODQTZXJACE-LLVKDONJSA-N -1 1 351.409 2.958 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2cccc(C(F)(F)F)c2)o1 ZINC000451730568 513944615 /nfs/dbraw/zinc/94/46/15/513944615.db2.gz PEKJWOBHGXIKAQ-CYBMUJFWSA-N -1 1 374.340 2.572 20 30 FFEDMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)c1 ZINC000431618587 513945467 /nfs/dbraw/zinc/94/54/67/513945467.db2.gz GLTUGPVQUBGPNH-OAHLLOKOSA-N -1 1 362.407 2.780 20 30 FFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431640896 513954010 /nfs/dbraw/zinc/95/40/10/513954010.db2.gz SRHJFJSIRHJVLO-CQSZACIVSA-N -1 1 367.333 2.751 20 30 FFEDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)C(F)(F)F ZINC000443936655 514074986 /nfs/dbraw/zinc/07/49/86/514074986.db2.gz RMORSVCDNMEIFS-RNCFNFMXSA-N -1 1 350.362 2.822 20 30 FFEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1OC ZINC000427124704 514124420 /nfs/dbraw/zinc/12/44/20/514124420.db2.gz VDPAEJPCUAPZJN-UHFFFAOYSA-N -1 1 350.371 2.824 20 30 FFEDMM Cc1cnc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(Br)c1 ZINC000427763745 514305965 /nfs/dbraw/zinc/30/59/65/514305965.db2.gz JYKSXJAJKMXRSY-UHFFFAOYSA-N -1 1 367.228 2.528 20 30 FFEDMM N#Cc1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)o1 ZINC000433085773 514375706 /nfs/dbraw/zinc/37/57/06/514375706.db2.gz WBFXDACUXTZVQH-UHFFFAOYSA-N -1 1 358.155 2.951 20 30 FFEDMM N#Cc1cnn(-c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)c1N ZINC000445470956 514484227 /nfs/dbraw/zinc/48/42/27/514484227.db2.gz GALQGVIDJKTOKT-UHFFFAOYSA-N -1 1 362.324 2.888 20 30 FFEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)C[C@H](CC)OC)cc1 ZINC000421153376 514507749 /nfs/dbraw/zinc/50/77/49/514507749.db2.gz LKXNRQFYFBHRGH-KRWDZBQOSA-N -1 1 366.483 2.668 20 30 FFEDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)c1 ZINC000507984753 514630806 /nfs/dbraw/zinc/63/08/06/514630806.db2.gz MCTQUCXLUKSTQX-UHFFFAOYSA-N -1 1 373.434 2.506 20 30 FFEDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000509386225 515152058 /nfs/dbraw/zinc/15/20/58/515152058.db2.gz QPKBIPWLAIBEJO-UHFFFAOYSA-N -1 1 362.382 2.788 20 30 FFEDMM C=CCC1(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCC1 ZINC000456483807 515212718 /nfs/dbraw/zinc/21/27/18/515212718.db2.gz HYWMZHCGSHFFFL-UHFFFAOYSA-N -1 1 366.465 2.936 20 30 FFEDMM C[C@H](CC#N)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000505141931 515455363 /nfs/dbraw/zinc/45/53/63/515455363.db2.gz JCHAZXRXGUFKRO-CQSZACIVSA-N -1 1 357.435 2.862 20 30 FFEDMM CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481960808 515529081 /nfs/dbraw/zinc/52/90/81/515529081.db2.gz MTYJTPWQQQELDG-UHFFFAOYSA-N -1 1 374.418 2.773 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CCOC)cc1 ZINC000469015390 515628606 /nfs/dbraw/zinc/62/86/06/515628606.db2.gz QDLDNVIHIPMOCI-UHFFFAOYSA-N -1 1 359.451 2.980 20 30 FFEDMM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000473681239 515714782 /nfs/dbraw/zinc/71/47/82/515714782.db2.gz XAUBJDFYDTZPGT-INIZCTEOSA-N -1 1 357.373 2.975 20 30 FFEDMM C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000506623237 515935992 /nfs/dbraw/zinc/93/59/92/515935992.db2.gz GMOQCACCVGRODD-CQSZACIVSA-N -1 1 351.406 2.555 20 30 FFEDMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1F ZINC000507582830 516252587 /nfs/dbraw/zinc/25/25/87/516252587.db2.gz YZSISVLSFHFZAI-UHFFFAOYSA-N -1 1 362.386 2.558 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](C)C#N)cc2)cc1C ZINC000517641651 516395740 /nfs/dbraw/zinc/39/57/40/516395740.db2.gz ZBYRWCOVHGNMSA-CYBMUJFWSA-N -1 1 371.462 2.994 20 30 FFEDMM N#CC(=C([O-])c1csc(I)c1)c1ccncn1 ZINC000545446993 517243037 /nfs/dbraw/zinc/24/30/37/517243037.db2.gz GOGILDQOPIDRTP-QMMMGPOBSA-N -1 1 355.160 2.633 20 30 FFEDMM COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000515494154 517379035 /nfs/dbraw/zinc/37/90/35/517379035.db2.gz DWHHGRUTMYLZFY-INIZCTEOSA-N -1 1 352.390 2.956 20 30 FFEDMM N#Cc1ccc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1[O-] ZINC000549188669 517446897 /nfs/dbraw/zinc/44/68/97/517446897.db2.gz WIXIZBYKVHVGGC-UHFFFAOYSA-N -1 1 359.389 2.649 20 30 FFEDMM C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000564024244 518273972 /nfs/dbraw/zinc/27/39/72/518273972.db2.gz PSOIKPXILQSWNJ-GFCCVEGCSA-N -1 1 351.410 2.730 20 30 FFEDMM COc1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)c(Br)c1 ZINC000570316974 518547687 /nfs/dbraw/zinc/54/76/87/518547687.db2.gz WVQZOELMXKZMAZ-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000589181360 518942021 /nfs/dbraw/zinc/94/20/21/518942021.db2.gz REZUAPWIQGOWST-UHFFFAOYSA-N -1 1 354.753 2.897 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c1 ZINC000589184437 518943421 /nfs/dbraw/zinc/94/34/21/518943421.db2.gz LNFPMMYXJDWBSV-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c1 ZINC000589206282 518951543 /nfs/dbraw/zinc/95/15/43/518951543.db2.gz ROUQFYGCOJPHFC-UHFFFAOYSA-N -1 1 363.373 2.555 20 30 FFEDMM CCOC(=O)C(C)(C)c1csc(NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589527551 519025620 /nfs/dbraw/zinc/02/56/20/519025620.db2.gz UKOSECKFGVHCLB-UHFFFAOYSA-N -1 1 359.407 2.813 20 30 FFEDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1F ZINC000589556560 519030896 /nfs/dbraw/zinc/03/08/96/519030896.db2.gz GIBWZRCUCJZVAY-UHFFFAOYSA-N -1 1 362.382 2.788 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)c1 ZINC000589586596 519035696 /nfs/dbraw/zinc/03/56/96/519035696.db2.gz WRUYVCQWQFLKNU-UHFFFAOYSA-N -1 1 356.451 2.939 20 30 FFEDMM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000589965603 519115712 /nfs/dbraw/zinc/11/57/12/519115712.db2.gz CXIAYRMDAMFITF-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CC(C#N)C3)ccc2C)c1 ZINC000590490308 519245818 /nfs/dbraw/zinc/24/58/18/519245818.db2.gz DYHXBOPFABLOHF-UHFFFAOYSA-N -1 1 369.446 2.700 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)s1 ZINC000594820081 520173781 /nfs/dbraw/zinc/17/37/81/520173781.db2.gz ZTKRGNPPSWUCPR-LLVKDONJSA-N -1 1 368.402 2.788 20 30 FFEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C(C)(C)C#N ZINC000609025991 520180557 /nfs/dbraw/zinc/18/05/57/520180557.db2.gz AXHXTVGQFKSHAZ-UHFFFAOYSA-N -1 1 371.462 2.996 20 30 FFEDMM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000603610421 520327437 /nfs/dbraw/zinc/32/74/37/520327437.db2.gz MLTPYTYMIGKQTD-UHFFFAOYSA-N -1 1 372.812 2.745 20 30 FFEDMM CC(C)(C)OC(=O)C(C)(C)n1cc(NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000598117028 520436458 /nfs/dbraw/zinc/43/64/58/520436458.db2.gz LQWYSOLRMSLDBI-UHFFFAOYSA-N -1 1 370.409 2.789 20 30 FFEDMM C[C@H](C#N)N(C(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000598133690 520445315 /nfs/dbraw/zinc/44/53/15/520445315.db2.gz RGEBPPIACNWKAH-MRVPVSSYSA-N -1 1 356.163 2.513 20 30 FFEDMM C[C@H](c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1)N1CCOCC1 ZINC000614366596 520928288 /nfs/dbraw/zinc/92/82/88/520928288.db2.gz SSPPPSOLRYWSHS-CQSZACIVSA-N -1 1 351.406 2.909 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3cccc(C)c3C#N)CCCCC2)no1 ZINC000611015300 520948431 /nfs/dbraw/zinc/94/84/31/520948431.db2.gz FZOLOWOILWSVON-UHFFFAOYSA-N -1 1 360.439 2.696 20 30 FFEDMM CN(C(=O)c1ccc(I)c([O-])c1)[C@@H]1CCC[C@@H]1C#N ZINC000601806332 520962004 /nfs/dbraw/zinc/96/20/04/520962004.db2.gz CUOFJKJHGQJOBF-ZYHUDNBSSA-N -1 1 370.190 2.761 20 30 FFEDMM COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000615438978 521404124 /nfs/dbraw/zinc/40/41/24/521404124.db2.gz MGBCILMLOHTXHB-UHFFFAOYSA-N -1 1 365.433 2.539 20 30 FFEDMM N#C[C@@]1(F)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000615608708 521470330 /nfs/dbraw/zinc/47/03/30/521470330.db2.gz SXPNRSFJGBATAW-SFHVURJKSA-N -1 1 373.409 2.565 20 30 FFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCN(CC(F)(F)F)CC1 ZINC000619414915 521556041 /nfs/dbraw/zinc/55/60/41/521556041.db2.gz RQIPXNFRIJEBCP-NSHDSACASA-N -1 1 355.360 2.656 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccncc2OCC(F)(F)F)c1 ZINC000619618787 521797242 /nfs/dbraw/zinc/79/72/42/521797242.db2.gz CVZPHVVZPVTLDF-UHFFFAOYSA-N -1 1 351.284 2.530 20 30 FFEDMM CC1CCN([C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c2cccs2)CC1 ZINC000820237733 598222458 /nfs/dbraw/zinc/22/24/58/598222458.db2.gz CPDOFNNHUMSNLS-KBXCAEBGSA-N -1 1 363.483 2.642 20 30 FFEDMM N#Cc1cccc(COc2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)c1 ZINC000737730918 598551853 /nfs/dbraw/zinc/55/18/53/598551853.db2.gz SDTYZDWRFTZXQC-UHFFFAOYSA-N -1 1 370.376 2.851 20 30 FFEDMM N#Cc1cccc(COc2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)c1 ZINC000737730918 598551854 /nfs/dbraw/zinc/55/18/54/598551854.db2.gz SDTYZDWRFTZXQC-UHFFFAOYSA-N -1 1 370.376 2.851 20 30 FFEDMM C[C@H](C#N)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735505355 598691384 /nfs/dbraw/zinc/69/13/84/598691384.db2.gz QXBNICWRGJQYHY-LLVKDONJSA-N -1 1 366.356 2.688 20 30 FFEDMM C[C@H](C#N)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735505355 598691385 /nfs/dbraw/zinc/69/13/85/598691385.db2.gz QXBNICWRGJQYHY-LLVKDONJSA-N -1 1 366.356 2.688 20 30 FFEDMM C#CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000730996447 599838615 /nfs/dbraw/zinc/83/86/15/599838615.db2.gz QKJDSCXVUVGXES-UHFFFAOYSA-N -1 1 365.794 2.851 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738365256 600305075 /nfs/dbraw/zinc/30/50/75/600305075.db2.gz YJIKQDNTNTUARA-GOSISDBHSA-N -1 1 369.465 2.737 20 30 FFEDMM CCCNC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829519801 601301126 /nfs/dbraw/zinc/30/11/26/601301126.db2.gz UQULFFJRWZBQDY-GOSISDBHSA-N -1 1 351.406 2.614 20 30 FFEDMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000828493753 601960952 /nfs/dbraw/zinc/96/09/52/601960952.db2.gz JPHITBBYYBTPDH-FOIQADDNSA-N -1 1 365.433 2.501 20 30 FFEDMM O=C([O-])N1CC[C@H](c2ccc(C(F)(F)F)cc2)C(=Nn2cnnc2)C1 ZINC000831968787 604417871 /nfs/dbraw/zinc/41/78/71/604417871.db2.gz FVGLVMVJCPPRGA-GFCCVEGCSA-N -1 1 353.304 2.669 20 30 FFEDMM C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833540643 604867001 /nfs/dbraw/zinc/86/70/01/604867001.db2.gz OAYGEXYWXYKFFG-JTQLQIEISA-N -1 1 350.334 2.539 20 30 FFEDMM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833540644 604867193 /nfs/dbraw/zinc/86/71/93/604867193.db2.gz OAYGEXYWXYKFFG-SNVBAGLBSA-N -1 1 350.334 2.539 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833788129 605557920 /nfs/dbraw/zinc/55/79/20/605557920.db2.gz NVKPYEQBZIIBIN-SOUVJXGZSA-N -1 1 365.499 2.629 20 30 FFEDMM Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@H](C)C#N)cc1C(=O)[O-] ZINC000779844630 605597071 /nfs/dbraw/zinc/59/70/71/605597071.db2.gz JPWCABMAQOFNJJ-GFCCVEGCSA-N -1 1 360.391 2.785 20 30 FFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)nnn1-c1ccccc1 ZINC000822014926 606390195 /nfs/dbraw/zinc/39/01/95/606390195.db2.gz AZRBPVIJRLCEOB-VQHVLOKHSA-N -1 1 363.406 2.713 20 30 FFEDMM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821694020 606390715 /nfs/dbraw/zinc/39/07/15/606390715.db2.gz ZJNGDZPCZLNEDI-FNORWQNLSA-N -1 1 374.397 2.989 20 30 FFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cnn1-c1ccccn1 ZINC000822015736 606392494 /nfs/dbraw/zinc/39/24/94/606392494.db2.gz NXSBCNBZKFOTJC-FNORWQNLSA-N -1 1 363.406 2.713 20 30 FFEDMM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819845582 606556139 /nfs/dbraw/zinc/55/61/39/606556139.db2.gz WPNQBSZYHQRHMX-QGZVFWFLSA-N -1 1 352.423 2.573 20 30 FFEDMM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819845582 606556140 /nfs/dbraw/zinc/55/61/40/606556140.db2.gz WPNQBSZYHQRHMX-QGZVFWFLSA-N -1 1 352.423 2.573 20 30 FFEDMM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000826010676 607842988 /nfs/dbraw/zinc/84/29/88/607842988.db2.gz NXLGZCIMFNVRAB-QPJJXVBHSA-N -1 1 365.418 2.733 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(Cl)c(N)c(Cl)c2)o1 ZINC000823963063 607843466 /nfs/dbraw/zinc/84/34/66/607843466.db2.gz UUBRWEWKDNRVOM-UHFFFAOYSA-N -1 1 367.200 2.888 20 30 FFEDMM COc1cccc(OC)c1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000826217716 607886703 /nfs/dbraw/zinc/88/67/03/607886703.db2.gz ZJTQVPQCLKCJNR-UHFFFAOYSA-N -1 1 371.401 2.516 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(Cl)ccc3cccnc32)o1 ZINC000826323026 609276497 /nfs/dbraw/zinc/27/64/97/609276497.db2.gz MNNKYIDWNFFZCO-UHFFFAOYSA-N -1 1 354.761 2.811 20 30 FFEDMM C#CCOc1ccc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000744071646 735330452 /nfs/dbraw/zinc/33/04/52/735330452.db2.gz MZNJAJFBXRAYPJ-AWEZNQCLSA-N -1 1 354.387 2.822 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCC(F)(F)F)cc2)c(=O)o1 ZINC000120831133 728616218 /nfs/dbraw/zinc/61/62/18/728616218.db2.gz RPWCCNXWXGHEOS-NFBGWVBBSA-N -1 1 354.280 2.856 20 30 FFEDMM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1cccnc1 ZINC000121010525 728619089 /nfs/dbraw/zinc/61/90/89/728619089.db2.gz ISZGPAPSBMRQDP-UHFFFAOYSA-N -1 1 371.388 2.687 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)c1 ZINC000122025811 728643110 /nfs/dbraw/zinc/64/31/10/728643110.db2.gz ODJHHFOTIGOCOA-UHFFFAOYSA-N -1 1 351.330 2.534 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c(F)c1 ZINC000135365909 728738013 /nfs/dbraw/zinc/73/80/13/728738013.db2.gz AITUWKUJKWBITD-UHFFFAOYSA-N -1 1 356.382 2.743 20 30 FFEDMM O=C(Oc1c(F)c(F)cc(F)c1F)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000193349759 729475813 /nfs/dbraw/zinc/47/58/13/729475813.db2.gz KQILWCBNWQYTPD-CLZZGJSISA-N -1 1 359.197 2.606 20 30 FFEDMM CC(C)c1csc(C(C#N)=C([O-])c2cnc3c(c2)NC(=O)CN3C)n1 ZINC000860582280 730526814 /nfs/dbraw/zinc/52/68/14/730526814.db2.gz SEBMNPSNWFGQDP-LLVKDONJSA-N -1 1 355.423 2.540 20 30 FFEDMM CC#CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000645882118 730616016 /nfs/dbraw/zinc/61/60/16/730616016.db2.gz FCUBDUMHBMFJBH-SECBINFHSA-N -1 1 356.658 2.699 20 30 FFEDMM N#Cc1cc2c(nc1SCc1nc3c(c(=O)[n-]1)COCC3)CCCC2 ZINC000865349138 730945369 /nfs/dbraw/zinc/94/53/69/730945369.db2.gz BISLAKXARWYLFS-UHFFFAOYSA-N -1 1 354.435 2.693 20 30 FFEDMM N#Cc1ccsc1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870160423 731476209 /nfs/dbraw/zinc/47/62/09/731476209.db2.gz OHEUKLLYJNOQNZ-UHFFFAOYSA-N -1 1 361.854 2.937 20 30 FFEDMM O=C(c1cc(Br)ccc1[O-])N1CCC2(CC1)CC(=O)C=CO2 ZINC000887781845 733975068 /nfs/dbraw/zinc/97/50/68/733975068.db2.gz JNDSAICXNLIJRU-UHFFFAOYSA-N -1 1 366.211 2.633 20 30 FFEDMM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759364 734336729 /nfs/dbraw/zinc/33/67/29/734336729.db2.gz KESGOUVVAWUYHW-QGZVFWFLSA-N -1 1 352.818 2.923 20 30 FFEDMM C[C@@H]1CO[C@@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000892424546 734557708 /nfs/dbraw/zinc/55/77/08/734557708.db2.gz PZTAVPZPJRRZBG-MVWJERBFSA-N -1 1 357.435 2.877 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Cl)c1OC ZINC000730434737 734636692 /nfs/dbraw/zinc/63/66/92/734636692.db2.gz RUYKDYHWBYCGOX-KXQLTZBTSA-N -1 1 350.754 2.585 20 30 FFEDMM O=C([O-])c1ccc(C=Nn2c(C(F)(F)F)n[nH]c2=S)c(Cl)c1 ZINC000783799323 738838305 /nfs/dbraw/zinc/83/83/05/738838305.db2.gz MBURETQPTXSDRY-UHFFFAOYSA-N -1 1 350.709 2.819 20 30 FFEDMM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C(C)C)N2CCCCC2)n1 ZINC000741012383 735108092 /nfs/dbraw/zinc/10/80/92/735108092.db2.gz MTJFWQSYRCNRSC-GOEBONIOSA-N -1 1 363.483 2.682 20 30 FFEDMM CCN(C)c1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000748076580 735615295 /nfs/dbraw/zinc/61/52/95/735615295.db2.gz ROCYWQSQPGQDIW-UHFFFAOYSA-N -1 1 356.451 2.605 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1c(F)cccc1Cl ZINC000748248147 735630248 /nfs/dbraw/zinc/63/02/48/735630248.db2.gz IBCVHEPXYSALII-UHFFFAOYSA-N -1 1 357.750 2.700 20 30 FFEDMM C[C@](C#N)(NC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1)C1CC1 ZINC000901617138 735805422 /nfs/dbraw/zinc/80/54/22/735805422.db2.gz AMLQQHSATDXLID-GOSISDBHSA-N -1 1 354.435 2.750 20 30 FFEDMM C[C@@](C#N)(NC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1)C1CC1 ZINC000901617139 735805531 /nfs/dbraw/zinc/80/55/31/735805531.db2.gz AMLQQHSATDXLID-SFHVURJKSA-N -1 1 354.435 2.750 20 30 FFEDMM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccnn2CC2CCC2)cc1F ZINC000903647227 736135161 /nfs/dbraw/zinc/13/51/61/736135161.db2.gz DGZTZIRMWCSPTL-UHFFFAOYSA-N -1 1 352.366 2.634 20 30 FFEDMM O=c1c2cc(Br)ccc2ncn1N=Cc1cccc(F)c1[O-] ZINC000755628089 736266316 /nfs/dbraw/zinc/26/63/16/736266316.db2.gz PXFVHCRZAOCLRO-UHFFFAOYSA-N -1 1 362.158 2.886 20 30 FFEDMM C[C@H](Cc1ccc(NS(=O)(=O)c2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000758168900 736457857 /nfs/dbraw/zinc/45/78/57/736457857.db2.gz DUWYPYKEUCLGCS-LLVKDONJSA-N -1 1 362.382 2.761 20 30 FFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795844420 740070120 /nfs/dbraw/zinc/07/01/20/740070120.db2.gz JLXXGKCHHFYVCK-ZETCQYMHSA-N -1 1 367.196 2.739 20 30 FFEDMM C=CCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000762020059 736784292 /nfs/dbraw/zinc/78/42/92/736784292.db2.gz BSWQMPBLGDHJSI-UHFFFAOYSA-N -1 1 364.199 2.552 20 30 FFEDMM O=C([O-])c1ccc2c(C=NNC(=S)Nc3ccc(F)cc3)n[nH]c2c1 ZINC000765556749 737133067 /nfs/dbraw/zinc/13/30/67/737133067.db2.gz XURGPRPQMPLQCJ-UHFFFAOYSA-N -1 1 357.370 2.721 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(COC)cc2)c1 ZINC000766581186 737244680 /nfs/dbraw/zinc/24/46/80/737244680.db2.gz QHCWBKQMLUCCOE-UHFFFAOYSA-N -1 1 360.435 2.550 20 30 FFEDMM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1OC(F)F ZINC000767959844 737386392 /nfs/dbraw/zinc/38/63/92/737386392.db2.gz MIMPAMIDGMEETL-MRVPVSSYSA-N -1 1 368.727 2.636 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C(Cc1ccccc1)C(F)F ZINC000769584585 737543337 /nfs/dbraw/zinc/54/33/37/737543337.db2.gz IAPWDLWNMBEDJK-UHFFFAOYSA-N -1 1 369.349 2.737 20 30 FFEDMM CSc1ccc2c(c1)CCCC2N=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000769819238 737570413 /nfs/dbraw/zinc/57/04/13/737570413.db2.gz OOCCUXZTXDPTLO-UHFFFAOYSA-N -1 1 354.439 2.943 20 30 FFEDMM Cc1ccc2c(c1)C(=NN=C1[N-]S(=O)(=O)c3ccccc31)CCCO2 ZINC000914599427 737585761 /nfs/dbraw/zinc/58/57/61/737585761.db2.gz BMVDYRZUSJFHPW-UHFFFAOYSA-N -1 1 355.419 2.610 20 30 FFEDMM COc1ccc(Cl)cc1C(C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914599650 737585865 /nfs/dbraw/zinc/58/58/65/737585865.db2.gz JYUPSNLRGSHINO-UHFFFAOYSA-N -1 1 363.826 2.811 20 30 FFEDMM CCCCCCCCN1C(=O)C(=CNc2cc(C)[nH]n2)C(=O)[N-]C1=S ZINC000920976855 737937315 /nfs/dbraw/zinc/93/73/15/737937315.db2.gz YFQTZHXSAGADGS-ACCUITESSA-N -1 1 363.487 2.618 20 30 FFEDMM Cc1ccc(S(=O)(=O)NN=Cc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000921253010 737955436 /nfs/dbraw/zinc/95/54/36/737955436.db2.gz HXXKQOYLXQRJFC-UHFFFAOYSA-N -1 1 369.786 2.575 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c(F)c1 ZINC000777993088 738340113 /nfs/dbraw/zinc/34/01/13/738340113.db2.gz KRLIEVVZXAOONL-UHFFFAOYSA-N -1 1 360.197 2.878 20 30 FFEDMM O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1n[n-]c(C(F)(F)F)n1 ZINC000930471875 739114447 /nfs/dbraw/zinc/11/44/47/739114447.db2.gz VJTTVNHHXBTTAN-UHFFFAOYSA-N -1 1 360.193 2.534 20 30 FFEDMM Cc1c(Br)c(C)n(N=Cc2cccc(F)c2[O-])c(=O)c1C#N ZINC000788455681 739246575 /nfs/dbraw/zinc/24/65/75/739246575.db2.gz VIFLDDROPWTVBK-UHFFFAOYSA-N -1 1 364.174 2.826 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)c1 ZINC000790417836 739451538 /nfs/dbraw/zinc/45/15/38/739451538.db2.gz QQLSBSNPWXJWPK-UHFFFAOYSA-N -1 1 360.435 2.671 20 30 FFEDMM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000793415997 739779036 /nfs/dbraw/zinc/77/90/36/739779036.db2.gz NHVBUTUZNGKFLZ-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM N#Cc1c(F)cccc1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000798410105 740329601 /nfs/dbraw/zinc/32/96/01/740329601.db2.gz MIEUUHCFFAQSBQ-UHFFFAOYSA-N -1 1 362.382 2.905 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800051773 740478686 /nfs/dbraw/zinc/47/86/86/740478686.db2.gz RYXBMLWNBMCXED-UHFFFAOYSA-N -1 1 365.342 2.723 20 30 FFEDMM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1C#N ZINC000805043976 740930357 /nfs/dbraw/zinc/93/03/57/740930357.db2.gz APYYBGFAFWYDEG-UHFFFAOYSA-N -1 1 372.780 2.977 20 30 FFEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000809249530 741295545 /nfs/dbraw/zinc/29/55/45/741295545.db2.gz YIKINXIFZNQKHO-QCQGSNGOSA-N -1 1 364.408 2.519 20 30 FFEDMM N#CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809844360 741352948 /nfs/dbraw/zinc/35/29/48/741352948.db2.gz YFCJGTKOFJPMMT-UHFFFAOYSA-N -1 1 364.210 2.874 20 30 FFEDMM N#CC(C(=O)Cn1cc(Br)cn1)=C([O-])C1(c2ccccc2)CC1 ZINC000845839692 748335115 /nfs/dbraw/zinc/33/51/15/748335115.db2.gz VRWYVEOGQOHFTB-AWEZNQCLSA-N -1 1 372.222 2.655 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000845965738 748363591 /nfs/dbraw/zinc/36/35/91/748363591.db2.gz QMFDLRZVZIASGA-UHFFFAOYSA-N -1 1 361.782 2.750 20 30 FFEDMM C=C(C)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC000852522284 749882673 /nfs/dbraw/zinc/88/26/73/749882673.db2.gz YOZGCLBDGJXWDX-QWHCGFSZSA-N -1 1 364.408 2.806 20 30 FFEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000384957639 845826350 /nfs/dbraw/zinc/82/63/50/845826350.db2.gz MVWDSXPVYXPFME-UHFFFAOYSA-N -1 1 353.669 2.988 20 30 FFEDMM CCc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)n1 ZINC000188105546 971488562 /nfs/dbraw/zinc/48/85/62/971488562.db2.gz PFJRUKFIZYXAOX-UHFFFAOYSA-N -1 1 370.478 2.988 20 30 FFEDMM CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001593764507 954503400 /nfs/dbraw/zinc/50/34/00/954503400.db2.gz AFESAQIUNUAHNB-OAHLLOKOSA-N -1 1 368.315 2.545 20 30 FFEDMM N#Cc1cccc(CN2CCC(NC(=O)C3(C(=O)[O-])CCCCC3)CC2)c1 ZINC001594625060 956306847 /nfs/dbraw/zinc/30/68/47/956306847.db2.gz BYFDGRJVEJZXSX-UHFFFAOYSA-N -1 1 369.465 2.674 20 30 FFEDMM CSCC[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1nn[n-]n1 ZINC001167448861 963515628 /nfs/dbraw/zinc/51/56/28/963515628.db2.gz NXVKDCSXUWGEBB-LBPRGKRZSA-N -1 1 372.479 2.819 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCC(F)(F)F)c(F)c2)c(=O)o1 ZINC000588450118 965165876 /nfs/dbraw/zinc/16/58/76/965165876.db2.gz XKGWABSPLHVGJM-HKLWWIALSA-N -1 1 372.270 2.995 20 30 FFEDMM N#C[C@H](C(=O)CC[C@H]1CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000176083615 965185367 /nfs/dbraw/zinc/18/53/67/965185367.db2.gz HFSIJKAGFNFFJK-WCQYABFASA-N -1 1 371.462 2.856 20 30 FFEDMM C#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000191104964 967435015 /nfs/dbraw/zinc/43/50/15/967435015.db2.gz LDDPBYRJVWBHPV-UHFFFAOYSA-N -1 1 372.446 2.591 20 30 FFEDMM C#C[C@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000773586964 1013771852 /nfs/dbraw/zinc/77/18/52/1013771852.db2.gz HMDKIGMGSVGFMG-HNNXBMFYSA-N -1 1 371.462 2.651 20 30 FFEDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccc(C#N)cn3)CC2)c1[O-] ZINC000177043261 968660006 /nfs/dbraw/zinc/66/00/06/968660006.db2.gz YXEZUPOIMGXLLD-UHFFFAOYSA-N -1 1 370.840 2.837 20 30 FFEDMM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC001271436243 973021679 /nfs/dbraw/zinc/02/16/79/973021679.db2.gz ACCJJTDJLNWCRZ-OAHLLOKOSA-N -1 1 362.857 2.980 20 30 FFEDMM C#Cc1ccc(C(=O)NC2=C(C(=O)OCC)C(C)=Nc3ccccc3[N-]2)cn1 ZINC000728801417 974077722 /nfs/dbraw/zinc/07/77/22/974077722.db2.gz YWRRGTDMRJSNMV-UHFFFAOYSA-N -1 1 374.400 2.786 20 30 FFEDMM CC(C)/C=C/C(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001142656188 977417698 /nfs/dbraw/zinc/41/76/98/977417698.db2.gz KOCAKDWXTRXGSW-JPSYUVCJSA-N -1 1 367.768 2.953 20 30 FFEDMM C#CCN1CCC(NC(=O)[C@@](C)(CC(=O)[O-])c2ccc(C(C)C)cc2)CC1 ZINC000905132029 980391785 /nfs/dbraw/zinc/39/17/85/980391785.db2.gz WPEPTYVQLRHXHD-QFIPXVFZSA-N -1 1 370.493 2.756 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccc(F)cc1 ZINC001211945906 981233390 /nfs/dbraw/zinc/23/33/90/981233390.db2.gz HUOWNTPQLSQUDG-MWTRTKDXSA-N -1 1 372.487 2.765 20 30 FFEDMM N#Cc1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(C#N)cn1 ZINC001212061602 981485460 /nfs/dbraw/zinc/48/54/60/981485460.db2.gz OIQJVEXGNXFFRG-UHFFFAOYSA-N -1 1 354.416 2.518 20 30 FFEDMM C=CCn1c(CC(C)C)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908642527 981488218 /nfs/dbraw/zinc/48/82/18/981488218.db2.gz GWHJHSPPDNZCBZ-ZDUSSCGKSA-N -1 1 358.446 2.508 20 30 FFEDMM C=CCC[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000908776663 981520873 /nfs/dbraw/zinc/52/08/73/981520873.db2.gz RLMVUSAODXDDBW-QGZVFWFLSA-N -1 1 363.433 2.509 20 30 FFEDMM C=CCC[C@@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000909719225 981695276 /nfs/dbraw/zinc/69/52/76/981695276.db2.gz ZEOGFFWFXHMUIK-QFBILLFUSA-N -1 1 358.482 2.865 20 30 FFEDMM COc1ccccc1NC(=S)NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000765556702 985187770 /nfs/dbraw/zinc/18/77/70/985187770.db2.gz XEDTWIBIBJLETO-UHFFFAOYSA-N -1 1 369.406 2.590 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(N2CCCNC2=O)c1 ZINC000174754686 987516908 /nfs/dbraw/zinc/51/69/08/987516908.db2.gz OFFXQDOWYQBRDT-UHFFFAOYSA-N -1 1 370.434 2.587 20 30 FFEDMM COc1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)ccc1OC(C)C ZINC000914600155 987813283 /nfs/dbraw/zinc/81/32/83/987813283.db2.gz PJTRSERQFIFKHY-UHFFFAOYSA-N -1 1 373.434 2.555 20 30 FFEDMM COc1ccc2cc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)ccc2c1 ZINC000914599816 987813297 /nfs/dbraw/zinc/81/32/97/987813297.db2.gz KVKTZTXBTBOKMJ-UHFFFAOYSA-N -1 1 365.414 2.921 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)cc1OC ZINC000916935772 990036560 /nfs/dbraw/zinc/03/65/60/990036560.db2.gz VXBASSDVISXVEU-CQSZACIVSA-N -1 1 364.361 2.541 20 30 FFEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000917753663 990270947 /nfs/dbraw/zinc/27/09/47/990270947.db2.gz NMLCBGBJIGQCOU-UHFFFAOYSA-N -1 1 372.402 2.840 20 30 FFEDMM COc1ccc(OCc2nc(C=NNc3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000920359435 990838909 /nfs/dbraw/zinc/83/89/09/990838909.db2.gz MSYSANKHQWBEPC-UHFFFAOYSA-N -1 1 371.422 2.981 20 30 FFEDMM C=C(C)C[C@@H](CO)NC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000879813606 1015683579 /nfs/dbraw/zinc/68/35/79/1015683579.db2.gz COBQHDNPUZQAOJ-AWEZNQCLSA-N -1 1 373.375 2.622 20 30 FFEDMM CC(C)N(Cc1cccc(C(=O)[O-])c1C#N)C[C@@H](O)COc1ccccc1 ZINC001591600323 992830462 /nfs/dbraw/zinc/83/04/62/992830462.db2.gz JXWAPCSBFUQAIJ-QGZVFWFLSA-N -1 1 368.433 2.907 20 30 FFEDMM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC001593299801 994726128 /nfs/dbraw/zinc/72/61/28/994726128.db2.gz WLPXYYSAADPMJM-LBPRGKRZSA-N -1 1 355.350 2.781 20 30 FFEDMM C/C=C/COc1ccc(CCC(C)N=Nc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000731155081 997717704 /nfs/dbraw/zinc/71/77/04/997717704.db2.gz RGZWWEBZNQSTCI-MUBIYNESSA-N -1 1 366.425 2.808 20 30 FFEDMM CCCCc1oc2ccccc2c1C=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000731158031 997720294 /nfs/dbraw/zinc/72/02/94/997720294.db2.gz YNZFINDIYHVBED-UHFFFAOYSA-N -1 1 350.382 2.967 20 30 FFEDMM C#CCN(CC#CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000742130684 999760039 /nfs/dbraw/zinc/76/00/39/999760039.db2.gz NDGXFMIQEAXMCY-UHFFFAOYSA-N -1 1 366.442 2.586 20 30 FFEDMM CC(C)c1cccc2c1OCCCC2=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000768483720 1000255550 /nfs/dbraw/zinc/25/55/50/1000255550.db2.gz BCHWLRHSKMNXGK-UHFFFAOYSA-N -1 1 352.398 2.544 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000769656240 1000570582 /nfs/dbraw/zinc/57/05/82/1000570582.db2.gz YWRDJTUBNGCROW-AWEZNQCLSA-N -1 1 374.437 2.649 20 30 FFEDMM COc1cccc(C(=O)Nc2c(C#N)c(CC#N)nn2-c2ccccc2)c1[O-] ZINC001148197338 1001048681 /nfs/dbraw/zinc/04/86/81/1001048681.db2.gz FGWSBWMVPNPVKX-UHFFFAOYSA-N -1 1 373.372 2.777 20 30 FFEDMM CN(CC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1)C(=O)OC(C)(C)C ZINC000785585971 1001454389 /nfs/dbraw/zinc/45/43/89/1001454389.db2.gz SRJRALGHNDDPTC-UHFFFAOYSA-N -1 1 373.453 2.983 20 30 FFEDMM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785635459 1001465508 /nfs/dbraw/zinc/46/55/08/1001465508.db2.gz STFXLYCHNOXWQC-SWLSCSKDSA-N -1 1 359.426 2.639 20 30 FFEDMM N#C[C@@H](Cc1ccc(O)cc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC001183604896 1002328932 /nfs/dbraw/zinc/32/89/32/1002328932.db2.gz DBLDOISWKQCLOY-SNVBAGLBSA-N -1 1 362.183 2.576 20 30 FFEDMM CN1CCN(c2ccc(F)cc2NC(=O)CCC(=O)C2=CC=C[CH]2)CC1 ZINC001184244469 1002536712 /nfs/dbraw/zinc/53/67/12/1002536712.db2.gz BSMWPGVHKOOHGN-UHFFFAOYSA-N -1 1 356.421 2.566 20 30 FFEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000804462421 1003672622 /nfs/dbraw/zinc/67/26/22/1003672622.db2.gz KQUYOIXZDVFZLQ-UHFFFAOYSA-N -1 1 359.426 2.918 20 30 FFEDMM Cc1cc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)n2ncnc2n1 ZINC001196296612 1003739491 /nfs/dbraw/zinc/73/94/91/1003739491.db2.gz ARPRKPGMLDXUBJ-UHFFFAOYSA-N -1 1 370.372 2.929 20 30 FFEDMM COc1cnc(C2(NC(=O)Nc3ccc(C#N)cc3)CCCC2)[n-]c1=O ZINC001196400321 1003763095 /nfs/dbraw/zinc/76/30/95/1003763095.db2.gz UQEBHHXJFRPBPN-UHFFFAOYSA-N -1 1 353.382 2.653 20 30 FFEDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)c2)o1 ZINC001192265427 1004109759 /nfs/dbraw/zinc/10/97/59/1004109759.db2.gz VDHMAPYSEFUOQS-UHFFFAOYSA-N -1 1 354.391 2.912 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccnc1-2 ZINC000806485409 1004343333 /nfs/dbraw/zinc/34/33/33/1004343333.db2.gz YQWDYSSLLBAOOA-UHFFFAOYSA-N -1 1 358.405 2.535 20 30 FFEDMM COc1ccnc(C(=O)Nc2ccc(N3CCCCC3)c(C#N)c2)c1[O-] ZINC001193531246 1004497808 /nfs/dbraw/zinc/49/78/08/1004497808.db2.gz IUUITZCRIHOYLT-UHFFFAOYSA-N -1 1 352.394 2.910 20 30 FFEDMM CC(C)(O)C#Cc1cccc([N-]S(=O)(=O)c2ccc3nccnc3c2)c1 ZINC001198153305 1004511304 /nfs/dbraw/zinc/51/13/04/1004511304.db2.gz KQQCVKCIMHRXKB-UHFFFAOYSA-N -1 1 367.430 2.553 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)Nc2ccc([S-])c(OC)c2)c1 ZINC001193688260 1004551900 /nfs/dbraw/zinc/55/19/00/1004551900.db2.gz YGBZUGMYEOUIAG-UHFFFAOYSA-N -1 1 350.421 2.665 20 30 FFEDMM N#Cc1cnc([N-]C(=O)c2cnoc2C(F)(F)F)c(Br)c1 ZINC001199048230 1004818553 /nfs/dbraw/zinc/81/85/53/1004818553.db2.gz BTTWSKGFFUDMKC-UHFFFAOYSA-N -1 1 361.077 2.975 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(OC(F)(F)F)c2)cc1C#N ZINC001201295574 1005196178 /nfs/dbraw/zinc/19/61/78/1005196178.db2.gz UYJSOTKEIPMQOE-UHFFFAOYSA-N -1 1 357.313 2.961 20 30 FFEDMM CC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)cc21 ZINC001201320322 1005199170 /nfs/dbraw/zinc/19/91/70/1005199170.db2.gz WLLVBABPARZAQS-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000776642495 1006296674 /nfs/dbraw/zinc/29/66/74/1006296674.db2.gz FBCQVUCEECEOPV-UHFFFAOYSA-N -1 1 365.389 2.611 20 30 FFEDMM COc1ccc([C@]2(C)NC(=O)N(N=Cc3cccc([O-])c3Cl)C2=O)cc1 ZINC000814746107 1006421764 /nfs/dbraw/zinc/42/17/64/1006421764.db2.gz QHDYEDKCLJIESH-SFHVURJKSA-N -1 1 373.796 2.855 20 30 FFEDMM COc1cccc([C@]2(C)NC(=O)N(N=Cc3cccc([O-])c3Cl)C2=O)c1 ZINC000814755794 1006424599 /nfs/dbraw/zinc/42/45/99/1006424599.db2.gz FVHLMBWENFVREB-SFHVURJKSA-N -1 1 373.796 2.855 20 30 FFEDMM CC(=NNc1ncnc2nc[nH]c21)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814813837 1006439011 /nfs/dbraw/zinc/43/90/11/1006439011.db2.gz KEDAXRRMRJVWLY-UHFFFAOYSA-N -1 1 364.365 2.871 20 30 FFEDMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cc2)o1 ZINC001116195669 1032184635 /nfs/dbraw/zinc/18/46/35/1032184635.db2.gz NIMPYYBYDJXDHM-UHFFFAOYSA-N -1 1 354.391 2.912 20 30 FFEDMM C=CCCCNC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152609082 1032202210 /nfs/dbraw/zinc/20/22/10/1032202210.db2.gz GHQXKSCYNBPOHO-UHFFFAOYSA-N -1 1 351.358 2.569 20 30 FFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC000855303492 1007260407 /nfs/dbraw/zinc/26/04/07/1007260407.db2.gz DORFBGKMAMXILT-HXUWFJFHSA-N -1 1 365.437 2.707 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc([O-])cc(C#N)c3)CC[C@H]21 ZINC000817000305 1007313662 /nfs/dbraw/zinc/31/36/62/1007313662.db2.gz LFNKQJKVOFFMGH-WMLDXEAASA-N -1 1 371.437 2.735 20 30 FFEDMM C#C[C@@H](CCC)NC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000820666662 1008358582 /nfs/dbraw/zinc/35/85/82/1008358582.db2.gz LTNISECMVLQCOB-UONOGXRCSA-N -1 1 367.371 2.608 20 30 FFEDMM COc1cc2[n-]cc(C(=O)N(CCC#N)CC(C)C)c(=O)c2c(OC)c1 ZINC000858827464 1008431855 /nfs/dbraw/zinc/43/18/55/1008431855.db2.gz CJNDJEJDALTEFA-UHFFFAOYSA-N -1 1 357.410 2.557 20 30 FFEDMM N#Cc1cc(NC(=O)C2CCN(Cc3ccccn3)CC2)c([O-])cc1F ZINC001177213375 1008519166 /nfs/dbraw/zinc/51/91/66/1008519166.db2.gz PYMWASJNPHXPFX-UHFFFAOYSA-N -1 1 354.385 2.649 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1[O-] ZINC000886129252 1008578246 /nfs/dbraw/zinc/57/82/46/1008578246.db2.gz ZWVDEZXJVHRARS-SFHVURJKSA-N -1 1 364.401 2.755 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1 ZINC000886130808 1008578326 /nfs/dbraw/zinc/57/83/26/1008578326.db2.gz LKEFMWBRDYLMEH-SFHVURJKSA-N -1 1 364.401 2.755 20 30 FFEDMM C=C[C@@H](CO)NC(=O)C(=CCC)c1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC001177420366 1008606901 /nfs/dbraw/zinc/60/69/01/1008606901.db2.gz JHHSZDINRUGZLY-LCFDYFRESA-N -1 1 367.471 2.947 20 30 FFEDMM COc1ccccc1N1CCCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000889475779 1009979650 /nfs/dbraw/zinc/97/96/50/1009979650.db2.gz OPULOYLPNGUOLD-UHFFFAOYSA-N -1 1 351.406 2.625 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)[n-]c1=O ZINC000889785076 1010112924 /nfs/dbraw/zinc/11/29/24/1010112924.db2.gz BIBDBSRGCSXWOP-OAHLLOKOSA-N -1 1 366.421 2.969 20 30 FFEDMM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3cc(F)ccc3[O-])CC2)C1=O ZINC001275034595 1011842644 /nfs/dbraw/zinc/84/26/44/1011842644.db2.gz VCRJOWHUCATYRG-HXUWFJFHSA-N -1 1 360.429 2.952 20 30 FFEDMM Cc1cc(C#N)cnc1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870164235 1012228536 /nfs/dbraw/zinc/22/85/36/1012228536.db2.gz NMMGBIJFBFSDHQ-UHFFFAOYSA-N -1 1 370.840 2.579 20 30 FFEDMM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c([O-])c(F)c1 ZINC001275427991 1012447899 /nfs/dbraw/zinc/44/78/99/1012447899.db2.gz CINCXPWPFMEFBG-LJQANCHMSA-N -1 1 363.408 2.931 20 30 FFEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001110891822 1017253494 /nfs/dbraw/zinc/25/34/94/1017253494.db2.gz BFTFJICQWGHMRQ-ZACQAIPSSA-N -1 1 370.497 2.883 20 30 FFEDMM N#CC1(CCCOC(=O)c2nn(-c3ccccc3)cc2[O-])CCOCC1 ZINC000801203206 1018736276 /nfs/dbraw/zinc/73/62/76/1018736276.db2.gz PNAXLFRXNOMJTI-UHFFFAOYSA-N -1 1 355.394 2.835 20 30 FFEDMM N#Cc1cnccc1CN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000828632657 1032784076 /nfs/dbraw/zinc/78/40/76/1032784076.db2.gz OQLRKAZGGFWLBS-HNNXBMFYSA-N -1 1 360.339 2.563 20 30 FFEDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(CCC#N)cc3)cc21 ZINC000901739579 1019417586 /nfs/dbraw/zinc/41/75/86/1019417586.db2.gz AFSMVWNEOMXHLQ-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM N#Cc1ccc(OC2CCN(C(=O)c3cnc(C4CC4)[n-]c3=O)CC2)cc1 ZINC000900571739 1020509615 /nfs/dbraw/zinc/50/96/15/1020509615.db2.gz HYFBQEAQHWSVDG-UHFFFAOYSA-N -1 1 364.405 2.615 20 30 FFEDMM CC#CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000801103579 1020769047 /nfs/dbraw/zinc/76/90/47/1020769047.db2.gz JHHVYBRAEHUGMS-UHFFFAOYSA-N -1 1 373.390 2.666 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)OCC ZINC001116591721 1021299598 /nfs/dbraw/zinc/29/95/98/1021299598.db2.gz HQICCJAHUOOCMV-SSDOTTSWSA-N -1 1 358.268 2.841 20 30 FFEDMM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)CCOC1 ZINC001119072567 1022554590 /nfs/dbraw/zinc/55/45/90/1022554590.db2.gz JLZPSCZAVBXDRD-HNNXBMFYSA-N -1 1 358.847 2.537 20 30 FFEDMM C#CC1CCN(c2nnc(-c3ccc(Cl)cc3[O-])n2CCOC)CC1 ZINC001122417604 1023254320 /nfs/dbraw/zinc/25/43/20/1023254320.db2.gz HCBQHLUMJXQKMI-UHFFFAOYSA-N -1 1 360.845 2.800 20 30 FFEDMM N#Cc1ccnnc1N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001120868292 1023502117 /nfs/dbraw/zinc/50/21/17/1023502117.db2.gz ODBIQXXEQJNKIW-GFCCVEGCSA-N -1 1 361.327 2.652 20 30 FFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000757467197 1023822697 /nfs/dbraw/zinc/82/26/97/1023822697.db2.gz COCFAJSEVLXYNX-RQOWECAXSA-N -1 1 357.318 2.976 20 30 FFEDMM CCNC(=O)COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1OC ZINC000757467810 1023823161 /nfs/dbraw/zinc/82/31/61/1023823161.db2.gz MTNPODMCJKTMEA-DAXSKMNVSA-N -1 1 371.389 2.517 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCS[C@@H](c2ccccc2)C1 ZINC001121554430 1023846170 /nfs/dbraw/zinc/84/61/70/1023846170.db2.gz WHKXIBPYIZZIPO-OAHLLOKOSA-N -1 1 368.466 2.854 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C ZINC001121659181 1023908830 /nfs/dbraw/zinc/90/88/30/1023908830.db2.gz DEWULWJXJVGWRH-DZGCQCFKSA-N -1 1 350.426 2.942 20 30 FFEDMM CCOC(=O)C1=C(NC(=O)CC2(C#N)CC2)[N-]c2ccccc2N=C1C ZINC000839216252 1026622685 /nfs/dbraw/zinc/62/26/85/1026622685.db2.gz VEBHSIJBOOQUEH-UHFFFAOYSA-N -1 1 352.394 2.789 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC001158980138 1027215704 /nfs/dbraw/zinc/21/57/04/1027215704.db2.gz VURJWSFTMMFXKB-RCBQFDQVSA-N -1 1 371.437 2.782 20 30 FFEDMM Cc1ccc([C@@H](C#N)c2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)nn2)cc1 ZINC001159192470 1027304806 /nfs/dbraw/zinc/30/48/06/1027304806.db2.gz PQKNNNDXOOZQCC-GFCCVEGCSA-N -1 1 358.365 2.556 20 30 FFEDMM COc1ccc2c(c1)[nH]c(C(=O)Nc1cc(C#N)c(F)cc1[O-])cc2=O ZINC001154118684 1028153462 /nfs/dbraw/zinc/15/34/62/1028153462.db2.gz SJBHWTLDGLKULU-UHFFFAOYSA-N -1 1 353.309 2.505 20 30 FFEDMM COc1ccc(CNc2nc(SC)nc(Cl)c2/C=N/[O-])nc1OC ZINC001161437816 1028172842 /nfs/dbraw/zinc/17/28/42/1028172842.db2.gz ZXINOQLVXOKPHY-REZTVBANSA-N -1 1 369.834 2.684 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NCc2ccnc(OC(C)C)n2)n1 ZINC001161603556 1028250600 /nfs/dbraw/zinc/25/06/00/1028250600.db2.gz AFACJQXTHOSBGB-CNHKJKLMSA-N -1 1 368.850 2.849 20 30 FFEDMM CC(C)(NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C(=O)c1ccccc1 ZINC001154556924 1028350793 /nfs/dbraw/zinc/35/07/93/1028350793.db2.gz GVIYBKCHOGCNRS-UHFFFAOYSA-N -1 1 359.385 2.791 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N3CCC(c4ccccn4)CC3)cc(=O)c2c1 ZINC001154555620 1028351406 /nfs/dbraw/zinc/35/14/06/1028351406.db2.gz FWAHNCWMFVSCAR-UHFFFAOYSA-N -1 1 358.401 2.815 20 30 FFEDMM Cc1cc(C#N)c(F)cc1NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228810 1028635725 /nfs/dbraw/zinc/63/57/25/1028635725.db2.gz YHVBQXYGBQFIPN-UHFFFAOYSA-N -1 1 354.293 2.776 20 30 FFEDMM O=C(NCCNc1cc(/C=N/[O-])cc(C(F)(F)F)c1)c1ccncc1 ZINC001163970323 1029130053 /nfs/dbraw/zinc/13/00/53/1029130053.db2.gz FRUCITLJPWJFRN-AUEPDCJTSA-N -1 1 352.316 2.750 20 30 FFEDMM N#CCn1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc2ccccc21 ZINC000783501670 1030127787 /nfs/dbraw/zinc/12/77/87/1030127787.db2.gz GDOGQLBTMIKCGK-UHFFFAOYSA-N -1 1 350.330 2.616 20 30 FFEDMM C#CCN(CC#N)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000799088446 1031640603 /nfs/dbraw/zinc/64/06/03/1031640603.db2.gz VLSYTKQBOOUXKW-UHFFFAOYSA-N -1 1 369.327 2.522 20 30 FFEDMM N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC001151582800 1031989103 /nfs/dbraw/zinc/98/91/03/1031989103.db2.gz NOPUXFPXECSBER-UHFFFAOYSA-N -1 1 368.773 2.734 20 30 FFEDMM CC(C)OC(=O)C[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)C(=O)OC(C)C ZINC001223889067 1033627182 /nfs/dbraw/zinc/62/71/82/1033627182.db2.gz XQCXKGIKQTZSPS-XSOQZJFOSA-N -1 1 373.352 2.779 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](O/C(=N\[O-])c2cc(F)ccc2F)C1 ZINC001223888232 1033628307 /nfs/dbraw/zinc/62/83/07/1033628307.db2.gz DDFXKGWLEVXEEC-UBZAQDOUSA-N -1 1 367.352 2.876 20 30 FFEDMM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225665665 1034359953 /nfs/dbraw/zinc/35/99/53/1034359953.db2.gz CXERJTOEGUJJIN-GFCCVEGCSA-N -1 1 351.359 2.640 20 30 FFEDMM COc1ccc(CC(=O)c2ccc([O-])cc2O[C@@H]2CCN(CC#N)C2)cc1 ZINC001226544030 1034727898 /nfs/dbraw/zinc/72/78/98/1034727898.db2.gz GHSNNJOKIVZUKH-GOSISDBHSA-N -1 1 366.417 2.803 20 30 FFEDMM C=C1O[C@H](C)C(=O)C1Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580288 1035616002 /nfs/dbraw/zinc/61/60/02/1035616002.db2.gz LHXOXFYLXSJRAL-SECBINFHSA-N -1 1 350.326 2.766 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc([O-])c(C#N)c2C#N)[C@@H](F)C1 ZINC001227614404 1035637345 /nfs/dbraw/zinc/63/73/45/1035637345.db2.gz FNFFDWDZDIZGEP-XJKSGUPXSA-N -1 1 361.373 2.862 20 30 FFEDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CC(C#N)C3)c2)nc1C ZINC001232451750 1035696074 /nfs/dbraw/zinc/69/60/74/1035696074.db2.gz ODTJWSVQEAOCIH-UHFFFAOYSA-N -1 1 357.435 2.956 20 30 FFEDMM C=C(C)C(=O)OC[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860810 1036366416 /nfs/dbraw/zinc/36/64/16/1036366416.db2.gz WWXSEZMAVBTDCH-SSDOTTSWSA-N -1 1 350.249 2.601 20 30 FFEDMM 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COc1ncc(Nc2ccc(Cl)c(F)c2C#N)cc1[N-]S(C)(=O)=O ZINC001216158244 1041966711 /nfs/dbraw/zinc/96/67/11/1041966711.db2.gz ROTYMGNCXADFMJ-UHFFFAOYSA-N -1 1 370.793 2.869 20 30 FFEDMM Cn1ccnc1C(C#N)=C([O-])c1cnn2c1nc(C1CC1)cc2C(F)F ZINC001263331988 1042245249 /nfs/dbraw/zinc/24/52/49/1042245249.db2.gz DGGTVSYPPZLPLB-SNVBAGLBSA-N -1 1 356.336 2.768 20 30 FFEDMM CSc1nc(C)c(CCC(=O)[C@H](C#N)c2ncc(F)cc2F)c(=O)[n-]1 ZINC001263664410 1042425058 /nfs/dbraw/zinc/42/50/58/1042425058.db2.gz BZBMXZSXHOPHCL-NSHDSACASA-N -1 1 364.377 2.695 20 30 FFEDMM N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC001309846879 1043553232 /nfs/dbraw/zinc/55/32/32/1043553232.db2.gz NDYBLKJPUKFTEI-RDJZCZTQSA-N -1 1 364.373 2.589 20 30 FFEDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318910556 1044935442 /nfs/dbraw/zinc/93/54/42/1044935442.db2.gz XDMKWNBJQWWSNS-UHFFFAOYSA-N -1 1 357.435 2.564 20 30 FFEDMM C=C[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC001320581645 1045431395 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FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001340224877 1050632835 /nfs/dbraw/zinc/63/28/35/1050632835.db2.gz ZUEYBKLPCAKKGU-OLZOCXBDSA-N -1 1 354.458 2.986 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)C[C@H]1CCCCO1 ZINC001342041158 1050639024 /nfs/dbraw/zinc/63/90/24/1050639024.db2.gz XVNKFNGTJNXYAX-CQSZACIVSA-N -1 1 370.457 2.509 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 ZINC001340311431 1050710478 /nfs/dbraw/zinc/71/04/78/1050710478.db2.gz CJUNUVFRPFYWDA-AWEZNQCLSA-N -1 1 370.848 2.563 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 ZINC001340311431 1050710491 /nfs/dbraw/zinc/71/04/91/1050710491.db2.gz CJUNUVFRPFYWDA-AWEZNQCLSA-N -1 1 370.848 2.563 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(Cc1ccc(OC)cc1)C1CC1 ZINC001340415438 1050811125 /nfs/dbraw/zinc/81/11/25/1050811125.db2.gz PAAHZNVAORIFEU-UHFFFAOYSA-N -1 1 366.425 2.737 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC2(CCSCC2)CC1 ZINC001340493539 1050891192 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ZINC001565899861 1076788360 /nfs/dbraw/zinc/78/83/60/1076788360.db2.gz SBOBCIXCBFDMEM-CVEARBPZSA-N -1 1 363.446 2.930 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c(F)c1 ZINC001567372479 1077021838 /nfs/dbraw/zinc/02/18/38/1077021838.db2.gz RDDBSROOFPGEBH-AWEZNQCLSA-N -1 1 374.738 2.522 20 30 FFEDMM C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1CC ZINC001573271044 1077650363 /nfs/dbraw/zinc/65/03/63/1077650363.db2.gz ASWUDZBJYWTAMI-JKSUJKDBSA-N -1 1 357.454 2.665 20 30 FFEDMM N#CCSc1ccccc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001586304488 1079595460 /nfs/dbraw/zinc/59/54/60/1079595460.db2.gz HKXYJEUZNRYXEK-UHFFFAOYSA-N -1 1 366.406 2.647 20 30 FFEDMM C#CC[C@H](NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccccc1 ZINC001588334449 1079988541 /nfs/dbraw/zinc/98/85/41/1079988541.db2.gz XVXJDCRRNGVIDJ-JTQLQIEISA-N -1 1 373.829 2.863 20 30 FFEDMM C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3CC(=O)[O-])n[nH]2)c1C ZINC001588475321 1080042410 /nfs/dbraw/zinc/04/24/10/1080042410.db2.gz XZLWOEHHXRGARY-AWEZNQCLSA-N -1 1 371.441 2.545 20 30 FFEDMM C=C[C@@H](CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001588518339 1080070195 /nfs/dbraw/zinc/07/01/95/1080070195.db2.gz APNZRXNJTRKOPP-AWEZNQCLSA-N -1 1 360.421 2.901 20 30 FFEDMM C=C[C@@H](CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001588518339 1080070201 /nfs/dbraw/zinc/07/02/01/1080070201.db2.gz APNZRXNJTRKOPP-AWEZNQCLSA-N -1 1 360.421 2.901 20 30 FFEDMM C=C[C@H](C(=O)[O-])N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001588664650 1080146808 /nfs/dbraw/zinc/14/68/08/1080146808.db2.gz STPMDCPUBJUAPL-DSYKOEDSSA-N -1 1 353.209 2.728 20 30 FFEDMM C=CCc1cc(CNc2snc(C)c2-c2nn[n-]n2)cc(OC)c1OC ZINC001588695476 1080159494 /nfs/dbraw/zinc/15/94/94/1080159494.db2.gz WQHFXIBILOKOPR-UHFFFAOYSA-N -1 1 372.454 2.989 20 30 FFEDMM C=CCn1c(Sc2ccnc(-c3nnn[n-]3)c2)nnc1-c1cccs1 ZINC001588711914 1080166173 /nfs/dbraw/zinc/16/61/73/1080166173.db2.gz YATAUAOZRDYTGD-UHFFFAOYSA-N -1 1 368.451 2.919 20 30 FFEDMM C=CCn1c(Sc2ccnc(-c3nn[n-]n3)c2)nnc1-c1cccs1 ZINC001588711914 1080166174 /nfs/dbraw/zinc/16/61/74/1080166174.db2.gz YATAUAOZRDYTGD-UHFFFAOYSA-N -1 1 368.451 2.919 20 30 FFEDMM C=C[C@H]1CCCCN1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001588719100 1080169499 /nfs/dbraw/zinc/16/94/99/1080169499.db2.gz LBAHREHYRKFJHX-YJBOKZPZSA-N -1 1 355.438 2.762 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cccc3c2OCO3)o1 ZINC001588781631 1080193887 /nfs/dbraw/zinc/19/38/87/1080193887.db2.gz HGDCISNNXPKJRT-UHFFFAOYSA-N -1 1 369.385 2.618 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnn(-c3ccccc3)c2)o1 ZINC001589774007 1080730630 /nfs/dbraw/zinc/73/06/30/1080730630.db2.gz RHGOMFOOGJMULX-UHFFFAOYSA-N -1 1 363.385 2.610 20 30 FFEDMM CC1CCN(c2nc([O-])c(CC(=O)Nc3ccc(C#N)cc3)s2)CC1 ZINC000102936410 250128685 /nfs/dbraw/zinc/12/86/85/250128685.db2.gz JAJXDEZOZDFXBV-HNNXBMFYSA-N -1 1 356.451 2.617 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1N1CCOCC1 ZINC000181180687 251253531 /nfs/dbraw/zinc/25/35/31/251253531.db2.gz ILSWWFVGAXUKMD-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(COCC(F)(F)F)c2)o1 ZINC000287989276 257136689 /nfs/dbraw/zinc/13/66/89/257136689.db2.gz ZDSZXIMJLQTPLP-UHFFFAOYSA-N -1 1 374.340 2.709 20 30 FFEDMM Cc1nsc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)c1C#N ZINC000291256888 257394320 /nfs/dbraw/zinc/39/43/20/257394320.db2.gz YNEGKFAZCJNUMV-UHFFFAOYSA-N -1 1 362.842 2.645 20 30 FFEDMM C#CC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC000366919325 512250169 /nfs/dbraw/zinc/25/01/69/512250169.db2.gz CBHZMAHFBDTOIT-IBGZPJMESA-N -1 1 372.428 2.564 20 30 FFEDMM C[C@H](C#N)CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000045851223 507034025 /nfs/dbraw/zinc/03/40/25/507034025.db2.gz DQWFYYJARKJJPY-CQSZACIVSA-N -1 1 357.435 2.719 20 30 FFEDMM CCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000068241089 507158693 /nfs/dbraw/zinc/15/86/93/507158693.db2.gz ACHCQCDWOQIFSG-UHFFFAOYSA-N -1 1 361.398 2.612 20 30 FFEDMM CCn1c(C2CCN(C(=O)COc3ccccc3C#N)CC2)n[n-]c1=S ZINC000068452610 507236622 /nfs/dbraw/zinc/23/66/22/507236622.db2.gz QFKVDNGQGSSHLA-UHFFFAOYSA-N -1 1 371.466 2.617 20 30 FFEDMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000024427442 507411066 /nfs/dbraw/zinc/41/10/66/507411066.db2.gz VVCDYCJDNLXRMQ-UHFFFAOYSA-N -1 1 358.423 2.889 20 30 FFEDMM CCOC(=O)CSc1nnc([N-]C(=O)c2sccc2C#N)s1 ZINC000052028203 507794507 /nfs/dbraw/zinc/79/45/07/507794507.db2.gz VSFCMLJRMASLHA-UHFFFAOYSA-N -1 1 354.438 2.763 20 30 FFEDMM COc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1[N-]S(C)(=O)=O ZINC000029817903 507791494 /nfs/dbraw/zinc/79/14/94/507791494.db2.gz NVAYCBCIVXUDPY-UHFFFAOYSA-N -1 1 373.434 2.510 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000075276370 508093437 /nfs/dbraw/zinc/09/34/37/508093437.db2.gz JICNKWOVRZXETF-LBPRGKRZSA-N -1 1 363.421 2.733 20 30 FFEDMM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000075536057 508114915 /nfs/dbraw/zinc/11/49/15/508114915.db2.gz RBBDJEWAKIRDII-SSDOTTSWSA-N -1 1 351.329 2.961 20 30 FFEDMM C=CCNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075962051 508147201 /nfs/dbraw/zinc/14/72/01/508147201.db2.gz QAEYQVSSSPLTJC-UHFFFAOYSA-N -1 1 359.451 2.815 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnc2c(cnn2C(C)C)c1 ZINC000076935953 508263990 /nfs/dbraw/zinc/26/39/90/508263990.db2.gz CUCCFNGPDMRWRD-UHFFFAOYSA-N -1 1 355.423 2.993 20 30 FFEDMM CC[C@@](C)(C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127587846 508473484 /nfs/dbraw/zinc/47/34/84/508473484.db2.gz ATBGTXDSGGHHSG-SFHVURJKSA-N -1 1 357.435 2.909 20 30 FFEDMM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nc(C)cs1 ZINC000157284553 508547092 /nfs/dbraw/zinc/54/70/92/508547092.db2.gz IRNBKBKZZSPLST-LLVKDONJSA-N -1 1 366.424 2.661 20 30 FFEDMM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cn1 ZINC000135369254 508595223 /nfs/dbraw/zinc/59/52/23/508595223.db2.gz SZIWJROWBXPHTJ-UHFFFAOYSA-N -1 1 372.381 2.692 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000135911505 508658194 /nfs/dbraw/zinc/65/81/94/508658194.db2.gz QHTYZFIEWBVTJK-UHFFFAOYSA-N -1 1 367.430 2.951 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc(N(C)C)oc2c1 ZINC000150960702 508931222 /nfs/dbraw/zinc/93/12/22/508931222.db2.gz YYHCUBWCSYMCGS-UHFFFAOYSA-N -1 1 356.407 2.875 20 30 FFEDMM C=CCCS(=O)(=O)[N-]c1cc(F)c(I)c(F)c1 ZINC000120148366 508937935 /nfs/dbraw/zinc/93/79/35/508937935.db2.gz MCRIKGBBBMFSCL-UHFFFAOYSA-N -1 1 373.162 2.887 20 30 FFEDMM C[C@@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160389622 508980316 /nfs/dbraw/zinc/98/03/16/508980316.db2.gz VXSRDXGADKTBBD-LURJTMIESA-N -1 1 355.616 2.822 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C#N)CC3)c2)cc1 ZINC000160872674 509042390 /nfs/dbraw/zinc/04/23/90/509042390.db2.gz NPMCFHZBERDWCK-UHFFFAOYSA-N -1 1 355.419 2.582 20 30 FFEDMM CC#CCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000126548320 509094425 /nfs/dbraw/zinc/09/44/25/509094425.db2.gz CLVIHWHAORLJTE-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127011331 509158465 /nfs/dbraw/zinc/15/84/65/509158465.db2.gz QKPPTZBVJVKDIZ-OQPBUACISA-N -1 1 362.377 2.736 20 30 FFEDMM CC[C@@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000162095491 509172220 /nfs/dbraw/zinc/17/22/20/509172220.db2.gz BGECXHQOBNNAIX-SFHVURJKSA-N -1 1 357.435 2.909 20 30 FFEDMM COc1ccc(C[C@@H](C)CNC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000189070250 509397415 /nfs/dbraw/zinc/39/74/15/509397415.db2.gz KJKLODKAZWUISD-CYBMUJFWSA-N -1 1 354.406 2.890 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nc(C(C)(C)C)no1 ZINC000163998130 509451320 /nfs/dbraw/zinc/45/13/20/509451320.db2.gz PGCDUSFTBGOAJD-JTQLQIEISA-N -1 1 366.418 2.558 20 30 FFEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(C)o1 ZINC000180074279 509738256 /nfs/dbraw/zinc/73/82/56/509738256.db2.gz PHWXDFLARCTBDI-ZDUSSCGKSA-N -1 1 354.815 2.779 20 30 FFEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000193359270 509880184 /nfs/dbraw/zinc/88/01/84/509880184.db2.gz RDYFYMDPSPECSE-UHFFFAOYSA-N -1 1 355.419 2.680 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000265384390 510024422 /nfs/dbraw/zinc/02/44/22/510024422.db2.gz RCXZLOVABZVSOR-XCLFUZPHSA-N -1 1 365.437 2.684 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000171345331 510094439 /nfs/dbraw/zinc/09/44/39/510094439.db2.gz OABQBODKHMOCKG-UHFFFAOYSA-N -1 1 358.419 2.937 20 30 FFEDMM N#CC(=C([O-])c1ccnc(O[C@@H]2CCOC2)c1)c1cnc2ccccc2n1 ZINC000190883481 510392095 /nfs/dbraw/zinc/39/20/95/510392095.db2.gz YOPVHUMLZYZNSO-CABCVRRESA-N -1 1 360.373 2.683 20 30 FFEDMM CCOC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000191018276 510467935 /nfs/dbraw/zinc/46/79/35/510467935.db2.gz VPHGDSNMUOEXES-MRXNPFEDSA-N -1 1 356.353 2.827 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1[O-] ZINC000188594286 510837762 /nfs/dbraw/zinc/83/77/62/510837762.db2.gz XUYYFZXKHXQVHF-UHFFFAOYSA-N -1 1 367.361 2.856 20 30 FFEDMM N#C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCN1Cc1ccccc1 ZINC000281054845 511704146 /nfs/dbraw/zinc/70/41/46/511704146.db2.gz XZVJMAPZGZYVHA-CQSZACIVSA-N -1 1 357.360 2.521 20 30 FFEDMM CC(C)(CC#N)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000296425673 511737781 /nfs/dbraw/zinc/73/77/81/511737781.db2.gz VVKXJUHNKVJFEA-UHFFFAOYSA-N -1 1 361.261 2.514 20 30 FFEDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000325855755 511852251 /nfs/dbraw/zinc/85/22/51/511852251.db2.gz GTZSQXWPFAHWCD-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000434971097 513480344 /nfs/dbraw/zinc/48/03/44/513480344.db2.gz HDKGSEYBUXHUTA-UHFFFAOYSA-N -1 1 369.362 2.657 20 30 FFEDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435720435 513667295 /nfs/dbraw/zinc/66/72/95/513667295.db2.gz BEVPKVIENLAUAX-UHFFFAOYSA-N -1 1 357.435 2.807 20 30 FFEDMM N#CC1(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000416358964 513731194 /nfs/dbraw/zinc/73/11/94/513731194.db2.gz NAXSCFWDAXDHGO-UHFFFAOYSA-N -1 1 369.446 2.911 20 30 FFEDMM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442957895 513827801 /nfs/dbraw/zinc/82/78/01/513827801.db2.gz VEDOCYOXQZZAJS-INIZCTEOSA-N -1 1 367.430 2.726 20 30 FFEDMM Cc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(OC[C@@H]2CCOC2)c1 ZINC000443279992 513919480 /nfs/dbraw/zinc/91/94/80/513919480.db2.gz VUEAAWVIUBABEH-OAHLLOKOSA-N -1 1 366.417 2.918 20 30 FFEDMM COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000443285568 513920070 /nfs/dbraw/zinc/92/00/70/513920070.db2.gz OFJBHGVVBKFOMX-NSHDSACASA-N -1 1 364.361 2.813 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1ccn(C)c2=O ZINC000443536372 513989240 /nfs/dbraw/zinc/98/92/40/513989240.db2.gz ZHVAASADUGHKQQ-UHFFFAOYSA-N -1 1 353.403 2.519 20 30 FFEDMM COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443617952 514006418 /nfs/dbraw/zinc/00/64/18/514006418.db2.gz YOUVLORQIALVPB-UHFFFAOYSA-N -1 1 373.796 2.637 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)n(-c2ccncc2)n1 ZINC000437323611 514140917 /nfs/dbraw/zinc/14/09/17/514140917.db2.gz KTDBKZYLVPBWBD-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n(-c2ccncc2)n1 ZINC000437338016 514144395 /nfs/dbraw/zinc/14/43/95/514144395.db2.gz DLMWKEPXIDIXLR-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(OC(C)C)c2)ccc1C#N ZINC000432484511 514206730 /nfs/dbraw/zinc/20/67/30/514206730.db2.gz GLCDKEQUGTVJQD-UHFFFAOYSA-N -1 1 373.434 2.554 20 30 FFEDMM CC1(C)C[C@@]1(C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000427898255 514340536 /nfs/dbraw/zinc/34/05/36/514340536.db2.gz SUOVCVCZNLYGEC-IBGZPJMESA-N -1 1 369.446 2.909 20 30 FFEDMM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)n[nH]1 ZINC000489206009 514751885 /nfs/dbraw/zinc/75/18/85/514751885.db2.gz ODEGCILXVUSQQF-BDAKNGLRSA-N -1 1 360.443 2.503 20 30 FFEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)o1 ZINC000489610128 514915129 /nfs/dbraw/zinc/91/51/29/514915129.db2.gz LPNTVPCRECMQQL-HNNXBMFYSA-N -1 1 352.387 2.519 20 30 FFEDMM C=CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467200353 514937208 /nfs/dbraw/zinc/93/72/08/514937208.db2.gz FKFXLMJVNQLOPT-LBPRGKRZSA-N -1 1 372.450 2.650 20 30 FFEDMM CC#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000498609867 514993663 /nfs/dbraw/zinc/99/36/63/514993663.db2.gz GKHNNWPRGHUKDF-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477054400 515305146 /nfs/dbraw/zinc/30/51/46/515305146.db2.gz CKKWVIITULSHRK-UHFFFAOYSA-N -1 1 360.377 2.591 20 30 FFEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477410082 515446085 /nfs/dbraw/zinc/44/60/85/515446085.db2.gz BJSXPUUAIGBEJQ-UHFFFAOYSA-N -1 1 360.391 2.764 20 30 FFEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000505143701 515457218 /nfs/dbraw/zinc/45/72/18/515457218.db2.gz SJNMNQSCMCFHLQ-AWEZNQCLSA-N -1 1 357.435 2.862 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1cc(C)cc(C)c1 ZINC000469046977 515644389 /nfs/dbraw/zinc/64/43/89/515644389.db2.gz VOEPXSHOVZPBOE-GOSISDBHSA-N -1 1 372.446 2.676 20 30 FFEDMM CC1(C#N)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000482616524 515738544 /nfs/dbraw/zinc/73/85/44/515738544.db2.gz UWXDLNTYFQRBOY-UHFFFAOYSA-N -1 1 373.409 2.612 20 30 FFEDMM Cc1csc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)n1 ZINC000550824138 516441428 /nfs/dbraw/zinc/44/14/28/516441428.db2.gz ATKDYSOFKKBPBK-UHFFFAOYSA-N -1 1 372.269 2.564 20 30 FFEDMM C[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557797049 516445422 /nfs/dbraw/zinc/44/54/22/516445422.db2.gz CAIXPIASZSJXJU-JTQLQIEISA-N -1 1 369.240 2.823 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000547906924 516628465 /nfs/dbraw/zinc/62/84/65/516628465.db2.gz YDFUGTIKMDZVDE-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000548197057 516820194 /nfs/dbraw/zinc/82/01/94/516820194.db2.gz PTXPFMYUOGVYPO-UHFFFAOYSA-N -1 1 350.783 2.640 20 30 FFEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1cnccn1 ZINC000555550686 516971270 /nfs/dbraw/zinc/97/12/70/516971270.db2.gz PXUFXECNGWAWNN-UHFFFAOYSA-N -1 1 353.407 2.602 20 30 FFEDMM Cc1c(=O)[n-]c(SCC(=O)NC2(C#N)CCC2)nc1-c1ccccc1 ZINC000527119186 517512865 /nfs/dbraw/zinc/51/28/65/517512865.db2.gz DLSDYHAUGXLQLT-UHFFFAOYSA-N -1 1 354.435 2.812 20 30 FFEDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000516221589 517622183 /nfs/dbraw/zinc/62/21/83/517622183.db2.gz LXKVUGPJJDWVQY-UHFFFAOYSA-N -1 1 361.398 2.590 20 30 FFEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000560332183 517707021 /nfs/dbraw/zinc/70/70/21/517707021.db2.gz XWRDSZMFEWJGEL-GFCCVEGCSA-N -1 1 352.423 2.614 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCC(=O)N3)n1 ZINC000516795675 517847323 /nfs/dbraw/zinc/84/73/23/517847323.db2.gz TVGPOOMPMZMDIN-GFCCVEGCSA-N -1 1 369.402 2.695 20 30 FFEDMM N#Cc1ccc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1[O-] ZINC000554111748 518065197 /nfs/dbraw/zinc/06/51/97/518065197.db2.gz HJERIVQYHNFKPA-XJKSGUPXSA-N -1 1 354.431 2.905 20 30 FFEDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccccc2CC#N)ccc1F ZINC000584872869 518517449 /nfs/dbraw/zinc/51/74/49/518517449.db2.gz YXYINXSVCLSFHG-UHFFFAOYSA-N -1 1 362.382 2.788 20 30 FFEDMM N#CCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000588150506 518736701 /nfs/dbraw/zinc/73/67/01/518736701.db2.gz ZFSGXKQQORGIGC-UHFFFAOYSA-N -1 1 365.455 2.589 20 30 FFEDMM CCc1nc(S[C@@H]2CCN(c3sccc3C#N)C2=O)[n-]c(=O)c1C ZINC000565243464 518859409 /nfs/dbraw/zinc/85/94/09/518859409.db2.gz YQNAXXHZXICSRK-GFCCVEGCSA-N -1 1 360.464 2.884 20 30 FFEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2ccncc2)no1 ZINC000589175486 518939478 /nfs/dbraw/zinc/93/94/78/518939478.db2.gz LFYNCCWNULSXMK-INIZCTEOSA-N -1 1 363.377 2.836 20 30 FFEDMM COc1ccc(C(C)(C)CNC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589179641 518941517 /nfs/dbraw/zinc/94/15/17/518941517.db2.gz OWBQRBQBJQGJBJ-UHFFFAOYSA-N -1 1 354.406 2.989 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c1 ZINC000589190215 518946035 /nfs/dbraw/zinc/94/60/35/518946035.db2.gz IORGBXRPVCWZRQ-UHFFFAOYSA-N -1 1 373.294 2.538 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000589288641 518973182 /nfs/dbraw/zinc/97/31/82/518973182.db2.gz BMEGUIBLPMEVGN-CYBMUJFWSA-N -1 1 359.304 2.674 20 30 FFEDMM N#Cc1cccc(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)n1 ZINC000589331216 518982337 /nfs/dbraw/zinc/98/23/37/518982337.db2.gz AWANIFHTBNEGBZ-UHFFFAOYSA-N -1 1 374.223 2.842 20 30 FFEDMM N#Cc1ccncc1C(=O)Nc1cc(I)ccc1[O-] ZINC000589844670 519091954 /nfs/dbraw/zinc/09/19/54/519091954.db2.gz NIRHLAQHDNGEPL-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)o1 ZINC000574422922 519150304 /nfs/dbraw/zinc/15/03/04/519150304.db2.gz FXWIMEIQDQCBAB-UHFFFAOYSA-N -1 1 360.313 2.571 20 30 FFEDMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccc(CC#N)cc3)n2)cc1 ZINC000571849486 519305918 /nfs/dbraw/zinc/30/59/18/519305918.db2.gz RUPDWLLITSSVFR-UHFFFAOYSA-N -1 1 368.418 2.520 20 30 FFEDMM COc1ccc(-c2nc(S(=O)(=O)Cc3ccc(CC#N)cc3)n[n-]2)cc1 ZINC000571849486 519305924 /nfs/dbraw/zinc/30/59/24/519305924.db2.gz RUPDWLLITSSVFR-UHFFFAOYSA-N -1 1 368.418 2.520 20 30 FFEDMM C=CCc1ccccc1OC[C@H](O)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000571888449 519330735 /nfs/dbraw/zinc/33/07/35/519330735.db2.gz MBZSCEZESZULSA-MRXNPFEDSA-N -1 1 359.422 2.886 20 30 FFEDMM N#CCN1CCC([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000590746694 519346303 /nfs/dbraw/zinc/34/63/03/519346303.db2.gz DYFUEZAAHVKPPB-UHFFFAOYSA-N -1 1 369.899 2.821 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)c(C(F)(F)F)cc2F)o1 ZINC000578389311 519567205 /nfs/dbraw/zinc/56/72/05/519567205.db2.gz KOWKNCUNGIUIMB-UHFFFAOYSA-N -1 1 366.267 2.927 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H](C#N)CC(C)C ZINC000608823716 520138570 /nfs/dbraw/zinc/13/85/70/520138570.db2.gz GXFXTBJASBOQHP-HNNXBMFYSA-N -1 1 353.426 2.540 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CN2CCCC2=O)c1 ZINC000610123662 520549269 /nfs/dbraw/zinc/54/92/69/520549269.db2.gz GICGDRKITCLFOQ-UHFFFAOYSA-N -1 1 369.446 2.790 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cccc(COC[C@H]3CCCO3)c2)cc1[O-] ZINC000598508369 520667053 /nfs/dbraw/zinc/66/70/53/520667053.db2.gz HEDORHPRESPOLE-LJQANCHMSA-N -1 1 366.417 2.889 20 30 FFEDMM CCNC(=O)N1CCc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc21 ZINC000614299094 520896568 /nfs/dbraw/zinc/89/65/68/520896568.db2.gz CNJMUKOMPHXMMQ-UHFFFAOYSA-N -1 1 350.378 2.608 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1 ZINC000614363347 520926071 /nfs/dbraw/zinc/92/60/71/520926071.db2.gz XJZKFLZXWFXRPJ-UHFFFAOYSA-N -1 1 365.389 2.517 20 30 FFEDMM CCOCCCNC(=O)c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614364021 520928087 /nfs/dbraw/zinc/92/80/87/520928087.db2.gz CESWYIXUTKQOLO-UHFFFAOYSA-N -1 1 367.405 2.673 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)c1 ZINC000619461680 521579870 /nfs/dbraw/zinc/57/98/70/521579870.db2.gz PZLHSMLAAMVPSR-UHFFFAOYSA-N -1 1 369.446 2.676 20 30 FFEDMM COCCOCc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000619461940 521581354 /nfs/dbraw/zinc/58/13/54/521581354.db2.gz FYNOMQXHHVVLAP-UHFFFAOYSA-N -1 1 360.435 2.716 20 30 FFEDMM C=CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2ccnn2C)cc1OC ZINC000630462236 522863480 /nfs/dbraw/zinc/86/34/80/522863480.db2.gz RACAPYBHCDIGHC-HNNXBMFYSA-N -1 1 365.817 2.562 20 30 FFEDMM N#CC1(NC(=O)c2cccc(C(=O)[O-])c2)CCN(Cc2ccccc2)CC1 ZINC000821320391 598205405 /nfs/dbraw/zinc/20/54/05/598205405.db2.gz ODGHMHUOBVGHNH-UHFFFAOYSA-N -1 1 363.417 2.673 20 30 FFEDMM C=CC1CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)CC1 ZINC000735402484 598693567 /nfs/dbraw/zinc/69/35/67/598693567.db2.gz BZIPOCXXECIVCF-UHFFFAOYSA-N -1 1 370.482 2.899 20 30 FFEDMM CC(C)Oc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820173422 599339396 /nfs/dbraw/zinc/33/93/96/599339396.db2.gz FSUMARZKLQJDJH-UHFFFAOYSA-N -1 1 371.426 2.567 20 30 FFEDMM CC(C)Oc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000820173422 599339399 /nfs/dbraw/zinc/33/93/99/599339399.db2.gz FSUMARZKLQJDJH-UHFFFAOYSA-N -1 1 371.426 2.567 20 30 FFEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)S1 ZINC000822294378 599377420 /nfs/dbraw/zinc/37/74/20/599377420.db2.gz YSDULJDUUFBICJ-MDWZMJQESA-N -1 1 366.406 2.968 20 30 FFEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)S1 ZINC000822294378 599377423 /nfs/dbraw/zinc/37/74/23/599377423.db2.gz YSDULJDUUFBICJ-MDWZMJQESA-N -1 1 366.406 2.968 20 30 FFEDMM CC[C@@H](C#N)Oc1cc(CNc2cccc(-c3nnn[n-]3)n2)ccc1OC ZINC000736309481 599438166 /nfs/dbraw/zinc/43/81/66/599438166.db2.gz OWKOACNBDCMZBZ-ZDUSSCGKSA-N -1 1 365.397 2.563 20 30 FFEDMM CC[C@@H](C#N)Oc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccc1OC ZINC000736309481 599438169 /nfs/dbraw/zinc/43/81/69/599438169.db2.gz OWKOACNBDCMZBZ-ZDUSSCGKSA-N -1 1 365.397 2.563 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000825966668 601872415 /nfs/dbraw/zinc/87/24/15/601872415.db2.gz JRJNCYOUJWXIFC-LRDDRELGSA-N -1 1 363.483 2.966 20 30 FFEDMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1OCC#N ZINC000763291735 602119149 /nfs/dbraw/zinc/11/91/49/602119149.db2.gz XDRPCBCAXHYWHB-UHFFFAOYSA-N -1 1 364.354 2.536 20 30 FFEDMM COc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1C#N ZINC000826203648 607559199 /nfs/dbraw/zinc/55/91/99/607559199.db2.gz ZFKPSRPBJHCRID-UHFFFAOYSA-N -1 1 357.377 2.907 20 30 FFEDMM COc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1C#N ZINC000826203648 607559200 /nfs/dbraw/zinc/55/92/00/607559200.db2.gz ZFKPSRPBJHCRID-UHFFFAOYSA-N -1 1 357.377 2.907 20 30 FFEDMM CC[C@@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2cccnc2)ccc1OC ZINC000828585967 605001938 /nfs/dbraw/zinc/00/19/38/605001938.db2.gz BIAWMQCXVLXZNA-YJBOKZPZSA-N -1 1 355.394 2.687 20 30 FFEDMM N#CC(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccccc1Cl ZINC000833960130 605487579 /nfs/dbraw/zinc/48/75/79/605487579.db2.gz GGCZQVCKVCJQCW-NEPJUHHUSA-N -1 1 363.801 2.767 20 30 FFEDMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000833827627 605901765 /nfs/dbraw/zinc/90/17/65/605901765.db2.gz BVWPOGCWGDLKIK-TZMCWYRMSA-N -1 1 356.344 2.915 20 30 FFEDMM Brc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC000819688798 606369543 /nfs/dbraw/zinc/36/95/43/606369543.db2.gz MGMRGCJLUNPKIK-UHFFFAOYSA-N -1 1 350.205 2.532 20 30 FFEDMM Brc1ccc(CNN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819688150 606369820 /nfs/dbraw/zinc/36/98/20/606369820.db2.gz DSMMQINFIOUXGJ-UHFFFAOYSA-N -1 1 363.244 2.814 20 30 FFEDMM C=CCn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1C1CC1 ZINC000819764461 606444313 /nfs/dbraw/zinc/44/43/13/606444313.db2.gz HMGJFHWZXFOHHE-UHFFFAOYSA-N -1 1 360.834 2.721 20 30 FFEDMM C=CCn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1C1CC1 ZINC000819764461 606444314 /nfs/dbraw/zinc/44/43/14/606444314.db2.gz HMGJFHWZXFOHHE-UHFFFAOYSA-N -1 1 360.834 2.721 20 30 FFEDMM CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)c2ccccc2C(=O)[O-])o1 ZINC000819783509 606856166 /nfs/dbraw/zinc/85/61/66/606856166.db2.gz YQFOEBWLLVTYGI-UHFFFAOYSA-N -1 1 355.358 2.512 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cn(C)c3ccccc23)o1 ZINC000824352735 607886403 /nfs/dbraw/zinc/88/64/03/607886403.db2.gz LCEFNNJQQBQMIR-UHFFFAOYSA-N -1 1 350.386 2.916 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccn2Cc2cccs2)o1 ZINC000826323123 607887148 /nfs/dbraw/zinc/88/71/48/607887148.db2.gz RCRUIWAGDOAQCO-UHFFFAOYSA-N -1 1 354.399 2.520 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2nc(Cl)cs2)o1 ZINC000824142858 607964879 /nfs/dbraw/zinc/96/48/79/607964879.db2.gz YFBHNFIQWIUBSB-UHFFFAOYSA-N -1 1 352.811 2.708 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1Cl ZINC000156742722 728858159 /nfs/dbraw/zinc/85/81/59/728858159.db2.gz GZTQJARBIUDRRM-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM C#C[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000744182130 735337465 /nfs/dbraw/zinc/33/74/65/735337465.db2.gz LPTOKEWABLCZOJ-ZDUSSCGKSA-N -1 1 359.403 2.675 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000746491806 735487601 /nfs/dbraw/zinc/48/76/01/735487601.db2.gz MHSXNIZSPLLESY-UHFFFAOYSA-N -1 1 365.386 2.968 20 30 FFEDMM CC(C)OCCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000069833478 728202278 /nfs/dbraw/zinc/20/22/78/728202278.db2.gz HDVNKTDWXVQZBW-LBPRGKRZSA-N -1 1 359.451 2.855 20 30 FFEDMM C[C@@H]1CCCN(c2nc([O-])c(CC(=O)Nc3ccc(C#N)cc3)s2)C1 ZINC000077397493 728274365 /nfs/dbraw/zinc/27/43/65/728274365.db2.gz QDXJLBIILGCJHR-DOMZBBRYSA-N -1 1 356.451 2.617 20 30 FFEDMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)NC1(C#N)CCCCC1 ZINC000116109681 728569721 /nfs/dbraw/zinc/56/97/21/728569721.db2.gz GZAXUTTUPBZKKX-JTQLQIEISA-N -1 1 352.337 2.558 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc(F)c1F ZINC000179027256 729176333 /nfs/dbraw/zinc/17/63/33/729176333.db2.gz OTCLASKSXMRWJW-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM C#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000191152766 729414789 /nfs/dbraw/zinc/41/47/89/729414789.db2.gz AHMFRNNDUYHGEI-UHFFFAOYSA-N -1 1 356.447 2.809 20 30 FFEDMM COc1sc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Br ZINC000255502877 729641407 /nfs/dbraw/zinc/64/14/07/729641407.db2.gz CMKXIDGPHQHWIQ-MVZIDQBPSA-N -1 1 371.208 2.747 20 30 FFEDMM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3nc(Cl)cs3)sc2C1 ZINC000857678698 730406162 /nfs/dbraw/zinc/40/61/62/730406162.db2.gz LHJBXHRZTFKRFF-UHFFFAOYSA-N -1 1 366.855 2.887 20 30 FFEDMM C[C@@H](C#N)CN(C(=O)c1ccc(I)cc1[O-])C1CC1 ZINC000866944878 731122615 /nfs/dbraw/zinc/12/26/15/731122615.db2.gz BYMZSCPVDBDDIK-VIFPVBQESA-N -1 1 370.190 2.761 20 30 FFEDMM C[C@@]1(C#N)CCCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC000867362608 731175292 /nfs/dbraw/zinc/17/52/92/731175292.db2.gz IJQYHCXVVPGDHL-AWEZNQCLSA-N -1 1 370.190 2.763 20 30 FFEDMM CC(C)n1cc(S(=O)(=O)[N-][C@H](c2cccc(C#N)c2)C(F)(F)F)cn1 ZINC000867899099 731239923 /nfs/dbraw/zinc/23/99/23/731239923.db2.gz SVTMOBBJSIKIMY-CQSZACIVSA-N -1 1 372.372 2.918 20 30 FFEDMM O=C(Nc1cc(F)c(F)c(F)c1F)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000871268438 731613859 /nfs/dbraw/zinc/61/38/59/731613859.db2.gz MBQGGFDZMRAVLB-CLZZGJSISA-N -1 1 358.213 2.639 20 30 FFEDMM C=CCCn1cc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)nn1 ZINC000877705874 732416841 /nfs/dbraw/zinc/41/68/41/732416841.db2.gz YLXUJUIUKAUUCK-UHFFFAOYSA-N -1 1 361.877 2.531 20 30 FFEDMM O=S1(=O)[N-]/C(=N/Cc2nc(-c3ccc(Cl)cc3)no2)c2ccccc21 ZINC000731787413 734697182 /nfs/dbraw/zinc/69/71/82/734697182.db2.gz MMRRIGKUDAQYAV-UHFFFAOYSA-N -1 1 374.809 2.629 20 30 FFEDMM COc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000734080300 734873258 /nfs/dbraw/zinc/87/32/58/734873258.db2.gz NZMMKPDITBILTH-JTQLQIEISA-N -1 1 365.176 2.753 20 30 FFEDMM C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747254569 735550289 /nfs/dbraw/zinc/55/02/89/735550289.db2.gz FRHVIOGFPFMSJR-UHFFFAOYSA-N -1 1 364.423 2.850 20 30 FFEDMM C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747254569 735550292 /nfs/dbraw/zinc/55/02/92/735550292.db2.gz FRHVIOGFPFMSJR-UHFFFAOYSA-N -1 1 364.423 2.850 20 30 FFEDMM CCc1nc(C)c(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000748254805 735630797 /nfs/dbraw/zinc/63/07/97/735630797.db2.gz HINNEWLKXMSCPX-UHFFFAOYSA-N -1 1 368.440 2.625 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2cnn3c2OCC(C)(C)C3)c(Cl)c1 ZINC000901963805 735880375 /nfs/dbraw/zinc/88/03/75/735880375.db2.gz YGMWDVYVNVUWOP-UHFFFAOYSA-N -1 1 365.842 2.737 20 30 FFEDMM C#CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000756973340 736379094 /nfs/dbraw/zinc/37/90/94/736379094.db2.gz ACNXUBMCSINZSN-HNNXBMFYSA-N -1 1 355.375 2.509 20 30 FFEDMM C=C(C)C[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124051 736888028 /nfs/dbraw/zinc/88/80/28/736888028.db2.gz KJRWGFPPQWXYMW-HUUCEWRRSA-N -1 1 353.850 2.661 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000766482395 737233639 /nfs/dbraw/zinc/23/36/39/737233639.db2.gz KHIJFUHHFVUEPE-UHFFFAOYSA-N -1 1 355.206 2.544 20 30 FFEDMM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000766623920 737246974 /nfs/dbraw/zinc/24/69/74/737246974.db2.gz VUUBJJLTAZBSIH-SNVBAGLBSA-N -1 1 366.208 2.956 20 30 FFEDMM Cn1cc(S(=O)(=O)[N-]C2(C#N)CCC(C(C)(C)C)CC2)nc1Cl ZINC000768881180 737471287 /nfs/dbraw/zinc/47/12/87/737471287.db2.gz GVHSNAOCPYAHFV-UHFFFAOYSA-N -1 1 358.895 2.850 20 30 FFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916004948 737670226 /nfs/dbraw/zinc/67/02/26/737670226.db2.gz YTYTULXSUPYNDN-VERVWZFWSA-N -1 1 368.402 2.670 20 30 FFEDMM CCCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000814822130 741867973 /nfs/dbraw/zinc/86/79/73/741867973.db2.gz HTWJVNNAEWBVMX-UHFFFAOYSA-N -1 1 362.411 2.614 20 30 FFEDMM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1C ZINC000773979477 737950863 /nfs/dbraw/zinc/95/08/63/737950863.db2.gz ILOXMJTZCAMUFN-VIFPVBQESA-N -1 1 367.192 2.697 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c(F)cc1F ZINC000775170811 738069404 /nfs/dbraw/zinc/06/94/04/738069404.db2.gz FMJSBVPFZHYXNU-MGPLVRAMSA-N -1 1 372.393 2.502 20 30 FFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793408373 739777957 /nfs/dbraw/zinc/77/79/57/739777957.db2.gz LIKCLZXSXDFJDI-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2)o1 ZINC000794591436 739908125 /nfs/dbraw/zinc/90/81/25/739908125.db2.gz ZTTLZBKXFUQMJM-UHFFFAOYSA-N -1 1 354.391 2.912 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@H]1c1ccccn1 ZINC000794916404 739942292 /nfs/dbraw/zinc/94/22/92/739942292.db2.gz WNKQPARKPIMORX-LBPRGKRZSA-N -1 1 360.395 2.592 20 30 FFEDMM CCC(Nc1ccccc1C#N)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000799136921 740391036 /nfs/dbraw/zinc/39/10/36/740391036.db2.gz QFNHGBVYHUCBPX-FYWRMAATSA-N -1 1 356.451 2.534 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)ccc1Cl ZINC000811833852 741565146 /nfs/dbraw/zinc/56/51/46/741565146.db2.gz VTYYQMRPMLWPFR-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM C#CCCCCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817490483 742153676 /nfs/dbraw/zinc/15/36/76/742153676.db2.gz QZBLEYNYKKZHKV-CQSZACIVSA-N -1 1 352.356 2.816 20 30 FFEDMM C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844565374 748052403 /nfs/dbraw/zinc/05/24/03/748052403.db2.gz GBIIJAVGTNLMGF-ABAIWWIYSA-N -1 1 357.483 2.742 20 30 FFEDMM CC(=NNC(=S)NC[C@H]1CCCO1)c1ccc([O-])c(Br)c1 ZINC000844566905 748052527 /nfs/dbraw/zinc/05/25/27/748052527.db2.gz KNKSHAFTYCJYJD-LLVKDONJSA-N -1 1 372.288 2.522 20 30 FFEDMM CC(=NNC(=S)NCC(F)(F)F)c1ccc([O-])c(Br)c1 ZINC000844578581 748054671 /nfs/dbraw/zinc/05/46/71/748054671.db2.gz CIKQLJCSSBVIOY-UHFFFAOYSA-N -1 1 370.194 2.905 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@]1(C#N)CC12CCCC2 ZINC000848340194 748906518 /nfs/dbraw/zinc/90/65/18/748906518.db2.gz ZWEIJSYHZJUOCI-XHBSWPGZSA-N -1 1 357.376 2.518 20 30 FFEDMM C#Cc1ccc(C(=O)NC2=C(C(=O)OCC)C(C)=Nc3ccccc3[N-]2)nc1 ZINC000728800548 971901965 /nfs/dbraw/zinc/90/19/65/971901965.db2.gz GDCOFBFRCILHLU-UHFFFAOYSA-N -1 1 374.400 2.786 20 30 FFEDMM C#CCN(CC#C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000175712267 958819973 /nfs/dbraw/zinc/81/99/73/958819973.db2.gz BXCCIUNKYTUVKO-UHFFFAOYSA-N -1 1 366.442 2.504 20 30 FFEDMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000134710921 959962077 /nfs/dbraw/zinc/96/20/77/959962077.db2.gz WDQBGHXXHVPBCG-KRWDZBQOSA-N -1 1 372.446 2.920 20 30 FFEDMM COc1cc(Nc2ccc(N3CCN(C)CC3)c(C#N)c2)ccc1C(=O)[O-] ZINC001174684999 1013273067 /nfs/dbraw/zinc/27/30/67/1013273067.db2.gz KSVSUUVSGBKHIR-UHFFFAOYSA-N -1 1 366.421 2.760 20 30 FFEDMM C=CC[C@H]1N(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCCC1(C)C ZINC000876299614 1014220225 /nfs/dbraw/zinc/22/02/25/1014220225.db2.gz CDFSHAALHXXXMG-OAHLLOKOSA-N -1 1 360.458 2.531 20 30 FFEDMM C=CCn1c(C2CCCC2)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908666057 981494131 /nfs/dbraw/zinc/49/41/31/981494131.db2.gz ZKDDBAATXNPHLX-CQSZACIVSA-N -1 1 370.457 2.967 20 30 FFEDMM C=C(C)C[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000910285453 981887044 /nfs/dbraw/zinc/88/70/44/981887044.db2.gz AFWFFMGEEFGASY-LPHOPBHVSA-N -1 1 358.482 2.865 20 30 FFEDMM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595009161 982932585 /nfs/dbraw/zinc/93/25/85/982932585.db2.gz FYBGWUBDOXKUIP-GWCFXTLKSA-N -1 1 355.350 2.847 20 30 FFEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595009161 982932594 /nfs/dbraw/zinc/93/25/94/982932594.db2.gz FYBGWUBDOXKUIP-GWCFXTLKSA-N -1 1 355.350 2.847 20 30 FFEDMM Cc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c([O-])c1 ZINC000150829092 984088096 /nfs/dbraw/zinc/08/80/96/984088096.db2.gz FCOPSLCLVPEQIK-UHFFFAOYSA-N -1 1 351.406 2.786 20 30 FFEDMM N#C[C@H](C(=O)[C@H]1C[C@@]12CCOC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000764758181 984696153 /nfs/dbraw/zinc/69/61/53/984696153.db2.gz LSHZQGIAUUMYKZ-HNYWDRBLSA-N -1 1 369.446 2.879 20 30 FFEDMM CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001594725482 987231944 /nfs/dbraw/zinc/23/19/44/987231944.db2.gz XTXQMKYBTOSSBV-GOEBONIOSA-N -1 1 354.410 2.887 20 30 FFEDMM CN(C)c1ccc(C#N)cc1CN1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001598307781 991278122 /nfs/dbraw/zinc/27/81/22/991278122.db2.gz KVMUFRSBFBFGIR-UHFFFAOYSA-N -1 1 354.410 2.690 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)C1 ZINC000809764365 994606215 /nfs/dbraw/zinc/60/62/15/994606215.db2.gz DUJQJKINOLNWDA-HXUWFJFHSA-N -1 1 371.437 2.737 20 30 FFEDMM C[C@@H]1[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CCCN1C(=O)OC(C)(C)C ZINC000809782743 994611742 /nfs/dbraw/zinc/61/17/42/994611742.db2.gz FZNBJXHEYUUZHP-MLGOLLRUSA-N -1 1 359.426 2.782 20 30 FFEDMM C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593286487 994645920 /nfs/dbraw/zinc/64/59/20/994645920.db2.gz UGFQHMUQTGSNHV-CJNGLKHVSA-N -1 1 353.378 2.888 20 30 FFEDMM C[C@@](NCc1cccc(C#N)n1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593305095 994758703 /nfs/dbraw/zinc/75/87/03/994758703.db2.gz VQPQVMXWVOZXTF-INIZCTEOSA-N -1 1 360.211 2.805 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)c1 ZINC000747615588 994848853 /nfs/dbraw/zinc/84/88/53/994848853.db2.gz BCRFYUQAZCEKKO-XFXZXTDPSA-N -1 1 371.414 2.686 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cccc(OCc2ccccc2)c1 ZINC000731157713 997720063 /nfs/dbraw/zinc/72/00/63/997720063.db2.gz PNTCESXBXGAOBA-UHFFFAOYSA-N -1 1 374.404 2.847 20 30 FFEDMM COC(=O)c1cc(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)ccc1C ZINC000844596968 998017446 /nfs/dbraw/zinc/01/74/46/998017446.db2.gz FDKCREPUYLQSLB-UHFFFAOYSA-N -1 1 350.378 2.906 20 30 FFEDMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCc3c(CC#N)cccc3C2)c1 ZINC001599450231 998080039 /nfs/dbraw/zinc/08/00/39/998080039.db2.gz BDZUTAWTLMGINK-FQEVSTJZSA-N -1 1 366.417 2.954 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1cc(F)c([O-])cc1F ZINC001144651413 1000188759 /nfs/dbraw/zinc/18/87/59/1000188759.db2.gz PUWPTKKOFNVNCC-MRXNPFEDSA-N -1 1 364.396 2.584 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)C1(c2ccc(Cl)cc2)CC(O)C1 ZINC001182939388 1002115499 /nfs/dbraw/zinc/11/54/99/1002115499.db2.gz FJAWWCJKPSVFBR-UHFFFAOYSA-N -1 1 359.813 2.558 20 30 FFEDMM CC(=O)/C=C(/C)NC(=O)c1cc(I)c(C)cc1[O-] ZINC001196140078 1003676958 /nfs/dbraw/zinc/67/69/58/1003676958.db2.gz GEIWZMXJZMTLKP-YVMONPNESA-N -1 1 359.163 2.528 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)n3c(=N)c(N)cnc3Cl)c2)c1 ZINC001196309121 1003731006 /nfs/dbraw/zinc/73/10/06/1003731006.db2.gz NAICVFDANVHMNM-UHFFFAOYSA-N -1 1 365.780 2.531 20 30 FFEDMM N#Cc1cccc(-c2cc(O)cc(C(=O)Nc3[n-]c(=O)nc4nc[nH]c43)c2)c1 ZINC001196329907 1003744006 /nfs/dbraw/zinc/74/40/06/1003744006.db2.gz IJOAYCIFWBBJEZ-UHFFFAOYSA-N -1 1 372.344 2.555 20 30 FFEDMM Cc1cc(N(C(=N)N)C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)n[nH]1 ZINC001196328301 1003744311 /nfs/dbraw/zinc/74/43/11/1003744311.db2.gz CKOMRPYDPYPXSF-UHFFFAOYSA-N -1 1 360.377 2.503 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001193112433 1004378408 /nfs/dbraw/zinc/37/84/08/1004378408.db2.gz TVLDFKIYODYZLW-JTQLQIEISA-N -1 1 358.345 2.853 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(cnn2Cc2ccc(F)cc2)c1 ZINC001193157335 1004393247 /nfs/dbraw/zinc/39/32/47/1004393247.db2.gz CDAXHVSZXFNTGM-LBPRGKRZSA-N -1 1 358.398 2.877 20 30 FFEDMM CC[C@H](C#N)Oc1cc(CNC(=O)C(=O)c2ccc([O-])cc2)ccc1OC ZINC000806854934 1004439690 /nfs/dbraw/zinc/43/96/90/1004439690.db2.gz UJJSCWIYFAOPPZ-MRXNPFEDSA-N -1 1 368.389 2.581 20 30 FFEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cncc(OCC(F)(F)F)n1 ZINC001198004522 1004440774 /nfs/dbraw/zinc/44/07/74/1004440774.db2.gz PMNOTQSCGBEJSH-UHFFFAOYSA-N -1 1 358.226 2.820 20 30 FFEDMM CC(C)(C)OC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)o2)CCCCC1 ZINC001193730237 1004556494 /nfs/dbraw/zinc/55/64/94/1004556494.db2.gz NQQGFOZNZMXLJC-UHFFFAOYSA-N -1 1 368.455 2.864 20 30 FFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(C#CBr)cc1 ZINC001194786155 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FFEDMM CC#C[C@H](CC)Oc1cc(C(=O)OC)cc([O-])c1I ZINC001234435261 1037036472 /nfs/dbraw/zinc/03/64/72/1037036472.db2.gz GUSAWAGZAAKAAT-JTQLQIEISA-N -1 1 374.174 2.964 20 30 FFEDMM COc1cc([O-])cc(OC(=O)C[C@@H](C)O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234774379 1037177363 /nfs/dbraw/zinc/17/73/63/1037177363.db2.gz GPHVIASEYUSTSW-FZKGZDJFSA-N -1 1 372.373 2.679 20 30 FFEDMM COc1cc([O-])cc(O[C@@H](C)CON)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234780989 1037179175 /nfs/dbraw/zinc/17/91/75/1037179175.db2.gz YNOQWUVAYCFHGM-ZCRIDZFUSA-N -1 1 359.378 2.660 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)c([O-])c2)[C@@H](C#N)C1 ZINC001231732930 1037857139 /nfs/dbraw/zinc/85/71/39/1037857139.db2.gz JZKJIAAEXXJPDN-ZDUSSCGKSA-N -1 1 351.834 2.990 20 30 FFEDMM COc1ncc(-c2cccc3sc(C#N)nc32)cc1[N-]S(C)(=O)=O ZINC001244796112 1038783841 /nfs/dbraw/zinc/78/38/41/1038783841.db2.gz OYDHDOHCXZXRGN-UHFFFAOYSA-N -1 1 360.420 2.610 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC001258143694 1039224499 /nfs/dbraw/zinc/22/44/99/1039224499.db2.gz WRBOBBCQDNLZNM-UHFFFAOYSA-N -1 1 364.242 2.669 20 30 FFEDMM C[C@](O)(CNC1=CC=C[CH]1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252343632 1039505207 /nfs/dbraw/zinc/50/52/07/1039505207.db2.gz VTAUJFSBAMOXPU-INIZCTEOSA-N -1 1 350.320 2.514 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1 ZINC001252510704 1039567001 /nfs/dbraw/zinc/56/70/01/1039567001.db2.gz BMRWDNQZNMPSOS-UHFFFAOYSA-N -1 1 352.419 2.798 20 30 FFEDMM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259081162 1039695736 /nfs/dbraw/zinc/69/57/36/1039695736.db2.gz BZRFEFNLXZVOIL-NSHDSACASA-N -1 1 365.373 2.526 20 30 FFEDMM C[C@@H]1Cc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2N(C)C1=O ZINC001259126281 1039732747 /nfs/dbraw/zinc/73/27/47/1039732747.db2.gz VVHDZNWAKRNDPR-GFCCVEGCSA-N -1 1 355.419 2.514 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccnc(OC(F)(F)F)c2)ccc1F ZINC001259413676 1039985670 /nfs/dbraw/zinc/98/56/70/1039985670.db2.gz VNLSPNVGRBXBGH-UHFFFAOYSA-N -1 1 361.276 2.792 20 30 FFEDMM Cc1cc(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc2o1 ZINC001259418585 1039987411 /nfs/dbraw/zinc/98/74/11/1039987411.db2.gz GKUPLKRMIVVTEA-UHFFFAOYSA-N -1 1 358.350 2.913 20 30 FFEDMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC001259417337 1039987958 /nfs/dbraw/zinc/98/79/58/1039987958.db2.gz PMKCKPRZPJQPIT-UHFFFAOYSA-N -1 1 361.398 2.636 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)ccc1F ZINC001259417949 1039987979 /nfs/dbraw/zinc/98/79/79/1039987979.db2.gz IYXIWIYDKJIGLN-UHFFFAOYSA-N -1 1 373.409 2.734 20 30 FFEDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259419371 1039989291 /nfs/dbraw/zinc/98/92/91/1039989291.db2.gz WBEDYYQYOFSUFY-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c2cccnc12 ZINC001259850998 1040243409 /nfs/dbraw/zinc/24/34/09/1040243409.db2.gz FDIYWJQDCZITDI-UHFFFAOYSA-N -1 1 353.359 2.636 20 30 FFEDMM CC(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260331856 1040539234 /nfs/dbraw/zinc/53/92/34/1040539234.db2.gz UYKBPJZUUDDMRQ-LBPRGKRZSA-N -1 1 367.215 2.944 20 30 FFEDMM C=C[C@@H]1C[C@]1([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)OCC ZINC001260473001 1040616248 /nfs/dbraw/zinc/61/62/48/1040616248.db2.gz OLCDRBMGEGDXDU-JMCQJSRRSA-N -1 1 370.279 2.841 20 30 FFEDMM C=C[C@H]1C[C@@]1([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)OCC ZINC001260473004 1040616348 /nfs/dbraw/zinc/61/63/48/1040616348.db2.gz OLCDRBMGEGDXDU-MADCSZMMSA-N -1 1 370.279 2.841 20 30 FFEDMM Cc1c(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cnn1-c1ccncc1 ZINC001263291553 1042224515 /nfs/dbraw/zinc/22/45/15/1042224515.db2.gz ACXBJFKNKSJVKB-HNNXBMFYSA-N -1 1 369.388 2.591 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCc2sccc2[C@H]1CC ZINC001263304141 1042231030 /nfs/dbraw/zinc/23/10/30/1042231030.db2.gz SWEVGFOTLHYYAJ-CYBMUJFWSA-N -1 1 370.486 2.533 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCc2sccc2[C@H]1CC ZINC001263304141 1042231034 /nfs/dbraw/zinc/23/10/34/1042231034.db2.gz SWEVGFOTLHYYAJ-CYBMUJFWSA-N -1 1 370.486 2.533 20 30 FFEDMM C=C(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC ZINC001309761487 1043512195 /nfs/dbraw/zinc/51/21/95/1043512195.db2.gz NFGUBHJZEHPIHZ-NSHDSACASA-N -1 1 352.239 2.780 20 30 FFEDMM N#Cc1cc(S(=O)(=O)NCCc2c(F)cc([O-])cc2F)ccc1Cl ZINC001309891010 1043575876 /nfs/dbraw/zinc/57/58/76/1043575876.db2.gz HBINXCMHVOCIQK-UHFFFAOYSA-N -1 1 372.780 2.716 20 30 FFEDMM CC(=O)NC[C@H]1CN(c2ccc(-c3ccc([O-])c(C#N)c3)c(F)c2)C(=O)O1 ZINC001242564743 1044752836 /nfs/dbraw/zinc/75/28/36/1044752836.db2.gz RFJXDYWXVMRBMA-HNNXBMFYSA-N -1 1 369.352 2.531 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(-c2ccccc2F)o1 ZINC001317961033 1045180991 /nfs/dbraw/zinc/18/09/91/1045180991.db2.gz MVBSZJPGHCJMBX-UHFFFAOYSA-N -1 1 370.361 2.965 20 30 FFEDMM CC(C)c1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001320711994 1045453962 /nfs/dbraw/zinc/45/39/62/1045453962.db2.gz MRUBHSGAEIJTLQ-UHFFFAOYSA-N -1 1 373.390 2.597 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c(F)c1 ZINC001325840086 1046658203 /nfs/dbraw/zinc/65/82/03/1046658203.db2.gz WJZMHJTYWJVZFH-AWEZNQCLSA-N -1 1 372.393 2.538 20 30 FFEDMM C=CC[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC001332130491 1048260969 /nfs/dbraw/zinc/26/09/69/1048260969.db2.gz FFOBKIXHSDIYFK-KBPBESRZSA-N -1 1 373.375 2.637 20 30 FFEDMM CCOC(=O)Nc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1C#N ZINC001295351857 1049918089 /nfs/dbraw/zinc/91/80/89/1049918089.db2.gz ANTNHCWOLQTKLF-UHFFFAOYSA-N -1 1 367.365 2.752 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC001342041064 1050638860 /nfs/dbraw/zinc/63/88/60/1050638860.db2.gz XEKODFSTTLETFA-OLZOCXBDSA-N -1 1 370.457 2.508 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(CC)C(C)C ZINC001340329561 1050727479 /nfs/dbraw/zinc/72/74/79/1050727479.db2.gz FUNXVGNGJYFSLJ-UHFFFAOYSA-N -1 1 365.441 2.923 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCOC(C)(C)C1 ZINC001342196400 1050787901 /nfs/dbraw/zinc/78/79/01/1050787901.db2.gz RDCVFCHDWWTGDU-UHFFFAOYSA-N -1 1 370.457 2.509 20 30 FFEDMM CCn1c(-c2nc(Cl)n[n-]2)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001340799305 1051145205 /nfs/dbraw/zinc/14/52/05/1051145205.db2.gz GIGUJJQZVWPMOU-JTQLQIEISA-N -1 1 356.821 2.806 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)[C@@H](C)CCSCC ZINC001342885938 1051495792 /nfs/dbraw/zinc/49/57/92/1051495792.db2.gz CDKHAFCDMLNKOR-LBPRGKRZSA-N -1 1 350.492 2.918 20 30 FFEDMM O=S1(=O)[N-]/C(=N/Cc2nnc(-c3cccc(Cl)c3)o2)c2ccccc21 ZINC001341385398 1051745855 /nfs/dbraw/zinc/74/58/55/1051745855.db2.gz TZMVFMSLQPUMII-UHFFFAOYSA-N -1 1 374.809 2.629 20 30 FFEDMM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnncc1[O-] ZINC001542729794 1071284922 /nfs/dbraw/zinc/28/49/22/1071284922.db2.gz RITGICOUDMQMRM-UHFFFAOYSA-N -1 1 366.190 2.912 20 30 FFEDMM COc1cc(C([O-])=C(C#N)c2cccc(F)n2)cnc1Br ZINC001343350791 1052178773 /nfs/dbraw/zinc/17/87/73/1052178773.db2.gz NINHZAYAZUARLV-VIFPVBQESA-N -1 1 350.147 2.877 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001356228371 1055403804 /nfs/dbraw/zinc/40/38/04/1055403804.db2.gz QIVXMOBSFIXWLD-UHFFFAOYSA-N -1 1 370.436 2.512 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001356228371 1055403808 /nfs/dbraw/zinc/40/38/08/1055403808.db2.gz QIVXMOBSFIXWLD-UHFFFAOYSA-N -1 1 370.436 2.512 20 30 FFEDMM C=CCn1c(C2CC=CC2)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001338973817 1055977528 /nfs/dbraw/zinc/97/75/28/1055977528.db2.gz OIXWYIALWDQMPS-AWEZNQCLSA-N -1 1 368.441 2.743 20 30 FFEDMM CCCCCCCCCNC(=S)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001200380184 1056535701 /nfs/dbraw/zinc/53/57/01/1056535701.db2.gz LQEWDAWSTOICEO-UHFFFAOYSA-N -1 1 352.464 2.801 20 30 FFEDMM CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000848110168 1059021852 /nfs/dbraw/zinc/02/18/52/1059021852.db2.gz VUFSOQMTOJNKNG-UHFFFAOYSA-N -1 1 371.437 2.737 20 30 FFEDMM C=CCSc1ccccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001454254817 1059469547 /nfs/dbraw/zinc/46/95/47/1059469547.db2.gz LCOVORVJRXNAJC-MRXNPFEDSA-N -1 1 351.435 2.997 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2COc3cccc(Br)c3C2)cc1[O-] ZINC001455113367 1059698212 /nfs/dbraw/zinc/69/82/12/1059698212.db2.gz NYOMBMNYJHZXSQ-GFCCVEGCSA-N -1 1 373.206 2.760 20 30 FFEDMM N#Cc1cc(C(=O)NCCc2c(F)cc([O-])cc2F)cnc1C(F)(F)F ZINC001456192958 1060046752 /nfs/dbraw/zinc/04/67/52/1060046752.db2.gz HLDNCHAZPMWERJ-UHFFFAOYSA-N -1 1 371.265 2.928 20 30 FFEDMM C#Cc1cccc(NC(=O)C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)c1 ZINC001355308878 1060096473 /nfs/dbraw/zinc/09/64/73/1060096473.db2.gz XYTUJLRGPMXUSG-UHFFFAOYSA-N -1 1 364.298 2.793 20 30 FFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Cl)cc1 ZINC001475247962 1061016735 /nfs/dbraw/zinc/01/67/35/1061016735.db2.gz NKJHRGUKCSSQOQ-GFCCVEGCSA-N -1 1 356.856 2.939 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2F)o1 ZINC001460785127 1061102542 /nfs/dbraw/zinc/10/25/42/1061102542.db2.gz BUTILBJRMXFWES-UHFFFAOYSA-N -1 1 365.386 2.619 20 30 FFEDMM N#Cc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C2 ZINC001475608450 1061163174 /nfs/dbraw/zinc/16/31/74/1061163174.db2.gz OBIXDLRZPYAYPF-CYBMUJFWSA-N -1 1 368.245 2.706 20 30 FFEDMM Cc1nn(C2CCOCC2)c(C)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001526587258 1061175644 /nfs/dbraw/zinc/17/56/44/1061175644.db2.gz MMQZPZBEVMMVMU-CYBMUJFWSA-N -1 1 361.833 2.728 20 30 FFEDMM Cc1cc2cc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C#N)ccc2[nH]1 ZINC001463663276 1062203053 /nfs/dbraw/zinc/20/30/53/1062203053.db2.gz JXESUPPQOBBMKO-UHFFFAOYSA-N -1 1 370.390 2.735 20 30 FFEDMM C[C@@H]1C[C@H]1[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576093278 1078195149 /nfs/dbraw/zinc/19/51/49/1078195149.db2.gz AESFPMBVERKAJM-DDHOLCJHSA-N -1 1 366.816 2.991 20 30 FFEDMM C[C@@H]1C[C@H]1[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576093278 1078195151 /nfs/dbraw/zinc/19/51/51/1078195151.db2.gz AESFPMBVERKAJM-DDHOLCJHSA-N -1 1 366.816 2.991 20 30 FFEDMM N#Cc1cccc([N+](=O)[O-])c1NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001581875763 1079011949 /nfs/dbraw/zinc/01/19/49/1079011949.db2.gz OIGUVSBYZFCBNA-UHFFFAOYSA-N -1 1 357.280 2.537 20 30 FFEDMM N#Cc1cccc([N+](=O)[O-])c1NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001581875763 1079011952 /nfs/dbraw/zinc/01/19/52/1079011952.db2.gz OIGUVSBYZFCBNA-UHFFFAOYSA-N -1 1 357.280 2.537 20 30 FFEDMM CCn1nccc1[C@H]1OCCC[C@@H]1C=NNc1cnnc([O-])c1Cl ZINC001552452441 1075076751 /nfs/dbraw/zinc/07/67/51/1075076751.db2.gz LJDQEPDEHYLFGA-YGRLFVJLSA-N -1 1 350.810 2.618 20 30 FFEDMM N#CC1(NC(=O)c2ccc(I)cc2[O-])CCCCC1 ZINC001584455738 1079353864 /nfs/dbraw/zinc/35/38/64/1079353864.db2.gz HADPQZSXFHPLRV-UHFFFAOYSA-N -1 1 370.190 2.953 20 30 FFEDMM CCOC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC001558397481 1075998390 /nfs/dbraw/zinc/99/83/90/1075998390.db2.gz VAYNDCOCMYUOCQ-MRXNPFEDSA-N -1 1 374.343 2.966 20 30 FFEDMM N#Cc1ccnc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC001559925078 1076203123 /nfs/dbraw/zinc/20/31/23/1076203123.db2.gz KRXDGYWBDUTLMR-HNNXBMFYSA-N -1 1 360.339 2.563 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001565899414 1076788323 /nfs/dbraw/zinc/78/83/23/1076788323.db2.gz HHOOOFDPIOVISW-GJZGRUSLSA-N -1 1 352.350 2.607 20 30 FFEDMM C=CCN(C(=O)c1ccc([O-])cn1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001567605648 1077038871 /nfs/dbraw/zinc/03/88/71/1077038871.db2.gz CHNJUJCHTWWGMV-GOSISDBHSA-N -1 1 354.406 2.590 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001567920058 1077060108 /nfs/dbraw/zinc/06/01/08/1077060108.db2.gz UPIMGBCVUBVSLK-LLVKDONJSA-N -1 1 364.373 2.517 20 30 FFEDMM N#Cc1nc(-c2ccco2)oc1N1CCN(CCC2(C(=O)[O-])CCC2)CC1 ZINC001574492900 1078002314 /nfs/dbraw/zinc/00/23/14/1078002314.db2.gz DSXKZAYNSXYKRO-UHFFFAOYSA-N -1 1 370.409 2.573 20 30 FFEDMM C#Cc1ccc([C@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC001588373201 1079996176 /nfs/dbraw/zinc/99/61/76/1079996176.db2.gz DRBPVMHBLKGODH-ZDUSSCGKSA-N -1 1 362.267 2.901 20 30 FFEDMM C#Cc1ccc([C@H](OC(=O)c2coc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC001588373201 1079996182 /nfs/dbraw/zinc/99/61/82/1079996182.db2.gz DRBPVMHBLKGODH-ZDUSSCGKSA-N -1 1 362.267 2.901 20 30 FFEDMM C=C[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)(C)C ZINC001588525355 1080078359 /nfs/dbraw/zinc/07/83/59/1080078359.db2.gz GOOWXUZKHAEHJQ-CYBMUJFWSA-N -1 1 359.430 2.661 20 30 FFEDMM C=CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001588727619 1080173836 /nfs/dbraw/zinc/17/38/36/1080173836.db2.gz DLHRUXBJXGBCBJ-SFHVURJKSA-N -1 1 374.462 2.949 20 30 FFEDMM C=CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001588727619 1080173839 /nfs/dbraw/zinc/17/38/39/1080173839.db2.gz DLHRUXBJXGBCBJ-SFHVURJKSA-N -1 1 374.462 2.949 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001588781198 1080193104 /nfs/dbraw/zinc/19/31/04/1080193104.db2.gz KXFKUBZFNUEKRT-UHFFFAOYSA-N -1 1 356.346 2.722 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cn(C)nc2C2CCCC2)o1 ZINC001589774279 1080731355 /nfs/dbraw/zinc/73/13/55/1080731355.db2.gz WLNXRLSFLDLPPH-UHFFFAOYSA-N -1 1 369.433 2.815 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001589956562 1080902238 /nfs/dbraw/zinc/90/22/38/1080902238.db2.gz PUSNOBKJXMVJQR-BBWFWOEESA-N -1 1 371.437 2.768 20 30 FFEDMM CC1(C)CC[C@H](CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c2ccccc21 ZINC001590091512 1081003589 /nfs/dbraw/zinc/00/35/89/1081003589.db2.gz ZFQOPILHPOLQDU-GFCCVEGCSA-N -1 1 360.425 2.795 20 30 FFEDMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1)C(C)=O ZINC000032627030 506272074 /nfs/dbraw/zinc/27/20/74/506272074.db2.gz RJYLABCPMFNJLF-UHFFFAOYSA-N -1 1 357.435 2.727 20 30 FFEDMM COc1c([O-])c(CN2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000373209850 512222312 /nfs/dbraw/zinc/22/23/12/512222312.db2.gz MUYQSYRWPHBFDE-QGZVFWFLSA-N -1 1 369.377 2.754 20 30 FFEDMM N#CC(=C([O-])c1cccc(OCC(N)=O)c1)c1nc2ccccc2s1 ZINC000041499116 506525681 /nfs/dbraw/zinc/52/56/81/506525681.db2.gz RNTUXYBPINARQF-ZDUSSCGKSA-N -1 1 351.387 2.650 20 30 FFEDMM N#CCOc1ccc(C=CC(=O)NCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000067070457 506746375 /nfs/dbraw/zinc/74/63/75/506746375.db2.gz HWWCGNJUJTVUGP-FPYGCLRLSA-N -1 1 355.423 2.508 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(OC)c2)n1 ZINC000067895252 507044076 /nfs/dbraw/zinc/04/40/76/507044076.db2.gz YKRUCBMAAQULQF-LLVKDONJSA-N -1 1 360.391 2.827 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)c1 ZINC000057124041 507178274 /nfs/dbraw/zinc/17/82/74/507178274.db2.gz ZUJYXCGPUQGTRR-UHFFFAOYSA-N -1 1 363.391 2.544 20 30 FFEDMM N#CCSCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058143463 507374141 /nfs/dbraw/zinc/37/41/41/507374141.db2.gz JPBFUFNZCHQALC-UHFFFAOYSA-N -1 1 361.448 2.683 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](C)C#N)cc2)cc1 ZINC000078598153 507887074 /nfs/dbraw/zinc/88/70/74/507887074.db2.gz DQNOREICSUVBBE-AWEZNQCLSA-N -1 1 357.435 2.685 20 30 FFEDMM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000078980392 507921571 /nfs/dbraw/zinc/92/15/71/507921571.db2.gz BNMUOFJMJFXNAG-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1csnn1 ZINC000076205105 508169984 /nfs/dbraw/zinc/16/99/84/508169984.db2.gz MIAROANYFVLZBA-UHFFFAOYSA-N -1 1 351.189 2.722 20 30 FFEDMM CCCc1cc(=O)[n-]c(S[C@H]2CCN(c3sccc3C#N)C2=O)n1 ZINC000083090550 508236675 /nfs/dbraw/zinc/23/66/75/508236675.db2.gz ANAKAMQIVVODEI-LBPRGKRZSA-N -1 1 360.464 2.553 20 30 FFEDMM N#C[C@@H](C(=O)c1cscn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000103329421 508308895 /nfs/dbraw/zinc/30/88/95/508308895.db2.gz MZEKWVWVTVZFIP-VIFPVBQESA-N -1 1 356.432 2.810 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000114674089 508335519 /nfs/dbraw/zinc/33/55/19/508335519.db2.gz GWLTXAHZUOZQAB-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000077701794 508354404 /nfs/dbraw/zinc/35/44/04/508354404.db2.gz VLABZSSLAOPFBO-UHFFFAOYSA-N -1 1 363.826 2.762 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c(F)c1 ZINC000156960534 508503165 /nfs/dbraw/zinc/50/31/65/508503165.db2.gz FVIARKJKOMMODC-UHFFFAOYSA-N -1 1 363.345 2.522 20 30 FFEDMM CC#CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000154478464 508793026 /nfs/dbraw/zinc/79/30/26/508793026.db2.gz ZMQPXVSVCMSFJV-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)C#N)c2)cc1F ZINC000125830587 509035164 /nfs/dbraw/zinc/03/51/64/509035164.db2.gz QJQQXWLPHAEQPG-LBPRGKRZSA-N -1 1 361.398 2.577 20 30 FFEDMM CN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000120864988 509078831 /nfs/dbraw/zinc/07/88/31/509078831.db2.gz ZOBZLMPUJWKRRJ-UHFFFAOYSA-N -1 1 363.826 2.736 20 30 FFEDMM N#CCN1CCC(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000151821164 509090183 /nfs/dbraw/zinc/09/01/83/509090183.db2.gz HLUBSWWQDNWCDA-UHFFFAOYSA-N -1 1 368.311 2.569 20 30 FFEDMM C[C@@H](CC#N)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000121403159 509172114 /nfs/dbraw/zinc/17/21/14/509172114.db2.gz YGSHOMPJWSLZDT-ZDUSSCGKSA-N -1 1 358.423 2.911 20 30 FFEDMM CCOC(=O)[C@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000189170203 509447084 /nfs/dbraw/zinc/44/70/84/509447084.db2.gz VNZUVTAQQVLETN-HXUWFJFHSA-N -1 1 352.390 2.515 20 30 FFEDMM N#C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CC1 ZINC000179556160 509510639 /nfs/dbraw/zinc/51/06/39/509510639.db2.gz VLDDIKARZGGLBI-MRXNPFEDSA-N -1 1 371.343 2.955 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cn1 ZINC000176462694 509525698 /nfs/dbraw/zinc/52/56/98/509525698.db2.gz ASQYBBCEHQAVEY-UHFFFAOYSA-N -1 1 365.374 2.890 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1[O-] ZINC000190043219 509902606 /nfs/dbraw/zinc/90/26/06/509902606.db2.gz YOGLTKDUTXADBK-MRXNPFEDSA-N -1 1 365.437 2.602 20 30 FFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)c1 ZINC000186985518 509987512 /nfs/dbraw/zinc/98/75/12/509987512.db2.gz RSLWATAMOBSBTH-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000187246796 510148760 /nfs/dbraw/zinc/14/87/60/510148760.db2.gz DDULPZMKRAXNSO-UHFFFAOYSA-N -1 1 365.342 2.609 20 30 FFEDMM N#Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c[nH]1 ZINC000181396356 510390700 /nfs/dbraw/zinc/39/07/00/510390700.db2.gz NNIUZVIWNISFMF-GFCCVEGCSA-N -1 1 363.402 2.553 20 30 FFEDMM CC(C)(C)c1nnsc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000191443639 510663404 /nfs/dbraw/zinc/66/34/04/510663404.db2.gz CONSRCNGOBYWSJ-UHFFFAOYSA-N -1 1 367.438 2.599 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)cc1 ZINC000195115806 510676106 /nfs/dbraw/zinc/67/61/06/510676106.db2.gz WRDKFMBMLGVNNZ-UHFFFAOYSA-N -1 1 358.810 2.971 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000195115806 510676113 /nfs/dbraw/zinc/67/61/13/510676113.db2.gz WRDKFMBMLGVNNZ-UHFFFAOYSA-N -1 1 358.810 2.971 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)ccc1Cl ZINC000188592502 510837410 /nfs/dbraw/zinc/83/74/10/510837410.db2.gz GUPODTSUTDFYKM-UHFFFAOYSA-N -1 1 364.810 2.790 20 30 FFEDMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccnc2C#N)c2ccccn2)c1 ZINC000365405701 511431093 /nfs/dbraw/zinc/43/10/93/511431093.db2.gz OGKOHRLGDXOMSX-LJQANCHMSA-N -1 1 364.430 2.725 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000281890116 512001644 /nfs/dbraw/zinc/00/16/44/512001644.db2.gz WGTSCHAGVVGUQU-WFASDCNBSA-N -1 1 369.259 2.935 20 30 FFEDMM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)[C@]12CCCO2 ZINC000329515186 512062182 /nfs/dbraw/zinc/06/21/82/512062182.db2.gz MFGUELWGLKPDCT-QMTMVMCOSA-N -1 1 357.410 2.675 20 30 FFEDMM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c3nc(C)ccc3c2=O)[C@]12CCCO2 ZINC000329515186 512062193 /nfs/dbraw/zinc/06/21/93/512062193.db2.gz MFGUELWGLKPDCT-QMTMVMCOSA-N -1 1 357.410 2.675 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435723768 513667906 /nfs/dbraw/zinc/66/79/06/513667906.db2.gz QPWPDBGTAXTYBV-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2C)ccc1C#N ZINC000442228384 513686947 /nfs/dbraw/zinc/68/69/47/513686947.db2.gz IURONKPBGSAOJO-UHFFFAOYSA-N -1 1 370.434 2.506 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccc2ccccc2c1 ZINC000451389930 513717142 /nfs/dbraw/zinc/71/71/42/513717142.db2.gz XNCWHTFDUUFXSW-KRWDZBQOSA-N -1 1 372.446 2.667 20 30 FFEDMM Cc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(OC[C@H]2CCOC2)c1 ZINC000443279990 513918942 /nfs/dbraw/zinc/91/89/42/513918942.db2.gz VUEAAWVIUBABEH-HNNXBMFYSA-N -1 1 366.417 2.918 20 30 FFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCSCC1 ZINC000416939128 514055923 /nfs/dbraw/zinc/05/59/23/514055923.db2.gz MIOSCYNYDJLIGA-GFCCVEGCSA-N -1 1 359.904 2.937 20 30 FFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC000416956910 514066850 /nfs/dbraw/zinc/06/68/50/514066850.db2.gz KKYTUXCEBRHCIP-CQSZACIVSA-N -1 1 370.496 2.755 20 30 FFEDMM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000452021286 514140528 /nfs/dbraw/zinc/14/05/28/514140528.db2.gz IOROVFFTJYWITI-SSDOTTSWSA-N -1 1 374.709 2.769 20 30 FFEDMM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000433519156 514508776 /nfs/dbraw/zinc/50/87/76/514508776.db2.gz KFRRTMNELWCXQQ-UHFFFAOYSA-N -1 1 360.391 2.508 20 30 FFEDMM N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000470788269 514610037 /nfs/dbraw/zinc/61/00/37/514610037.db2.gz FJYCOKRTWVMGDY-UHFFFAOYSA-N -1 1 367.365 2.758 20 30 FFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000508238514 514717600 /nfs/dbraw/zinc/71/76/00/514717600.db2.gz HDCAOTJSXAHUEF-LLVKDONJSA-N -1 1 365.238 2.606 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475791293 514810018 /nfs/dbraw/zinc/81/00/18/514810018.db2.gz WKCFZICDWQPNIJ-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM O=S(=O)([N-]CCC(F)(F)F)c1cccc(OC(F)(F)F)c1F ZINC000489567548 514898121 /nfs/dbraw/zinc/89/81/21/514898121.db2.gz XFKWEZGNXYCFPD-UHFFFAOYSA-N -1 1 355.231 2.955 20 30 FFEDMM COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467140458 514914145 /nfs/dbraw/zinc/91/41/45/514914145.db2.gz DZAYSLJRXUYRAJ-JTQLQIEISA-N -1 1 352.362 2.885 20 30 FFEDMM COC(=O)C[C@](C)(NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(F)c1 ZINC000476769800 515189014 /nfs/dbraw/zinc/18/90/14/515189014.db2.gz ULUHXSOYULZOBB-IBGZPJMESA-N -1 1 356.353 2.611 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000463789564 515617181 /nfs/dbraw/zinc/61/71/81/515617181.db2.gz KLUGZQBPRYJANX-LBPRGKRZSA-N -1 1 374.418 2.631 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C)cc(C)c1C(=O)[O-] ZINC000463796220 515618662 /nfs/dbraw/zinc/61/86/62/515618662.db2.gz FBLNMZSMOJXLPK-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1cc(C)cc(C)c1 ZINC000469047368 515645050 /nfs/dbraw/zinc/64/50/50/515645050.db2.gz VOEPXSHOVZPBOE-SFHVURJKSA-N -1 1 372.446 2.676 20 30 FFEDMM N#Cc1ccc(C(=O)NCCCOc2ccc(C(F)(F)F)cn2)cc1[O-] ZINC000482778216 515802186 /nfs/dbraw/zinc/80/21/86/515802186.db2.gz CVPRHNUEVBVBSK-UHFFFAOYSA-N -1 1 365.311 2.877 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1C#N ZINC000506449574 515883804 /nfs/dbraw/zinc/88/38/04/515883804.db2.gz ZHPMCLHNCSOFDI-CQSZACIVSA-N -1 1 372.450 2.541 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)ccc1Cl ZINC000507642387 516271086 /nfs/dbraw/zinc/27/10/86/516271086.db2.gz BTWBQIHHNYOORC-UHFFFAOYSA-N -1 1 366.826 2.774 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1[O-] ZINC000554579464 516522199 /nfs/dbraw/zinc/52/21/99/516522199.db2.gz PAQDINWALUHXHL-INIZCTEOSA-N -1 1 350.422 2.816 20 30 FFEDMM N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c2)cc1 ZINC000537122205 517046166 /nfs/dbraw/zinc/04/61/66/517046166.db2.gz HEGZLGBQPQOGON-MRXNPFEDSA-N -1 1 373.420 2.835 20 30 FFEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc2)CC1 ZINC000537348815 517152585 /nfs/dbraw/zinc/15/25/85/517152585.db2.gz CBTVBDJAJXOZAH-UHFFFAOYSA-N -1 1 370.430 2.872 20 30 FFEDMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1C#N ZINC000530145405 517591348 /nfs/dbraw/zinc/59/13/48/517591348.db2.gz SEUOXOQGWPRXQM-UHFFFAOYSA-N -1 1 358.419 2.830 20 30 FFEDMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C[C@H]1OCc1ccccc1 ZINC000553523363 517759933 /nfs/dbraw/zinc/75/99/33/517759933.db2.gz FIEFDCQDDSIDJH-HZPDHXFCSA-N -1 1 360.435 2.813 20 30 FFEDMM N#CC1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CCC1 ZINC000521644565 517809555 /nfs/dbraw/zinc/80/95/55/517809555.db2.gz VGGDEMCJTRQNRC-UHFFFAOYSA-N -1 1 373.409 2.803 20 30 FFEDMM COc1ccc([O-])c(S(=O)(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000539397890 518026976 /nfs/dbraw/zinc/02/69/76/518026976.db2.gz UHMPOVHTPGJWCU-UHFFFAOYSA-N -1 1 362.407 2.860 20 30 FFEDMM N#CCCC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000567579093 518594508 /nfs/dbraw/zinc/59/45/08/518594508.db2.gz HIIXEWJHEWVNAH-CQSZACIVSA-N -1 1 360.395 2.703 20 30 FFEDMM C=CCN(CCOC)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000570559288 518666501 /nfs/dbraw/zinc/66/65/01/518666501.db2.gz FRJKTBNRNCLLSJ-UHFFFAOYSA-N -1 1 365.227 2.978 20 30 FFEDMM CCn1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000573444095 518667056 /nfs/dbraw/zinc/66/70/56/518667056.db2.gz HWWSMXCENPRDHY-LLVKDONJSA-N -1 1 367.434 2.982 20 30 FFEDMM CCOC(=O)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(OC)c1 ZINC000589169059 518938721 /nfs/dbraw/zinc/93/87/21/518938721.db2.gz UACSFKVFZKPLKU-GOSISDBHSA-N -1 1 368.389 2.697 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)c1 ZINC000589528097 519025205 /nfs/dbraw/zinc/02/52/05/519025205.db2.gz PHAXXUBEXGAMKK-UHFFFAOYSA-N -1 1 354.341 2.575 20 30 FFEDMM CC(C)(C#N)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000608826243 520139503 /nfs/dbraw/zinc/13/95/03/520139503.db2.gz LXXJFSQLPDCQMS-UHFFFAOYSA-N -1 1 357.435 2.653 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(=O)OCC ZINC000594780355 520154480 /nfs/dbraw/zinc/15/44/80/520154480.db2.gz FKCDTMGODSTKBA-AWEZNQCLSA-N -1 1 363.838 2.796 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC(CC#N)C2)cc1 ZINC000598042700 520390998 /nfs/dbraw/zinc/39/09/98/520390998.db2.gz YYFAWSBEHPZZIG-UHFFFAOYSA-N -1 1 369.446 2.782 20 30 FFEDMM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1nc2cc(F)ccc2s1 ZINC000592973594 520666774 /nfs/dbraw/zinc/66/67/74/520666774.db2.gz HZKCCTQZUTVSDF-CYBMUJFWSA-N -1 1 364.365 2.901 20 30 FFEDMM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614369709 520929201 /nfs/dbraw/zinc/92/92/01/520929201.db2.gz WNLVWQJHBUOGEU-UHFFFAOYSA-N -1 1 351.406 2.657 20 30 FFEDMM COC(=O)[C@]1([N-]S(=O)(=O)CC2(C#N)CCCC2)CCCC(C)(C)C1 ZINC000599410534 521204726 /nfs/dbraw/zinc/20/47/26/521204726.db2.gz AYBAWMBNDBWHNX-KRWDZBQOSA-N -1 1 356.488 2.502 20 30 FFEDMM C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)n1 ZINC000593828095 521233938 /nfs/dbraw/zinc/23/39/38/521233938.db2.gz JVMIHISUTPMZPD-BLLLJJGKSA-N -1 1 366.421 2.865 20 30 FFEDMM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000612173492 521518868 /nfs/dbraw/zinc/51/88/68/521518868.db2.gz WBBSBZPNIIXYMV-CQSZACIVSA-N -1 1 368.336 2.529 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N(CCc2ccccn2)Cc2cccnc2)c1 ZINC000619546480 521762219 /nfs/dbraw/zinc/76/22/19/521762219.db2.gz BQTRKHVLPYDYDP-UHFFFAOYSA-N -1 1 358.401 2.939 20 30 FFEDMM N#C[C@H](COC(=O)c1sccc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000737674731 599027372 /nfs/dbraw/zinc/02/73/72/599027372.db2.gz LJMWJAPAJDNOFN-LLVKDONJSA-N -1 1 357.370 2.607 20 30 FFEDMM N#Cc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000737717675 598721566 /nfs/dbraw/zinc/72/15/66/598721566.db2.gz IGXQBTARUVCDBC-UHFFFAOYSA-N -1 1 362.780 2.755 20 30 FFEDMM CC(C)c1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820192164 599330659 /nfs/dbraw/zinc/33/06/59/599330659.db2.gz FPOLYRCRSGSVBX-UHFFFAOYSA-N -1 1 355.427 2.904 20 30 FFEDMM CC(C)c1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000820192164 599330662 /nfs/dbraw/zinc/33/06/62/599330662.db2.gz FPOLYRCRSGSVBX-UHFFFAOYSA-N -1 1 355.427 2.904 20 30 FFEDMM N#CCOc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000822815313 599522506 /nfs/dbraw/zinc/52/25/06/599522506.db2.gz OUQVAZDEOLNFKD-UHFFFAOYSA-N -1 1 357.377 2.929 20 30 FFEDMM N#CCOc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000822815313 599522509 /nfs/dbraw/zinc/52/25/09/599522509.db2.gz OUQVAZDEOLNFKD-UHFFFAOYSA-N -1 1 357.377 2.929 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736108979 600296916 /nfs/dbraw/zinc/29/69/16/600296916.db2.gz YSVBWQQDWXJDFE-HOCLYGCPSA-N -1 1 362.495 2.838 20 30 FFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000736089552 600900449 /nfs/dbraw/zinc/90/04/49/600900449.db2.gz MUWDXNCAOCHSOK-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000825966658 601036771 /nfs/dbraw/zinc/03/67/71/601036771.db2.gz JBZXTESOQFVAOO-XIKOKIGWSA-N -1 1 361.467 2.720 20 30 FFEDMM COc1ccccc1CN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832614316 601314235 /nfs/dbraw/zinc/31/42/35/601314235.db2.gz ZMOPSTWPXWKYBP-FQEVSTJZSA-N -1 1 365.433 2.510 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)ccc1Cl ZINC000832888116 601535141 /nfs/dbraw/zinc/53/51/41/601535141.db2.gz DRRZGJCZBGFKAN-DZGCQCFKSA-N -1 1 363.845 2.548 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000825967382 601937801 /nfs/dbraw/zinc/93/78/01/601937801.db2.gz VASVPKZOVSTRPH-FZKQIMNGSA-N -1 1 361.467 2.673 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)NCCCCCCCC(=O)[O-])c(F)c1 ZINC000776553452 601962734 /nfs/dbraw/zinc/96/27/34/601962734.db2.gz WEZVPUOOEMWFOF-UHFFFAOYSA-N -1 1 360.382 2.540 20 30 FFEDMM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826180353 607645447 /nfs/dbraw/zinc/64/54/47/607645447.db2.gz DDWDLBIMOJIGFZ-QPJJXVBHSA-N -1 1 369.406 2.791 20 30 FFEDMM CC[C@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2cccnc2)ccc1OC ZINC000828585966 605002047 /nfs/dbraw/zinc/00/20/47/605002047.db2.gz BIAWMQCXVLXZNA-QAPCUYQASA-N -1 1 355.394 2.687 20 30 FFEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(O)c(CN2CCOCC2)c1 ZINC000812444728 605098618 /nfs/dbraw/zinc/09/86/18/605098618.db2.gz FHPOADBDTBHWBI-UHFFFAOYSA-N -1 1 369.421 2.759 20 30 FFEDMM COc1cc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1O ZINC000821707908 606857051 /nfs/dbraw/zinc/85/70/51/606857051.db2.gz HKJDQHANWNEZOV-UHFFFAOYSA-N -1 1 357.374 2.528 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2nc(Cl)cs2)o1 ZINC000824280437 607964935 /nfs/dbraw/zinc/96/49/35/607964935.db2.gz NREARAGIKJSOKX-UHFFFAOYSA-N -1 1 352.811 2.609 20 30 FFEDMM C=CCCCN(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823894246 609359918 /nfs/dbraw/zinc/35/99/18/609359918.db2.gz LJORPDUZTRCUJQ-UHFFFAOYSA-N -1 1 370.392 2.621 20 30 FFEDMM CC(=NNc1ncnc2nc[nH]c21)c1cc(Br)c(F)cc1[O-] ZINC000746564643 735494353 /nfs/dbraw/zinc/49/43/53/735494353.db2.gz LMRQQTJZCOKNQQ-UHFFFAOYSA-N -1 1 365.166 2.796 20 30 FFEDMM CC(C)n1c(CNC(=O)CSCc2ccc(C#N)cc2)n[n-]c1=S ZINC000066650170 728176301 /nfs/dbraw/zinc/17/63/01/728176301.db2.gz AFXRJTOHOFXBAE-UHFFFAOYSA-N -1 1 361.496 2.943 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000108250308 728520408 /nfs/dbraw/zinc/52/04/08/728520408.db2.gz XFXONRXINYMXAH-UHFFFAOYSA-N -1 1 355.371 2.606 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)[n-]1 ZINC000192765538 729458522 /nfs/dbraw/zinc/45/85/22/729458522.db2.gz MEOQLRLEHCYTRL-UHFFFAOYSA-N -1 1 374.491 2.793 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)o1 ZINC000255125186 729632423 /nfs/dbraw/zinc/63/24/23/729632423.db2.gz WVGDVMMOZFJZSV-ZTSSLWBESA-N -1 1 356.765 2.754 20 30 FFEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@H]1CCCOCC1 ZINC000857208554 730385353 /nfs/dbraw/zinc/38/53/53/730385353.db2.gz ZTABOKVTMBXNES-LBPRGKRZSA-N -1 1 364.427 2.674 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCOCC1 ZINC000867513105 731193888 /nfs/dbraw/zinc/19/38/88/731193888.db2.gz WTOIGWAFIMVHDJ-UHFFFAOYSA-N -1 1 351.255 2.792 20 30 FFEDMM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000657036192 731709254 /nfs/dbraw/zinc/70/92/54/731709254.db2.gz BAJIMNGKRLRPDF-WDEREUQCSA-N -1 1 351.394 2.852 20 30 FFEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000872462593 731772928 /nfs/dbraw/zinc/77/29/28/731772928.db2.gz CPCYJVHQFDNCKM-RCDICMHDSA-N -1 1 357.501 2.762 20 30 FFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000882685987 733271377 /nfs/dbraw/zinc/27/13/77/733271377.db2.gz KUIFLKVUWLLTFL-QFIPXVFZSA-N -1 1 355.485 2.954 20 30 FFEDMM Cc1[nH]c2ccc(F)cc2c1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000782225672 738699982 /nfs/dbraw/zinc/69/99/82/738699982.db2.gz WKUIQTSTBTZGOW-UHFFFAOYSA-N -1 1 356.382 2.688 20 30 FFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccccc1I ZINC000727779516 734500213 /nfs/dbraw/zinc/50/02/13/734500213.db2.gz HNCPHKIUFIIZDZ-UHFFFAOYSA-N -1 1 368.178 2.931 20 30 FFEDMM O=c1nc(NN=Cc2ccc(-c3cccc(F)c3)s2)nc2[nH][n-]cc1-2 ZINC000731157855 734668713 /nfs/dbraw/zinc/66/87/13/734668713.db2.gz SJFJXCKQXIVVRD-UHFFFAOYSA-N -1 1 354.370 2.746 20 30 FFEDMM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)o1 ZINC000732901638 734773895 /nfs/dbraw/zinc/77/38/95/734773895.db2.gz XVPVGKYYQBUKDV-NSHDSACASA-N -1 1 358.375 2.734 20 30 FFEDMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000896311334 735137062 /nfs/dbraw/zinc/13/70/62/735137062.db2.gz PBQASWZQBMAMLW-UHFFFAOYSA-N -1 1 350.802 2.593 20 30 FFEDMM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)[nH]1 ZINC000747629769 735575515 /nfs/dbraw/zinc/57/55/15/735575515.db2.gz IFNXTRKVGAJSPE-UHFFFAOYSA-N -1 1 373.463 2.856 20 30 FFEDMM Cc1cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1C1CC1 ZINC000748254290 735630815 /nfs/dbraw/zinc/63/08/15/735630815.db2.gz YABZNIFFAKRYEI-UHFFFAOYSA-N -1 1 362.411 2.660 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)c1 ZINC000749158657 735699389 /nfs/dbraw/zinc/69/93/89/735699389.db2.gz WHKVTRDLUUCWHZ-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cc(Cl)ccc2F)cc1 ZINC000753696312 736087339 /nfs/dbraw/zinc/08/73/39/736087339.db2.gz DONCOQGQCWZPNQ-UHFFFAOYSA-N -1 1 371.777 2.841 20 30 FFEDMM C=C[C@H](CCC(=O)[O-])NCc1cn(-c2ccccc2Br)nn1 ZINC000904013859 736204718 /nfs/dbraw/zinc/20/47/18/736204718.db2.gz KQWNBBIDWHYVPA-LLVKDONJSA-N -1 1 365.231 2.539 20 30 FFEDMM CC(C)(C)c1coc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)n1 ZINC000907946241 736692749 /nfs/dbraw/zinc/69/27/49/736692749.db2.gz JXRYVCYYEJJBDN-UHFFFAOYSA-N -1 1 351.403 2.602 20 30 FFEDMM C=C(Cl)C[C@@H](NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908927088 736859312 /nfs/dbraw/zinc/85/93/12/736859312.db2.gz ZWZLEXJVNWEIPC-KGLIPLIRSA-N -1 1 369.849 2.620 20 30 FFEDMM CC(=O)Nc1nc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)cs1 ZINC000764307734 737010265 /nfs/dbraw/zinc/01/02/65/737010265.db2.gz UUIVYNCJPSHYOL-UHFFFAOYSA-N -1 1 365.758 2.787 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2sccc2Br)c2ccccc21 ZINC000764905374 737061273 /nfs/dbraw/zinc/06/12/73/737061273.db2.gz LDDFLUVMXUIOBR-UHFFFAOYSA-N -1 1 370.253 2.583 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766201777 737206546 /nfs/dbraw/zinc/20/65/46/737206546.db2.gz UZNPTNXXCRLONT-UHFFFAOYSA-N -1 1 367.224 2.505 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccccc2OC(F)(F)F)c2ccccc21 ZINC000914599372 737585739 /nfs/dbraw/zinc/58/57/39/737585739.db2.gz GIELEQQCIZKBPL-UHFFFAOYSA-N -1 1 369.324 2.658 20 30 FFEDMM C=CCNc1ncc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000770106945 737596817 /nfs/dbraw/zinc/59/68/17/737596817.db2.gz FDNAZMFOXCNIIW-UHFFFAOYSA-N -1 1 358.375 2.910 20 30 FFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916004946 737670414 /nfs/dbraw/zinc/67/04/14/737670414.db2.gz YTYTULXSUPYNDN-AMXDTQDGSA-N -1 1 368.402 2.670 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000773049903 737865856 /nfs/dbraw/zinc/86/58/56/737865856.db2.gz ASJRJMHRXXNLDP-NEPJUHHUSA-N -1 1 367.776 2.818 20 30 FFEDMM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc([O-])c(Cl)c1 ZINC000921257484 737955710 /nfs/dbraw/zinc/95/57/10/737955710.db2.gz CPMFTPDRUHAJMD-UHFFFAOYSA-N -1 1 352.847 2.899 20 30 FFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000795956922 740085071 /nfs/dbraw/zinc/08/50/71/740085071.db2.gz YTVOLBQJONBHFZ-JTQLQIEISA-N -1 1 364.250 2.860 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@H](c3cccnc3)C2)c2ccccc21 ZINC000799875086 740459205 /nfs/dbraw/zinc/45/92/05/740459205.db2.gz LTNTZNQVVQRJBF-ZDUSSCGKSA-N -1 1 354.435 2.834 20 30 FFEDMM Cn1c(=O)sc2cc(/C=C/C(=O)c3ccc(C(=O)[O-])cc3O)ccc21 ZINC000806558502 741069214 /nfs/dbraw/zinc/06/92/14/741069214.db2.gz DZLBDLCHKIILFJ-XVNBXDOJSA-N -1 1 355.371 2.900 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000810099656 741385765 /nfs/dbraw/zinc/38/57/65/741385765.db2.gz MIWQNIQUZHINRH-LBPRGKRZSA-N -1 1 356.812 2.963 20 30 FFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cc2n(n1)CCO2 ZINC000810530296 741425040 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C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1noc(-c2ccccc2)n1 ZINC000126589171 964986226 /nfs/dbraw/zinc/98/62/26/964986226.db2.gz SQYDUEZCKHMFDV-NSHDSACASA-N -1 1 372.381 2.787 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000185333616 967710246 /nfs/dbraw/zinc/71/02/46/967710246.db2.gz DPHMCFYLCJEUBP-CQSZACIVSA-N -1 1 372.446 2.638 20 30 FFEDMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccc(C#N)cc1F ZINC001087552368 968088852 /nfs/dbraw/zinc/08/88/52/968088852.db2.gz ANXDZJPOBPUZPI-DLBZAZTESA-N -1 1 368.412 2.581 20 30 FFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000179699764 969026256 /nfs/dbraw/zinc/02/62/56/969026256.db2.gz LWNUOFQHRBHITM-OAHLLOKOSA-N -1 1 365.780 2.882 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Cl)C(=O)OCC ZINC001211880795 970495670 /nfs/dbraw/zinc/49/56/70/970495670.db2.gz BVMAXBUDFCNEQN-AWEZNQCLSA-N -1 1 363.838 2.796 20 30 FFEDMM C#CCOc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC001211899700 974158422 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2.508 20 30 FFEDMM C#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1F ZINC001195234327 1004912838 /nfs/dbraw/zinc/91/28/38/1004912838.db2.gz HVGXUOLTENRQOZ-UHFFFAOYSA-N -1 1 355.293 2.584 20 30 FFEDMM N#Cc1cnc(NC(=O)c2cc([O-])cnc2Cl)c(Br)c1 ZINC001195297814 1004935264 /nfs/dbraw/zinc/93/52/64/1004935264.db2.gz HTPZWZRHBQWKEN-UHFFFAOYSA-N -1 1 353.563 2.722 20 30 FFEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ccnc(OCC2CCOCC2)n1 ZINC001199647082 1004994619 /nfs/dbraw/zinc/99/46/19/1004994619.db2.gz MFUWLIRLWPSUQJ-UHFFFAOYSA-N -1 1 374.347 2.684 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1C#N ZINC001201287538 1005188095 /nfs/dbraw/zinc/18/80/95/1005188095.db2.gz KYJSKYRTYPCRNI-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccccc3=O)cc2)cc1C#N ZINC001201319862 1005199229 /nfs/dbraw/zinc/19/92/29/1005199229.db2.gz LDMDHRVQJGIIGH-UHFFFAOYSA-N -1 1 365.414 2.818 20 30 FFEDMM CCc1cccc2c(C=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000748248644 1016970153 /nfs/dbraw/zinc/97/01/53/1016970153.db2.gz SZPKGNBRYBUJBQ-UHFFFAOYSA-N -1 1 372.406 2.951 20 30 FFEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2nnn(C(C)(C)C)n2)cc1 ZINC000850760781 1005837315 /nfs/dbraw/zinc/83/73/15/1005837315.db2.gz XEFNVGNBCAVWJM-OAHLLOKOSA-N -1 1 368.441 2.732 20 30 FFEDMM COc1cc(C#N)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187589328 1006145084 /nfs/dbraw/zinc/14/50/84/1006145084.db2.gz JICUXXHLZLNYDE-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM CCOC(=O)c1nc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)[n-]c1Cl ZINC001134103597 1006156160 /nfs/dbraw/zinc/15/61/60/1006156160.db2.gz UJFYICIBHHRQRS-SNVBAGLBSA-N -1 1 360.801 2.929 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1ccc(F)cc1F ZINC001187800303 1006245470 /nfs/dbraw/zinc/24/54/70/1006245470.db2.gz LAGSCQGIQWJRNF-SECBINFHSA-N -1 1 367.333 2.784 20 30 FFEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1noc(C)n1 ZINC001187829467 1006286781 /nfs/dbraw/zinc/28/67/81/1006286781.db2.gz PZGZIRLFPXIRKA-LBPRGKRZSA-N -1 1 354.819 2.527 20 30 FFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(OCc2nccn2C)cc1 ZINC000814681315 1006396600 /nfs/dbraw/zinc/39/66/00/1006396600.db2.gz GHTAGDDYLDSIIV-UHFFFAOYSA-N -1 1 352.398 2.639 20 30 FFEDMM CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814885798 1006457687 /nfs/dbraw/zinc/45/76/87/1006457687.db2.gz KKMAUYCOLOAKDG-CALCHBBNSA-N -1 1 358.442 2.514 20 30 FFEDMM Cc1nn(C)c(C)c1C(=NN=c1[n-]c(-c2cccnc2)no1)C(F)(F)F ZINC000814949280 1006479226 /nfs/dbraw/zinc/47/92/26/1006479226.db2.gz DVVBUCGYDHEQOI-UHFFFAOYSA-N -1 1 365.319 2.860 20 30 FFEDMM Cc1nn(C)c(C)c1C(=NN=c1nc(-c2cccnc2)[n-]o1)C(F)(F)F ZINC000814949280 1006479233 /nfs/dbraw/zinc/47/92/33/1006479233.db2.gz DVVBUCGYDHEQOI-UHFFFAOYSA-N -1 1 365.319 2.860 20 30 FFEDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001116196325 1032185661 /nfs/dbraw/zinc/18/56/61/1032185661.db2.gz XPOWKTQWUOYAIA-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1(C)C ZINC000854972923 1007048559 /nfs/dbraw/zinc/04/85/59/1007048559.db2.gz DAJLJMNWOSNHQB-CABCVRRESA-N -1 1 359.426 2.685 20 30 FFEDMM COc1cnc(C2(NC(=O)Nc3cc(C)cc(C#N)c3)CCCC2)[n-]c1=O ZINC001206305809 1032219159 /nfs/dbraw/zinc/21/91/59/1032219159.db2.gz OVFXZJDRVHSZAO-UHFFFAOYSA-N -1 1 367.409 2.962 20 30 FFEDMM CCOC(=O)C1(C(F)(F)F)CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000884745482 1007525603 /nfs/dbraw/zinc/52/56/03/1007525603.db2.gz FUOCCCMMBCKRQQ-UHFFFAOYSA-N -1 1 370.327 2.612 20 30 FFEDMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190647836 1007733188 /nfs/dbraw/zinc/73/31/88/1007733188.db2.gz CXNCGWKFDDXCIR-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM C=CCC1(S(=O)(=O)[N-]c2cn3cc(Br)ccc3n2)CC1 ZINC001190772648 1007777489 /nfs/dbraw/zinc/77/74/89/1007777489.db2.gz GGBHDZWIRWGDMJ-UHFFFAOYSA-N -1 1 356.245 2.947 20 30 FFEDMM CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC000857416767 1008141593 /nfs/dbraw/zinc/14/15/93/1008141593.db2.gz WMBMQWDVOJGTOG-QRWLVFNGSA-N -1 1 371.437 2.783 20 30 FFEDMM COc1ccc(N2CC[C@H](CNC(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000819589499 1008185719 /nfs/dbraw/zinc/18/57/19/1008185719.db2.gz RTYWGOHXFNTMSD-CQSZACIVSA-N -1 1 351.406 2.529 20 30 FFEDMM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000819590772 1008186908 /nfs/dbraw/zinc/18/69/08/1008186908.db2.gz ZBKZIVZZZVRTMK-AWEZNQCLSA-N -1 1 351.406 2.529 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)Nc2ccc(C#N)cc2[O-])C1 ZINC001178891165 1009169738 /nfs/dbraw/zinc/16/97/38/1009169738.db2.gz WSKIEHLKNJHTEF-STQMWFEESA-N -1 1 363.389 2.797 20 30 FFEDMM C#CCN1CC[C@]2(CCCN(C(=O)c3c([O-])cccc3Cl)CC2)C1=O ZINC001274007564 1009242791 /nfs/dbraw/zinc/24/27/91/1009242791.db2.gz NCGKYLBPROBDML-LJQANCHMSA-N -1 1 360.841 2.524 20 30 FFEDMM C#C[C@H]1CCCCN1C(=O)c1ccc(I)cc1[O-] ZINC001180235393 1009608714 /nfs/dbraw/zinc/60/87/14/1009608714.db2.gz SKUSFDYIDNCJKJ-NSHDSACASA-N -1 1 355.175 2.625 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000887896581 1009670648 /nfs/dbraw/zinc/67/06/48/1009670648.db2.gz YVGBWCRQPLWBKX-NSHDSACASA-N -1 1 362.311 2.702 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1n[nH]c2nc(C(F)(F)F)ccc12 ZINC001181149321 1009994484 /nfs/dbraw/zinc/99/44/84/1009994484.db2.gz MOCUAANVGAQIHB-UHFFFAOYSA-N -1 1 362.271 2.510 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)Cc2c(C)cc(C#N)cc2C)[n-]c1=O ZINC000889785314 1010113281 /nfs/dbraw/zinc/11/32/81/1010113281.db2.gz DWEXBILLWHVXDK-MRXNPFEDSA-N -1 1 366.421 2.586 20 30 FFEDMM COc1cccc([C@@H](O)C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000863739689 1010313432 /nfs/dbraw/zinc/31/34/32/1010313432.db2.gz OFRQRAZDYWAZCK-FQEVSTJZSA-N -1 1 366.417 2.858 20 30 FFEDMM COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000794590323 1010408192 /nfs/dbraw/zinc/40/81/92/1010408192.db2.gz OSPPJYIBCYHCGS-UHFFFAOYSA-N -1 1 373.434 2.752 20 30 FFEDMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cc(C#N)ccc3O)n2)c1 ZINC000774079619 1010461614 /nfs/dbraw/zinc/46/16/14/1010461614.db2.gz DRHPRFKSGXVVSM-UHFFFAOYSA-N -1 1 352.325 2.855 20 30 FFEDMM CC(CN1CCCCCC1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000777438132 1011287822 /nfs/dbraw/zinc/28/78/22/1011287822.db2.gz XZOLFAOCGXLSLH-UHFFFAOYSA-N -1 1 359.478 2.951 20 30 FFEDMM [NH3+]CCC[N@H+](C[C@@H]([S-])OP(=O)([O-])[O-])C1CCC2(CCCC2)CC1 ZINC001172728202 1011965359 /nfs/dbraw/zinc/96/53/59/1011965359.db2.gz DBLZINQPDUSGLT-CQSZACIVSA-N -1 1 366.464 2.505 20 30 FFEDMM [NH3+]CCC[N@@H+](C[C@@H]([S-])OP(=O)([O-])[O-])C1CCC2(CCCC2)CC1 ZINC001172728202 1011965380 /nfs/dbraw/zinc/96/53/80/1011965380.db2.gz DBLZINQPDUSGLT-CQSZACIVSA-N -1 1 366.464 2.505 20 30 FFEDMM Cc1nc(NCC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)ccc1C#N ZINC001053354712 1018265165 /nfs/dbraw/zinc/26/51/65/1018265165.db2.gz RJELYPCFPCQOLS-CZUORRHYSA-N -1 1 365.437 2.573 20 30 FFEDMM N#Cc1ccc(NCCNC(=O)c2c([O-])cnc3ccc(Cl)cc32)nc1 ZINC000801602634 1019163078 /nfs/dbraw/zinc/16/30/78/1019163078.db2.gz RNCFSUUXEUXXTM-UHFFFAOYSA-N -1 1 367.796 2.702 20 30 FFEDMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)cc2C1=O ZINC000901639910 1019298051 /nfs/dbraw/zinc/29/80/51/1019298051.db2.gz LGDALYMEQTUKCW-UHFFFAOYSA-N -1 1 369.446 2.572 20 30 FFEDMM N#Cc1ccc(N2C[C@@H](c3nc(-c4ccc([O-])c(F)c4)no3)CC2=O)cc1 ZINC001116809221 1021429452 /nfs/dbraw/zinc/42/94/52/1021429452.db2.gz UTXQVFMJRQYUBY-ZDUSSCGKSA-N -1 1 364.336 2.973 20 30 FFEDMM CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C(F)F ZINC001117813776 1021915050 /nfs/dbraw/zinc/91/50/50/1021915050.db2.gz FDCGFGMIQFYIRD-CYBMUJFWSA-N -1 1 369.368 2.542 20 30 FFEDMM C#C[C@@H]1CCCCN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CC(=C)C ZINC001122524956 1023318601 /nfs/dbraw/zinc/31/86/01/1023318601.db2.gz BHIVURIXWNIOHD-OAHLLOKOSA-N -1 1 364.453 2.886 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCSCC1 ZINC001122525772 1023319070 /nfs/dbraw/zinc/31/90/70/1023319070.db2.gz ZZSADNCXFUJLOX-UHFFFAOYSA-N -1 1 351.863 2.828 20 30 FFEDMM CC(=NNc1nnc(-c2ccccc2)n1C)c1cc(C(=O)[O-])ccc1O ZINC000757461664 1023822614 /nfs/dbraw/zinc/82/26/14/1023822614.db2.gz PIALSVDQWSNUPK-UHFFFAOYSA-N -1 1 351.366 2.722 20 30 FFEDMM CC(=O)N(c1nc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cs1)C1CC1 ZINC000757473223 1023823632 /nfs/dbraw/zinc/82/36/32/1023823632.db2.gz NJCVQCLRSJILQV-CLTKARDFSA-N -1 1 372.402 2.958 20 30 FFEDMM N#Cc1c(Cl)c2ccc(F)cc2nc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001159194782 1027306012 /nfs/dbraw/zinc/30/60/12/1027306012.db2.gz JRSZYBGWXGUIIR-UHFFFAOYSA-N -1 1 371.719 2.672 20 30 FFEDMM Nc1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ncc1[N+](=O)[O-] ZINC001155914162 1028973278 /nfs/dbraw/zinc/97/32/78/1028973278.db2.gz HMJUDGKWXYKTLW-UHFFFAOYSA-N -1 1 357.248 2.719 20 30 FFEDMM N#Cc1cnn(-c2ccccc2NC(=O)Cc2ccc([O-])c(Cl)c2)c1N ZINC001157294994 1029539649 /nfs/dbraw/zinc/53/96/49/1029539649.db2.gz BCOWYGXWSNWAPK-UHFFFAOYSA-N -1 1 367.796 2.866 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(N2CCNC2=O)c1C ZINC000782509502 1029726281 /nfs/dbraw/zinc/72/62/81/1029726281.db2.gz MDNMIZGFQKPILK-UHFFFAOYSA-N -1 1 370.434 2.506 20 30 FFEDMM COc1cc(CCNc2nc(SC)nc(Cl)c2/C=N/[O-])ccn1 ZINC001158341704 1029802073 /nfs/dbraw/zinc/80/20/73/1029802073.db2.gz PHIONZOBDSUIAJ-QGMBQPNBSA-N -1 1 353.835 2.718 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(N2CCO[C@@H](c3ccccn3)C2)n1 ZINC001167009584 1030609966 /nfs/dbraw/zinc/60/99/66/1030609966.db2.gz NQLUFQDKYXKKHV-VGTRTNLYSA-N -1 1 365.846 2.633 20 30 FFEDMM CC(C)(C)C(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001142772462 1030837834 /nfs/dbraw/zinc/83/78/34/1030837834.db2.gz NHDPKJQZRISXCB-UHFFFAOYSA-N -1 1 355.757 2.787 20 30 FFEDMM Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000797433667 1031110084 /nfs/dbraw/zinc/11/00/84/1031110084.db2.gz OORRBBIIYNAPBV-UHFFFAOYSA-N -1 1 371.462 2.699 20 30 FFEDMM COc1cnc(C(C)(C)NC(=O)Nc2cc(C#N)c(F)cc2C)[n-]c1=O ZINC001220005262 1033936925 /nfs/dbraw/zinc/93/69/25/1033936925.db2.gz BVBLAWFATNRZGW-UHFFFAOYSA-N -1 1 359.361 2.567 20 30 FFEDMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cc(C#N)ccc2F)n[n-]1 ZINC000834687485 1035429230 /nfs/dbraw/zinc/42/92/30/1035429230.db2.gz SWRXJUKVSGZMQC-CQSZACIVSA-N -1 1 373.388 2.509 20 30 FFEDMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cc(C#N)ccc2F)[n-]1 ZINC000834687485 1035429232 /nfs/dbraw/zinc/42/92/32/1035429232.db2.gz SWRXJUKVSGZMQC-CQSZACIVSA-N -1 1 373.388 2.509 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cc(C#N)ccc2F)n1 ZINC000834687485 1035429234 /nfs/dbraw/zinc/42/92/34/1035429234.db2.gz SWRXJUKVSGZMQC-CQSZACIVSA-N -1 1 373.388 2.509 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@@H]2Oc1ccc([O-])c(C#N)c1C#N ZINC001227621878 1035642791 /nfs/dbraw/zinc/64/27/91/1035642791.db2.gz GOFFOZOCNKDEMN-JDSLSITLSA-N -1 1 355.394 2.912 20 30 FFEDMM C=CCOC(=O)N1CCC2(CN(Cc3c([O-])cc(F)cc3F)C2)CC1 ZINC001140582199 1035663921 /nfs/dbraw/zinc/66/39/21/1035663921.db2.gz DYYMJCXJXGQBGH-UHFFFAOYSA-N -1 1 352.381 2.891 20 30 FFEDMM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Oc1cc([O-])ccc1C#N)CCO2 ZINC001228005259 1035864962 /nfs/dbraw/zinc/86/49/62/1035864962.db2.gz KCLJGZRSPPHEIW-OAHLLOKOSA-N -1 1 360.410 2.811 20 30 FFEDMM N#Cc1ccc([O-])cc1OC[C@H]1OCCc2cn(Cc3ccncc3)nc21 ZINC001228006215 1035869001 /nfs/dbraw/zinc/86/90/01/1035869001.db2.gz YIQPNAYXXGLPHC-LJQANCHMSA-N -1 1 362.389 2.596 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2F)C[C@H]1C#N ZINC001233335106 1036541504 /nfs/dbraw/zinc/54/15/04/1036541504.db2.gz HIRYAQOMVIHFMO-LLVKDONJSA-N -1 1 353.369 2.615 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#N)cc2[O-])CC(F)(F)C1 ZINC001233384340 1036583046 /nfs/dbraw/zinc/58/30/46/1036583046.db2.gz RUMCRWIPIDXPPW-UHFFFAOYSA-N -1 1 367.396 2.952 20 30 FFEDMM CCOC(=O)[C@H]1c2ccc(OC)cc2CCN1Cc1ccc(C#N)cc1[O-] ZINC001233387833 1036589745 /nfs/dbraw/zinc/58/97/45/1036589745.db2.gz AOLUDPPLAUMBNV-HXUWFJFHSA-N -1 1 366.417 2.935 20 30 FFEDMM COc1cc([O-])cc(O[C@@H]2CCOC2=O)c1C(=O)/C=C/c1ccccc1 ZINC001229528044 1036722499 /nfs/dbraw/zinc/72/24/99/1036722499.db2.gz UVJODHFOOODLKU-KXPUMZMLSA-N -1 1 354.358 2.991 20 30 FFEDMM C=CC[C@@H](C=C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792826 1036898361 /nfs/dbraw/zinc/89/83/61/1036898361.db2.gz UBTXDAIWIMYFPX-LLVKDONJSA-N -1 1 358.346 2.955 20 30 FFEDMM C=CCCCCNC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC001234636976 1037121504 /nfs/dbraw/zinc/12/15/04/1037121504.db2.gz RFABTMOSRFPMPL-UHFFFAOYSA-N -1 1 371.441 2.804 20 30 FFEDMM COc1cc(O[C@@H]2CCOC2=O)ccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC001230166153 1037127011 /nfs/dbraw/zinc/12/70/11/1037127011.db2.gz HIXVGOYTAOUWCV-QKYXPGDISA-N -1 1 354.358 2.991 20 30 FFEDMM C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231448963 1037589077 /nfs/dbraw/zinc/58/90/77/1037589077.db2.gz AZFWWMFIGWZOHE-HXUWFJFHSA-N -1 1 358.438 2.624 20 30 FFEDMM C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1C ZINC001208315230 1038206611 /nfs/dbraw/zinc/20/66/11/1038206611.db2.gz POHNTEMABJPFSQ-CRAIPNDOSA-N -1 1 370.497 2.580 20 30 FFEDMM COc1ncc(-c2nc3ccccc3c(C)c2C#N)cc1[N-]S(C)(=O)=O ZINC001244792369 1038778639 /nfs/dbraw/zinc/77/86/39/1038778639.db2.gz JYCYCPCYRSCQKY-UHFFFAOYSA-N -1 1 368.418 2.857 20 30 FFEDMM N#Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)s1 ZINC001257528371 1038852377 /nfs/dbraw/zinc/85/23/77/1038852377.db2.gz MWVYMYPLVSPTGV-UHFFFAOYSA-N -1 1 354.265 2.862 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@@](O)(CNc2cc(C#N)c(F)cc2[O-])C1 ZINC001251319421 1039066506 /nfs/dbraw/zinc/06/65/06/1039066506.db2.gz CVQNFPGSLIGIDF-GOSISDBHSA-N -1 1 365.405 2.577 20 30 FFEDMM COCCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC001258109374 1039178477 /nfs/dbraw/zinc/17/84/77/1039178477.db2.gz KUZQWABEKPYOJB-UHFFFAOYSA-N -1 1 364.398 2.913 20 30 FFEDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(F)cc(C#N)c1)C(=O)C2 ZINC001258972438 1039628531 /nfs/dbraw/zinc/62/85/31/1039628531.db2.gz BFQYPAUAFOHNGL-SJCJKPOMSA-N -1 1 350.415 2.834 20 30 FFEDMM CN(C)C(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259419113 1039989302 /nfs/dbraw/zinc/98/93/02/1039989302.db2.gz JNRUHVWZBFTODG-UHFFFAOYSA-N -1 1 363.370 2.559 20 30 FFEDMM COC(=O)[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC001259419311 1039989629 /nfs/dbraw/zinc/98/96/29/1039989629.db2.gz SXAGIWCUUCRHOY-NSHDSACASA-N -1 1 362.382 2.775 20 30 FFEDMM C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC001260159997 1040435518 /nfs/dbraw/zinc/43/55/18/1040435518.db2.gz IFQHDJYUJVVQDH-LBPRGKRZSA-N -1 1 355.419 2.633 20 30 FFEDMM COc1ncc(Nc2ccc(Cl)cc2C#N)cc1[N-]S(C)(=O)=O ZINC001216156411 1041965821 /nfs/dbraw/zinc/96/58/21/1041965821.db2.gz NQGXAORMSBNLNG-UHFFFAOYSA-N -1 1 352.803 2.730 20 30 FFEDMM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001538785597 1070492690 /nfs/dbraw/zinc/49/26/90/1070492690.db2.gz HHNWVMWSNHVRTB-UHFFFAOYSA-N -1 1 352.362 2.681 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC ZINC001309761486 1043512178 /nfs/dbraw/zinc/51/21/78/1043512178.db2.gz NFGUBHJZEHPIHZ-LLVKDONJSA-N -1 1 352.239 2.780 20 30 FFEDMM CSc1ncc(-c2ccc(Cl)c([O-])c2)c(COS(C)(=O)=O)n1 ZINC001243578870 1044954345 /nfs/dbraw/zinc/95/43/45/1044954345.db2.gz WYLQLLCRZRLUDA-UHFFFAOYSA-N -1 1 360.844 2.701 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC001318155230 1045229758 /nfs/dbraw/zinc/22/97/58/1045229758.db2.gz AMKMALUOCXQKQS-UHFFFAOYSA-N -1 1 355.202 2.872 20 30 FFEDMM N#Cc1ccc(N2C[C@H](c3nc(-c4ccc([O-])cc4F)no3)CC2=O)cc1 ZINC001320969179 1045503790 /nfs/dbraw/zinc/50/37/90/1045503790.db2.gz RYJSKXKMXDKHAC-GFCCVEGCSA-N -1 1 364.336 2.973 20 30 FFEDMM C[C@H](CCc1cccc(F)c1)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001323309931 1045541083 /nfs/dbraw/zinc/54/10/83/1045541083.db2.gz QTFPHRPNZMOEOM-GFCCVEGCSA-N -1 1 360.410 2.660 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC001294243943 1049718430 /nfs/dbraw/zinc/71/84/30/1049718430.db2.gz STPWEJWAURHPBG-HNNXBMFYSA-N -1 1 358.829 2.653 20 30 FFEDMM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001341802060 1050414568 /nfs/dbraw/zinc/41/45/68/1050414568.db2.gz IHXPOAPTUQSAGG-MRXNPFEDSA-N -1 1 373.416 2.840 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001342020041 1050617728 /nfs/dbraw/zinc/61/77/28/1050617728.db2.gz HGKXICDANVQLLL-RDTXWAMCSA-N -1 1 364.457 2.546 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001342020041 1050617736 /nfs/dbraw/zinc/61/77/36/1050617736.db2.gz HGKXICDANVQLLL-RDTXWAMCSA-N -1 1 364.457 2.546 20 30 FFEDMM N#CC(=C([O-])c1cc2n(n1)CCCC2=O)c1nccn1Cc1ccccc1 ZINC001342165640 1050758176 /nfs/dbraw/zinc/75/81/76/1050758176.db2.gz LZDBJDQZRYWKLG-OAHLLOKOSA-N -1 1 359.389 2.594 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)[C@@H]1CC[C@H]1OC ZINC001342294944 1050888299 /nfs/dbraw/zinc/88/82/99/1050888299.db2.gz YSTUTMZATZSVHR-TZMCWYRMSA-N -1 1 363.849 2.889 20 30 FFEDMM N#Cc1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)ccc1Br ZINC001304094341 1051530806 /nfs/dbraw/zinc/53/08/06/1051530806.db2.gz AZMUHKXRMBUAHY-UHFFFAOYSA-N -1 1 374.223 2.904 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC001341330629 1051684543 /nfs/dbraw/zinc/68/45/43/1051684543.db2.gz UPUHCQUPTTXMAW-UHFFFAOYSA-N -1 1 361.810 2.897 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCc2sccc2[C@H]1CC ZINC001343417120 1052218014 /nfs/dbraw/zinc/21/80/14/1052218014.db2.gz RHEKKKAYVMBOBQ-GFCCVEGCSA-N -1 1 356.459 2.610 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCc2sccc2[C@H]1CC ZINC001343417120 1052218021 /nfs/dbraw/zinc/21/80/21/1052218021.db2.gz RHEKKKAYVMBOBQ-GFCCVEGCSA-N -1 1 356.459 2.610 20 30 FFEDMM CC(F)(F)c1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001343797467 1052425371 /nfs/dbraw/zinc/42/53/71/1052425371.db2.gz RNBONFLTEDPHLN-UHFFFAOYSA-N -1 1 350.346 2.677 20 30 FFEDMM N#CC(=C([O-])c1ccc(OCC2CC2)nc1)c1nc(N)c2ccccc2n1 ZINC001346054173 1052725762 /nfs/dbraw/zinc/72/57/62/1052725762.db2.gz NKBDFJPSWALICU-OAHLLOKOSA-N -1 1 359.389 2.886 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001346592901 1053138027 /nfs/dbraw/zinc/13/80/27/1053138027.db2.gz JNSKNYFSFICASY-GASCZTMLSA-N -1 1 366.469 2.986 20 30 FFEDMM O=S1(=O)[N-]/C(=N/[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC001337736184 1054981064 /nfs/dbraw/zinc/98/10/64/1054981064.db2.gz OQFDVAQJBFQTFH-GDBMZVCRSA-N -1 1 360.410 2.785 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC(OC)CC1 ZINC001356598861 1055605582 /nfs/dbraw/zinc/60/55/82/1055605582.db2.gz JNKYHIFWKLGETD-UHFFFAOYSA-N -1 1 363.849 2.890 20 30 FFEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)SCC(=O)N3)cc1 ZINC001358146800 1056162867 /nfs/dbraw/zinc/16/28/67/1056162867.db2.gz XOURCKYEVLGFIC-UHFFFAOYSA-N -1 1 373.459 2.988 20 30 FFEDMM N#Cc1cc([N-]C(=O)c2cc(Cn3cccn3)on2)c(Cl)c([N+](=O)[O-])c1 ZINC001520120148 1059407804 /nfs/dbraw/zinc/40/78/04/1059407804.db2.gz DYJUNABAOPVSBQ-UHFFFAOYSA-N -1 1 372.728 2.605 20 30 FFEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000849960707 1060928056 /nfs/dbraw/zinc/92/80/56/1060928056.db2.gz ZAWPNFIWDTXEDV-MRXNPFEDSA-N -1 1 373.405 2.575 20 30 FFEDMM C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2ncccc2[O-])C1 ZINC001522413037 1062146944 /nfs/dbraw/zinc/14/69/44/1062146944.db2.gz HHLJSPNGNHZHPF-QYWGDWMGSA-N -1 1 371.481 2.748 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC001463919438 1062333975 /nfs/dbraw/zinc/33/39/75/1062333975.db2.gz KEDQEESRZHGIHP-UHFFFAOYSA-N -1 1 357.800 2.660 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)C(=O)OCC ZINC001464262420 1062512025 /nfs/dbraw/zinc/51/20/25/1062512025.db2.gz YJYQIVZLXFKCNH-HNNXBMFYSA-N -1 1 359.875 2.743 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)OCC ZINC001464262472 1062512785 /nfs/dbraw/zinc/51/27/85/1062512785.db2.gz YZPHCBZJYGGLMO-NSHDSACASA-N -1 1 370.229 2.832 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)Cc1cccc(OC)c1 ZINC001524216918 1062758976 /nfs/dbraw/zinc/75/89/76/1062758976.db2.gz VBJZXLGAZKSGHH-UHFFFAOYSA-N -1 1 354.414 2.595 20 30 FFEDMM N#Cc1nc(NCc2c(Cl)oc3ccccc32)cnc1-c1nnn[n-]1 ZINC001581881052 1079012377 /nfs/dbraw/zinc/01/23/77/1079012377.db2.gz GOMCVGIXIYQGPQ-UHFFFAOYSA-N -1 1 352.745 2.540 20 30 FFEDMM N#Cc1nc(NCc2c(Cl)oc3ccccc32)cnc1-c1nn[n-]n1 ZINC001581881052 1079012384 /nfs/dbraw/zinc/01/23/84/1079012384.db2.gz GOMCVGIXIYQGPQ-UHFFFAOYSA-N -1 1 352.745 2.540 20 30 FFEDMM C=C1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)C1 ZINC001584282719 1079333278 /nfs/dbraw/zinc/33/32/78/1079333278.db2.gz CHSDJRUMHDYFMW-UHFFFAOYSA-N -1 1 360.410 2.947 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C(C)(C)C ZINC001561617586 1076399183 /nfs/dbraw/zinc/39/91/83/1076399183.db2.gz OWUVLMKYPZWYPV-GFCCVEGCSA-N -1 1 361.822 2.592 20 30 FFEDMM C=CC(C)(C)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC001562004010 1076464132 /nfs/dbraw/zinc/46/41/32/1076464132.db2.gz FHSMPYRZTRGQGD-UHFFFAOYSA-N -1 1 352.225 2.840 20 30 FFEDMM N#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001568273211 1077082360 /nfs/dbraw/zinc/08/23/60/1077082360.db2.gz ZYSWDRMSXFMBEM-UHFFFAOYSA-N -1 1 363.826 2.784 20 30 FFEDMM C=CCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001569150539 1077132809 /nfs/dbraw/zinc/13/28/09/1077132809.db2.gz CYMWAEBKCKOERR-UHFFFAOYSA-N -1 1 366.826 2.988 20 30 FFEDMM CC(C)(C)Oc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C#N ZINC001573876493 1077831016 /nfs/dbraw/zinc/83/10/16/1077831016.db2.gz NXYYQCXTCWAKMB-UHFFFAOYSA-N -1 1 363.381 2.563 20 30 FFEDMM CC(C)(C)Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C#N ZINC001573876493 1077831022 /nfs/dbraw/zinc/83/10/22/1077831022.db2.gz NXYYQCXTCWAKMB-UHFFFAOYSA-N -1 1 363.381 2.563 20 30 FFEDMM C#CC[C@@H](NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccccc1 ZINC001588334450 1079988265 /nfs/dbraw/zinc/98/82/65/1079988265.db2.gz XVXJDCRRNGVIDJ-SNVBAGLBSA-N -1 1 373.829 2.863 20 30 FFEDMM C=C(C)CCC(=O)N(C)C[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588409530 1080013183 /nfs/dbraw/zinc/01/31/83/1080013183.db2.gz FWGPAXOBLSAVAY-SECBINFHSA-N -1 1 369.882 2.592 20 30 FFEDMM C=C(C)CCC(=O)N(C)C[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588409530 1080013191 /nfs/dbraw/zinc/01/31/91/1080013191.db2.gz FWGPAXOBLSAVAY-SECBINFHSA-N -1 1 369.882 2.592 20 30 FFEDMM C#CCN1CCC(C(=O)O[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001588477181 1080045183 /nfs/dbraw/zinc/04/51/83/1080045183.db2.gz VYAZOUMGKVZOMN-HNNXBMFYSA-N -1 1 369.339 2.720 20 30 FFEDMM C=CCC(CC=C)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001588544745 1080088974 /nfs/dbraw/zinc/08/89/74/1080088974.db2.gz RNAYEFQYLBVBTN-UHFFFAOYSA-N -1 1 363.219 2.731 20 30 FFEDMM C=CCC(CC=C)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001588544745 1080088983 /nfs/dbraw/zinc/08/89/83/1080088983.db2.gz RNAYEFQYLBVBTN-UHFFFAOYSA-N -1 1 363.219 2.731 20 30 FFEDMM C=CCCC(C)(C)CNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001588578145 1080106326 /nfs/dbraw/zinc/10/63/26/1080106326.db2.gz XHZWJQPIWNASMH-UHFFFAOYSA-N -1 1 367.450 2.585 20 30 FFEDMM C=CCCCC(=O)NC[C@@H](CC)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588587362 1080111015 /nfs/dbraw/zinc/11/10/15/1080111015.db2.gz VQUZSEWKVYLULN-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(-n3ccnc3)cc2)o1 ZINC001589773634 1080728528 /nfs/dbraw/zinc/72/85/28/1080728528.db2.gz HBRSYFFYQXLILQ-UHFFFAOYSA-N -1 1 363.385 2.610 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c(C(F)(F)F)c2)o1 ZINC001589773984 1080730801 /nfs/dbraw/zinc/73/08/01/1080730801.db2.gz QUNWYEBJHVVVHP-UHFFFAOYSA-N -1 1 354.296 2.771 20 30 FFEDMM C[C@H](c1cccc(C#N)c1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590049869 1080977665 /nfs/dbraw/zinc/97/76/65/1080977665.db2.gz QPZUTDFNNKOYAV-SECBINFHSA-N -1 1 355.383 2.905 20 30 FFEDMM C[C@H](c1cccc(C#N)c1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590049869 1080977668 /nfs/dbraw/zinc/97/76/68/1080977668.db2.gz QPZUTDFNNKOYAV-SECBINFHSA-N -1 1 355.383 2.905 20 30 FFEDMM CC(C)(C)OC(=O)NCC[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001590184631 1081074465 /nfs/dbraw/zinc/07/44/65/1081074465.db2.gz HTPGDZLFOKEKTA-AWEZNQCLSA-N -1 1 373.453 2.993 20 30 FFEDMM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[nH]1 ZINC000276912254 256141504 /nfs/dbraw/zinc/14/15/04/256141504.db2.gz JZCGDROSLXOREN-IUCAKERBSA-N -1 1 369.397 2.508 20 30 FFEDMM N#Cc1ccc(N2CC[C@H](Sc3nc(C(F)F)cc(=O)[n-]3)C2=O)cc1 ZINC000289497678 257284530 /nfs/dbraw/zinc/28/45/30/257284530.db2.gz KGMMAGLOBRQWOA-LBPRGKRZSA-N -1 1 362.361 2.889 20 30 FFEDMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000055578634 506786357 /nfs/dbraw/zinc/78/63/57/506786357.db2.gz BGLJAYCSGKGEEE-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)ccc1Cl ZINC000055582354 506788465 /nfs/dbraw/zinc/78/84/65/506788465.db2.gz GWUYKOZEZNWPBU-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2COC)c1 ZINC000055595134 506792314 /nfs/dbraw/zinc/79/23/14/506792314.db2.gz RDXOBSFZZKPIAF-UHFFFAOYSA-N -1 1 360.435 2.550 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000055664053 506819598 /nfs/dbraw/zinc/81/95/98/506819598.db2.gz HTGOIPPFSLXRSL-UHFFFAOYSA-N -1 1 360.435 2.720 20 30 FFEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)CCCCC4)nn21 ZINC000078225783 507847178 /nfs/dbraw/zinc/84/71/78/507847178.db2.gz NVPDSBOVFTZZPS-UHFFFAOYSA-N -1 1 352.423 2.887 20 30 FFEDMM N#Cc1cccc(NC(=O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000078546186 507882552 /nfs/dbraw/zinc/88/25/52/507882552.db2.gz MAXYAMUSRAASCJ-UHFFFAOYSA-N -1 1 363.417 2.797 20 30 FFEDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC000092279464 508056800 /nfs/dbraw/zinc/05/68/00/508056800.db2.gz MZBLZSAOPDJOQS-UHFFFAOYSA-N -1 1 355.419 2.960 20 30 FFEDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114673526 508335552 /nfs/dbraw/zinc/33/55/52/508335552.db2.gz VZKFBEZVWGLPQI-UHFFFAOYSA-N -1 1 357.435 2.678 20 30 FFEDMM C=CCCOCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000155038180 508909368 /nfs/dbraw/zinc/90/93/68/508909368.db2.gz PLNNXZBRDILZJA-UHFFFAOYSA-N -1 1 374.462 2.810 20 30 FFEDMM CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1F ZINC000125189640 508944361 /nfs/dbraw/zinc/94/43/61/508944361.db2.gz KHMJROKVRKQLMP-UHFFFAOYSA-N -1 1 370.352 2.853 20 30 FFEDMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000151160375 508969885 /nfs/dbraw/zinc/96/98/85/508969885.db2.gz VRQWLDNWEKSOPE-UHFFFAOYSA-N -1 1 353.444 2.930 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C#N)ccc2C)c1 ZINC000125553506 508999312 /nfs/dbraw/zinc/99/93/12/508999312.db2.gz CHUPHBMKYLFFOD-AWEZNQCLSA-N -1 1 357.435 2.746 20 30 FFEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(F)cc3)nc(=O)c2c1C ZINC000155448006 509003819 /nfs/dbraw/zinc/00/38/19/509003819.db2.gz KUZFFPQDNBCANE-GFCCVEGCSA-N -1 1 356.382 2.986 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(Cc2ccccc2)no1 ZINC000125715512 509020332 /nfs/dbraw/zinc/02/03/32/509020332.db2.gz AQSQHSYJIMJPNG-ZDUSSCGKSA-N -1 1 368.418 2.572 20 30 FFEDMM Cc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(O[C@@H]2CCOC2)c1 ZINC000188733617 509235051 /nfs/dbraw/zinc/23/50/51/509235051.db2.gz DOELWJIHRCCHGD-QGZVFWFLSA-N -1 1 352.390 2.670 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)cn1 ZINC000191983610 509276793 /nfs/dbraw/zinc/27/67/93/509276793.db2.gz AWQROROQDRIGIW-SUMWQHHRSA-N -1 1 354.435 2.743 20 30 FFEDMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1Oc1ccccc1 ZINC000189223730 509471257 /nfs/dbraw/zinc/47/12/57/509471257.db2.gz YCBUXSBEJHXPCN-UHOSZYNNSA-N -1 1 352.390 2.619 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C#N)C(C)(C)C ZINC000267963929 509691017 /nfs/dbraw/zinc/69/10/17/509691017.db2.gz FEPXGQVGLSGXED-HNNXBMFYSA-N -1 1 353.426 2.540 20 30 FFEDMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)o1 ZINC000174767374 510299836 /nfs/dbraw/zinc/29/98/36/510299836.db2.gz RIYIJPKIKFMPHH-UHFFFAOYSA-N -1 1 354.391 2.971 20 30 FFEDMM CCOC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000191018256 510467488 /nfs/dbraw/zinc/46/74/88/510467488.db2.gz VPHGDSNMUOEXES-INIZCTEOSA-N -1 1 356.353 2.827 20 30 FFEDMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)NC(=O)NC(C)(C)C ZINC000330672265 511006172 /nfs/dbraw/zinc/00/61/72/511006172.db2.gz GCSAIZADCGOMNB-LURJTMIESA-N -1 1 366.365 2.510 20 30 FFEDMM C#Cc1cccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281336006 511808832 /nfs/dbraw/zinc/80/88/32/511808832.db2.gz KJGHJSSZJNVHPI-UHFFFAOYSA-N -1 1 353.344 2.590 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc(OC)c1OC ZINC000327696251 511880638 /nfs/dbraw/zinc/88/06/38/511880638.db2.gz AOKYFTSWPBSMJH-UHFFFAOYSA-N -1 1 362.407 2.693 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)s2)o1 ZINC000376371236 512788903 /nfs/dbraw/zinc/78/89/03/512788903.db2.gz ZPPFNQNXDLKQFA-RKDXNWHRSA-N -1 1 373.253 2.810 20 30 FFEDMM C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nn[n-]n1 ZINC000435180679 513529787 /nfs/dbraw/zinc/52/97/87/513529787.db2.gz ATGSMHCMKYBDOO-UHFFFAOYSA-N -1 1 363.834 2.502 20 30 FFEDMM COc1cc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc(OC)c1OC ZINC000442858264 513797981 /nfs/dbraw/zinc/79/79/81/513797981.db2.gz OWJOPDBGBCTQHD-NSHDSACASA-N -1 1 356.378 2.781 20 30 FFEDMM CCOCCOCc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442863932 513798550 /nfs/dbraw/zinc/79/85/50/513798550.db2.gz FBVHWQZXVTTYSP-UHFFFAOYSA-N -1 1 354.406 2.747 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1[O-] ZINC000442939449 513820566 /nfs/dbraw/zinc/82/05/66/513820566.db2.gz CQYRXTGYBOVFQE-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000416581793 513846366 /nfs/dbraw/zinc/84/63/66/513846366.db2.gz FSWGDRMCNSDDJB-UHFFFAOYSA-N -1 1 374.422 2.637 20 30 FFEDMM CCOC(=O)c1sc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)nc1C ZINC000443052011 513853804 /nfs/dbraw/zinc/85/38/04/513853804.db2.gz PFIRZTBKPQLQRY-JTQLQIEISA-N -1 1 359.407 2.697 20 30 FFEDMM C=C[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436587966 513908132 /nfs/dbraw/zinc/90/81/32/513908132.db2.gz YNUMGVYRXCWLFT-GFCCVEGCSA-N -1 1 370.405 2.966 20 30 FFEDMM COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000443293807 513923517 /nfs/dbraw/zinc/92/35/17/513923517.db2.gz YGPOCOMWZZJYSI-UHFFFAOYSA-N -1 1 373.796 2.684 20 30 FFEDMM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)ccc2NC1=O ZINC000443296576 513924808 /nfs/dbraw/zinc/92/48/08/513924808.db2.gz QBXLWDJJFOMYTR-APPDUMDISA-N -1 1 365.389 2.864 20 30 FFEDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)o1 ZINC000431625049 513948648 /nfs/dbraw/zinc/94/86/48/513948648.db2.gz XYBJNVISLRRCIK-AWEZNQCLSA-N -1 1 362.407 2.780 20 30 FFEDMM COc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c([O-])c1 ZINC000436730744 513959885 /nfs/dbraw/zinc/95/98/85/513959885.db2.gz IAZCOZMUZJKRMZ-UHFFFAOYSA-N -1 1 368.780 2.786 20 30 FFEDMM COc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c([O-])c1 ZINC000436738280 513962575 /nfs/dbraw/zinc/96/25/75/513962575.db2.gz SJCATYJEKJKEAH-UHFFFAOYSA-N -1 1 368.780 2.786 20 30 FFEDMM N#Cc1ccc(C(=O)N=c2nc(Cc3ccc(F)cc3F)[n-]s2)cc1O ZINC000443670213 514018737 /nfs/dbraw/zinc/01/87/37/514018737.db2.gz SBRHKODDNVYEPO-UHFFFAOYSA-N -1 1 372.356 2.659 20 30 FFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)cc(I)c1 ZINC000416946320 514059875 /nfs/dbraw/zinc/05/98/75/514059875.db2.gz ASNHGYSKAHTQNS-LLVKDONJSA-N -1 1 364.208 2.644 20 30 FFEDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc21 ZINC000427196175 514147031 /nfs/dbraw/zinc/14/70/31/514147031.db2.gz JMSWPJWYUWNIHR-UHFFFAOYSA-N -1 1 373.409 2.797 20 30 FFEDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427262349 514164648 /nfs/dbraw/zinc/16/46/48/514164648.db2.gz HLIDHBFBJDVRDY-UHFFFAOYSA-N -1 1 365.798 2.723 20 30 FFEDMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2n(C)c1=O ZINC000427307759 514177565 /nfs/dbraw/zinc/17/75/65/514177565.db2.gz JSWDNKGGRAMKML-UHFFFAOYSA-N -1 1 371.393 2.659 20 30 FFEDMM N#Cc1ccc(C(=O)N(CCc2ccccn2)Cc2ccncc2)cc1[O-] ZINC000438116000 514309331 /nfs/dbraw/zinc/30/93/31/514309331.db2.gz QZJBBMZFUWEWEW-UHFFFAOYSA-N -1 1 358.401 2.939 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1Br ZINC000432963939 514336497 /nfs/dbraw/zinc/33/64/97/514336497.db2.gz BBJAOWHTEIGUNA-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM C[C@@H]1C[C@@]1(C#N)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000449819944 514370716 /nfs/dbraw/zinc/37/07/16/514370716.db2.gz KDQGBLPAKYJQJG-UHLUBPPHSA-N -1 1 351.229 2.811 20 30 FFEDMM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000433454220 514496725 /nfs/dbraw/zinc/49/67/25/514496725.db2.gz DSTDYRNVUMFLNA-ZDUSSCGKSA-N -1 1 359.304 2.516 20 30 FFEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)C[C@@H](CC)OC)cc1 ZINC000421153377 514507951 /nfs/dbraw/zinc/50/79/51/514507951.db2.gz LKXNRQFYFBHRGH-QGZVFWFLSA-N -1 1 366.483 2.668 20 30 FFEDMM C=C[C@@H](CC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1ccccc1 ZINC000461455699 514623541 /nfs/dbraw/zinc/62/35/41/514623541.db2.gz FCLACBOECPBKTR-ZDUSSCGKSA-N -1 1 360.435 2.599 20 30 FFEDMM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000508146931 514686870 /nfs/dbraw/zinc/68/68/70/514686870.db2.gz WSHPHJGHTVLUKF-UHFFFAOYSA-N -1 1 354.366 2.989 20 30 FFEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2)n[nH]1 ZINC000475810174 514818652 /nfs/dbraw/zinc/81/86/52/514818652.db2.gz JOLNDLYEHRLFHD-UHFFFAOYSA-N -1 1 353.407 2.647 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000463789026 515617369 /nfs/dbraw/zinc/61/73/69/515617369.db2.gz IDVMEJZOUAFZHT-UHFFFAOYSA-N -1 1 374.418 2.775 20 30 FFEDMM C=CCSc1ccccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000486962259 515699523 /nfs/dbraw/zinc/69/95/23/515699523.db2.gz XPLYMWZMLXHGBC-UHFFFAOYSA-N -1 1 364.448 2.570 20 30 FFEDMM Cc1cn(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)c(=O)[nH]1 ZINC000478681576 515922093 /nfs/dbraw/zinc/92/20/93/515922093.db2.gz PEERHWSTGMIEPK-UHFFFAOYSA-N -1 1 368.418 2.867 20 30 FFEDMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000460436299 516153157 /nfs/dbraw/zinc/15/31/57/516153157.db2.gz KBNBPGJWGKKOLU-UHFFFAOYSA-N -1 1 363.826 2.995 20 30 FFEDMM N#C[C@@H](C(=O)c1cccnn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000528912586 516791910 /nfs/dbraw/zinc/79/19/10/516791910.db2.gz JUXDHXXTGNJYKC-JTQLQIEISA-N -1 1 351.391 2.556 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)c1 ZINC000562053683 516897398 /nfs/dbraw/zinc/89/73/98/516897398.db2.gz DRKIHRKQAXYWIG-HNNXBMFYSA-N -1 1 369.368 2.795 20 30 FFEDMM N#C[C@H](C(=O)c1cncnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000544867715 516968388 /nfs/dbraw/zinc/96/83/88/516968388.db2.gz IFKKHIRLFVOYET-LLVKDONJSA-N -1 1 351.391 2.556 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)CCC1 ZINC000516216499 517621020 /nfs/dbraw/zinc/62/10/20/517621020.db2.gz XPYXESRQFFAZCE-UHFFFAOYSA-N -1 1 366.830 2.503 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000581351835 518242925 /nfs/dbraw/zinc/24/29/25/518242925.db2.gz RJJIXBBCQYHTJA-MNOVXSKESA-N -1 1 355.765 2.981 20 30 FFEDMM N#CC(=C([O-])c1cnn2c1OCCC2)c1nc2ccccc2n1C(F)F ZINC000578827590 518388962 /nfs/dbraw/zinc/38/89/62/518388962.db2.gz SQRQYKZKKXDCPA-JTQLQIEISA-N -1 1 357.320 2.900 20 30 FFEDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000588844168 518847090 /nfs/dbraw/zinc/84/70/90/518847090.db2.gz WJCDAIWMBOAPPB-UHFFFAOYSA-N -1 1 357.435 2.759 20 30 FFEDMM Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(O[C@H]2CCOC2)c1 ZINC000589190719 518946235 /nfs/dbraw/zinc/94/62/35/518946235.db2.gz LJQGLYWKAGTYAH-SFHVURJKSA-N -1 1 352.390 2.670 20 30 FFEDMM N#CC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000568349562 518991826 /nfs/dbraw/zinc/99/18/26/518991826.db2.gz DXVUSTWIKCYNEL-UHFFFAOYSA-N -1 1 373.409 2.660 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)s3)CCCCCC2)no1 ZINC000574147759 519009870 /nfs/dbraw/zinc/00/98/70/519009870.db2.gz FAIJKRKWWDEFBG-UHFFFAOYSA-N -1 1 366.468 2.839 20 30 FFEDMM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc([O-])cc(C#N)c3)nc21 ZINC000590479885 519244569 /nfs/dbraw/zinc/24/45/69/519244569.db2.gz HSMMNOWEHKZZIL-CYBMUJFWSA-N -1 1 371.418 2.956 20 30 FFEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(I)c([O-])c1 ZINC000572173502 519480357 /nfs/dbraw/zinc/48/03/57/519480357.db2.gz GEYDWQJGMFSYIT-LLVKDONJSA-N -1 1 358.179 2.665 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000594847533 520186375 /nfs/dbraw/zinc/18/63/75/520186375.db2.gz YKNPZNODEKZGAV-UHFFFAOYSA-N -1 1 360.819 2.652 20 30 FFEDMM COCCOCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000600664093 520383341 /nfs/dbraw/zinc/38/33/41/520383341.db2.gz SWABLJNOLIHZFV-UHFFFAOYSA-N -1 1 360.435 2.831 20 30 FFEDMM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1c([O-])cccc1F ZINC000609851217 520456961 /nfs/dbraw/zinc/45/69/61/520456961.db2.gz VGMPADNPLDYHKT-UHFFFAOYSA-N -1 1 353.357 2.634 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000610339550 520641908 /nfs/dbraw/zinc/64/19/08/520641908.db2.gz ZQAGOPAEBTXSFQ-SNVBAGLBSA-N -1 1 352.362 2.885 20 30 FFEDMM CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c(C#N)c1C ZINC000610774091 520837696 /nfs/dbraw/zinc/83/76/96/520837696.db2.gz UCRFKEKVRFIZHW-UHFFFAOYSA-N -1 1 360.351 2.660 20 30 FFEDMM COc1cccc(N2CCC[C@@H](NC(=O)c3cc([O-])cc(C#N)c3)C2)c1 ZINC000614299371 520897127 /nfs/dbraw/zinc/89/71/27/520897127.db2.gz HJXROGNODBCUQN-MRXNPFEDSA-N -1 1 351.406 2.671 20 30 FFEDMM CCNC(=O)c1cc(NC(=O)c2cc([O-])cc(C#N)c2)nc2ccccc21 ZINC000614302648 520898101 /nfs/dbraw/zinc/89/81/01/520898101.db2.gz UYCLXBAZDKXJMU-UHFFFAOYSA-N -1 1 360.373 2.814 20 30 FFEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1C ZINC000614468314 520984709 /nfs/dbraw/zinc/98/47/09/520984709.db2.gz UVIMYJDXNKRRHW-LLVKDONJSA-N -1 1 367.434 2.808 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CCC1 ZINC000599386811 521191684 /nfs/dbraw/zinc/19/16/84/521191684.db2.gz ZEIKPODPJORMFF-TZMCWYRMSA-N -1 1 374.384 2.534 20 30 FFEDMM COc1cccc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2nccn2C)c1 ZINC000615442820 521406372 /nfs/dbraw/zinc/40/63/72/521406372.db2.gz RCHULSRFSASAHA-GOSISDBHSA-N -1 1 362.389 2.525 20 30 FFEDMM CC(C#N)=C([O-])N=c1cc(-c2ccc(I)cc2)[nH][nH]1 ZINC000525490322 562249279 /nfs/dbraw/zinc/24/92/79/562249279.db2.gz PRRAFXYXIYUVOF-QMMMGPOBSA-N -1 1 366.162 2.779 20 30 FFEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1Cl ZINC000737673823 599031613 /nfs/dbraw/zinc/03/16/13/599031613.db2.gz DJYIFILTJGMUDJ-LBPRGKRZSA-N -1 1 374.191 2.563 20 30 FFEDMM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1Cl ZINC000737673823 599031615 /nfs/dbraw/zinc/03/16/15/599031615.db2.gz DJYIFILTJGMUDJ-LBPRGKRZSA-N -1 1 374.191 2.563 20 30 FFEDMM CN(CCC#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736793784 598399915 /nfs/dbraw/zinc/39/99/15/598399915.db2.gz ZJMLHQIDNXJMQE-UHFFFAOYSA-N -1 1 366.356 2.784 20 30 FFEDMM CN(CCC#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736793784 598399916 /nfs/dbraw/zinc/39/99/16/598399916.db2.gz ZJMLHQIDNXJMQE-UHFFFAOYSA-N -1 1 366.356 2.784 20 30 FFEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000833073880 601311003 /nfs/dbraw/zinc/31/10/03/601311003.db2.gz JKWLDZLNOAWYFW-IBGZPJMESA-N -1 1 363.417 2.532 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000825967633 601525149 /nfs/dbraw/zinc/52/51/49/601525149.db2.gz XORZKMHBJAEQTD-MGPQQGTHSA-N -1 1 361.467 2.529 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000827217335 601935147 /nfs/dbraw/zinc/93/51/47/601935147.db2.gz BXXNTSPVFRDFMJ-SCLBCKFNSA-N -1 1 361.467 2.816 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000825966669 602224181 /nfs/dbraw/zinc/22/41/81/602224181.db2.gz JRJNCYOUJWXIFC-MLGOLLRUSA-N -1 1 363.483 2.966 20 30 FFEDMM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCCC1 ZINC000740303238 602670154 /nfs/dbraw/zinc/67/01/54/602670154.db2.gz HTVNXTKFUYPTKW-IRXDYDNUSA-N -1 1 371.437 2.933 20 30 FFEDMM Cc1cc[nH]c2nc([C@H](C#N)C(=O)c3ccc(F)c(NC(=O)[O-])c3)nc1-2 ZINC000830610874 604189680 /nfs/dbraw/zinc/18/96/80/604189680.db2.gz CVOPISFSZHHGSU-SNVBAGLBSA-N -1 1 353.313 2.985 20 30 FFEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(N2CCCS2(=O)=O)cc1 ZINC000741163312 605099426 /nfs/dbraw/zinc/09/94/26/605099426.db2.gz KMROPQAFFMDYIJ-UHFFFAOYSA-N -1 1 373.434 2.761 20 30 FFEDMM C=CCN1C(=O)N=NC1S[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833380481 605149173 /nfs/dbraw/zinc/14/91/73/605149173.db2.gz HESLBBVRHVHFLN-SNVBAGLBSA-N -1 1 370.228 2.850 20 30 FFEDMM C=CCn1c(=O)[nH]nc1SCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833380521 605153666 /nfs/dbraw/zinc/15/36/66/605153666.db2.gz ISRUUQQSHWLRIV-UHFFFAOYSA-N -1 1 358.379 2.815 20 30 FFEDMM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826209739 608091904 /nfs/dbraw/zinc/09/19/04/608091904.db2.gz OJPYCBZEARDOIP-UHFFFAOYSA-N -1 1 373.467 2.647 20 30 FFEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(-c2ccncc2)n1 ZINC000826359272 608092888 /nfs/dbraw/zinc/09/28/88/608092888.db2.gz BFUVMYCPEFYNAM-NSCUHMNNSA-N -1 1 363.406 2.620 20 30 FFEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(-c2ccncc2)n1 ZINC000826359272 608092889 /nfs/dbraw/zinc/09/28/89/608092889.db2.gz BFUVMYCPEFYNAM-NSCUHMNNSA-N -1 1 363.406 2.620 20 30 FFEDMM Cn1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c(C(C)(C)C)n1 ZINC000826360207 608752533 /nfs/dbraw/zinc/75/25/33/608752533.db2.gz BHNMGWRDYXSFEQ-UHFFFAOYSA-N -1 1 371.449 2.629 20 30 FFEDMM N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000746352878 735478419 /nfs/dbraw/zinc/47/84/19/735478419.db2.gz XKEDKGINBJLRSV-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM O=S(=O)(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1c[n-]cn1 ZINC000122176289 728644838 /nfs/dbraw/zinc/64/48/38/728644838.db2.gz GSTRLBPOPDPKNC-JTQLQIEISA-N -1 1 354.737 2.942 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000185288677 729346133 /nfs/dbraw/zinc/34/61/33/729346133.db2.gz IJMVKSSVCKNABC-LLVKDONJSA-N -1 1 364.373 2.517 20 30 FFEDMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000194138031 729500661 /nfs/dbraw/zinc/50/06/61/729500661.db2.gz ZNCYOVIAPOWEMN-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM C=CCCO[N-]C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000856030691 730299808 /nfs/dbraw/zinc/29/98/08/730299808.db2.gz MOQVBEGEGUKLFR-ZDUSSCGKSA-N -1 1 356.344 2.678 20 30 FFEDMM Cc1cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000779774753 738483572 /nfs/dbraw/zinc/48/35/72/738483572.db2.gz LHMYVIWSASLJNJ-UHFFFAOYSA-N -1 1 353.787 2.869 20 30 FFEDMM O=C(C#CC1CC1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871318283 731618983 /nfs/dbraw/zinc/61/89/83/731618983.db2.gz XTRSBBHHYMHSOV-ZDUSSCGKSA-N -1 1 350.340 2.599 20 30 FFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1F ZINC000782919030 738764589 /nfs/dbraw/zinc/76/45/89/738764589.db2.gz LENHPRPOYSDITJ-UHFFFAOYSA-N -1 1 363.370 2.985 20 30 FFEDMM COc1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc(Cl)c1[O-] ZINC000887781884 733975204 /nfs/dbraw/zinc/97/52/04/733975204.db2.gz KLHXDRGLSVVCBQ-UHFFFAOYSA-N -1 1 351.786 2.532 20 30 FFEDMM C#C[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(C)(C)C ZINC000702256469 734356032 /nfs/dbraw/zinc/35/60/32/734356032.db2.gz LSKXVQWCRBMEKZ-GFCCVEGCSA-N -1 1 357.191 2.775 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000783512757 738810530 /nfs/dbraw/zinc/81/05/30/738810530.db2.gz BZEUKZSEPKZOOS-UHFFFAOYSA-N -1 1 365.386 2.968 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(SC)o2)cc1OC ZINC000732901369 734773852 /nfs/dbraw/zinc/77/38/52/734773852.db2.gz PBXRUUBNGRJKGK-LLVKDONJSA-N -1 1 360.391 2.980 20 30 FFEDMM COc1ccc(OC(F)F)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000732926729 734777026 /nfs/dbraw/zinc/77/70/26/734777026.db2.gz SXOVHBWUDAJSMF-SJDLMVEWSA-N -1 1 352.289 2.525 20 30 FFEDMM C#CC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000733885816 734856320 /nfs/dbraw/zinc/85/63/20/734856320.db2.gz WCQOWMAHJZOMEF-UHFFFAOYSA-N -1 1 356.447 2.937 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cnc2ccsc2c1 ZINC000739412214 735050856 /nfs/dbraw/zinc/05/08/56/735050856.db2.gz WKQGNENYHCCREY-UHFFFAOYSA-N -1 1 356.432 2.759 20 30 FFEDMM O=C(NO)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000742825053 735257614 /nfs/dbraw/zinc/25/76/14/735257614.db2.gz XFSMJLAVNQQBTB-UHFFFAOYSA-N -1 1 360.313 2.625 20 30 FFEDMM COc1ccc([C@H](C)C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000747629140 735575587 /nfs/dbraw/zinc/57/55/87/735575587.db2.gz DTMFPFYZCGCWLL-GFCCVEGCSA-N -1 1 357.435 2.913 20 30 FFEDMM [O-]c1c(O)cc(C=Nn2cc(Br)cn2)cc1Br ZINC000752743510 736008988 /nfs/dbraw/zinc/00/89/88/736008988.db2.gz ULTBFEHFHXZSKM-UHFFFAOYSA-N -1 1 360.993 2.702 20 30 FFEDMM NC(=O)c1cccc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)c1 ZINC000755591187 736263464 /nfs/dbraw/zinc/26/34/64/736263464.db2.gz SBTIMNZMICVUBX-UHFFFAOYSA-N -1 1 369.475 2.840 20 30 FFEDMM CC(C)CCNC(=S)NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000757562799 736409969 /nfs/dbraw/zinc/40/99/69/736409969.db2.gz FDRFSNAFAXTIHM-UHFFFAOYSA-N -1 1 360.277 2.704 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2F)cc1 ZINC000760153643 736618258 /nfs/dbraw/zinc/61/82/58/736618258.db2.gz ISJHJSJTZDGTBH-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM C=C(Cl)C[C@H](NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908927087 736859357 /nfs/dbraw/zinc/85/93/57/736859357.db2.gz ZWZLEXJVNWEIPC-KBPBESRZSA-N -1 1 369.849 2.620 20 30 FFEDMM C=C(Cl)C[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909121661 736886743 /nfs/dbraw/zinc/88/67/43/736886743.db2.gz CAVMRTCQAHGVLJ-ZIAGYGMSSA-N -1 1 374.268 2.838 20 30 FFEDMM Cc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000766455454 737231220 /nfs/dbraw/zinc/23/12/20/737231220.db2.gz PTCSCCVYHFCTMQ-UHFFFAOYSA-N -1 1 353.787 2.869 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000766482317 737233800 /nfs/dbraw/zinc/23/38/00/737233800.db2.gz ITVGNNLYASCUSH-UHFFFAOYSA-N -1 1 356.382 2.527 20 30 FFEDMM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000766570979 737243058 /nfs/dbraw/zinc/24/30/58/737243058.db2.gz QMGMPPONGIZXSC-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM C=C(C)C[C@@H](C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000767696578 737356261 /nfs/dbraw/zinc/35/62/61/737356261.db2.gz QDXRWCOAKFOCRD-LLVKDONJSA-N -1 1 355.337 2.690 20 30 FFEDMM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1OC(F)F ZINC000767959847 737386411 /nfs/dbraw/zinc/38/64/11/737386411.db2.gz MIMPAMIDGMEETL-QMMMGPOBSA-N -1 1 368.727 2.636 20 30 FFEDMM O=C([N-]C[C@H](CO)Cc1ccccc1C(F)(F)F)C(F)(F)C(F)F ZINC000769617749 737547230 /nfs/dbraw/zinc/54/72/30/737547230.db2.gz WDGBCAFVDHWHPE-MRVPVSSYSA-N -1 1 361.257 2.873 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cc(Br)cs2)c2ccccc21 ZINC000914600097 737585755 /nfs/dbraw/zinc/58/57/55/737585755.db2.gz NIDVFCIAZRATIO-UHFFFAOYSA-N -1 1 370.253 2.583 20 30 FFEDMM CC(C)(C)n1cnc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000813059802 741672333 /nfs/dbraw/zinc/67/23/33/741672333.db2.gz IFZMVVLYVTWPKQ-SNVBAGLBSA-N -1 1 363.780 2.787 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000773057151 737866638 /nfs/dbraw/zinc/86/66/38/737866638.db2.gz APKAATIYMTUGTJ-UHFFFAOYSA-N -1 1 358.379 2.559 20 30 FFEDMM O=C1Nc2ccc(Br)c(Cl)c2C1=N[N-]c1cccnn1 ZINC000788019465 739198135 /nfs/dbraw/zinc/19/81/35/739198135.db2.gz ADEAMKNQTORENA-UHFFFAOYSA-N -1 1 352.579 2.661 20 30 FFEDMM C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2c([O-])ccc(Cl)c2F)C1=O ZINC000790151403 739422884 /nfs/dbraw/zinc/42/28/84/739422884.db2.gz ZYNCGPRJACVDJT-KRWDZBQOSA-N -1 1 361.760 2.986 20 30 FFEDMM O=c1nc(N=NCCCc2c(Cl)cccc2Cl)nc2[nH][n-]cc1-2 ZINC000790160991 739423251 /nfs/dbraw/zinc/42/32/51/739423251.db2.gz ASNQRVVUMSBJGI-UHFFFAOYSA-N -1 1 351.197 2.769 20 30 FFEDMM O=c1nc(NN=Cc2c[nH]c3cc(Cl)cc(Cl)c23)nc2[nH][n-]cc1-2 ZINC000790162677 739423877 /nfs/dbraw/zinc/42/38/77/739423877.db2.gz ZVPHXAJJMFSCNE-UHFFFAOYSA-N -1 1 362.180 2.666 20 30 FFEDMM COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000793429295 739780660 /nfs/dbraw/zinc/78/06/60/739780660.db2.gz OXWIDNUCGFODEA-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccc(F)cc1 ZINC000812526034 741629468 /nfs/dbraw/zinc/62/94/68/741629468.db2.gz AKOZVVYQYCHWME-OAHLLOKOSA-N -1 1 355.337 2.765 20 30 FFEDMM C#CC[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)OC ZINC000817612369 742181247 /nfs/dbraw/zinc/18/12/47/742181247.db2.gz NWZCAJFOYXLJED-LLVKDONJSA-N -1 1 350.148 2.766 20 30 FFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OC[C@H]2CCOC2)s1 ZINC000819509802 742400029 /nfs/dbraw/zinc/40/00/29/742400029.db2.gz IDQYVYQHABENBM-NSHDSACASA-N -1 1 362.904 2.923 20 30 FFEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000819898173 742441535 /nfs/dbraw/zinc/44/15/35/742441535.db2.gz SLUUGZXGQDMASH-JGVFFNPUSA-N -1 1 364.210 2.872 20 30 FFEDMM C[C@H]1CCCC[C@H]1NC(=S)NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844565377 748052625 /nfs/dbraw/zinc/05/26/25/748052625.db2.gz GBIIJAVGTNLMGF-XHDPSFHLSA-N -1 1 357.483 2.742 20 30 FFEDMM C=CCCCC(=O)NCC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573334520 947457082 /nfs/dbraw/zinc/45/70/82/947457082.db2.gz FEWZHWPGBSNBCP-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCCC(=O)NCC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573334520 947457088 /nfs/dbraw/zinc/45/70/88/947457088.db2.gz FEWZHWPGBSNBCP-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001593757253 954468205 /nfs/dbraw/zinc/46/82/05/954468205.db2.gz XDPDFPZVGOTOSV-YLJYHZDGSA-N -1 1 357.454 2.504 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1ccc(CC#N)cc1 ZINC000785257204 972204481 /nfs/dbraw/zinc/20/44/81/972204481.db2.gz MXBIVIXPJMBFFL-UHFFFAOYSA-N -1 1 364.405 2.794 20 30 FFEDMM C=CCN1CC[C@@]2(CCCN2C(=O)c2cc3ccccc3cc2[O-])C1=O ZINC001270865253 967354658 /nfs/dbraw/zinc/35/46/58/967354658.db2.gz GHNBGZJFXLQMRL-NRFANRHFSA-N -1 1 350.418 2.939 20 30 FFEDMM CCC1(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)COC1 ZINC001143453042 967827855 /nfs/dbraw/zinc/82/78/55/967827855.db2.gz NQPAJZXSUBFUPX-QGMBQPNBSA-N -1 1 358.423 2.587 20 30 FFEDMM Cc1c(Cl)cnc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1C#N ZINC001167935897 978191098 /nfs/dbraw/zinc/19/10/98/978191098.db2.gz UKNKPTYLDZATKY-UHFFFAOYSA-N -1 1 363.741 3.000 20 30 FFEDMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1CC#Cc1cccc(Cl)c1 ZINC001088538941 980481970 /nfs/dbraw/zinc/48/19/70/980481970.db2.gz ZFIKBSKKRYUBBI-PBHICJAKSA-N -1 1 369.852 2.685 20 30 FFEDMM C=CCn1c(C2CCC2)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908640751 981484450 /nfs/dbraw/zinc/48/44/50/981484450.db2.gz YGBPQHBZRFDTNO-CYBMUJFWSA-N -1 1 356.430 2.577 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000909136271 981637014 /nfs/dbraw/zinc/63/70/14/981637014.db2.gz FYLBJGJAEYABRC-MAUKXSAKSA-N -1 1 374.485 2.716 20 30 FFEDMM C=CCC[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000909719224 981695571 /nfs/dbraw/zinc/69/55/71/981695571.db2.gz ZEOGFFWFXHMUIK-LPHOPBHVSA-N -1 1 358.482 2.865 20 30 FFEDMM O=C1Nc2cc3c(cc2C1=N[N-]c1ncnc2ccsc21)OCCCO3 ZINC000764841663 984738718 /nfs/dbraw/zinc/73/87/18/984738718.db2.gz UNXGDIRWTYXUTD-UHFFFAOYSA-N -1 1 367.390 2.621 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC3CC2(C(=O)[O-])C3)c1C#N ZINC001599973384 986047063 /nfs/dbraw/zinc/04/70/63/986047063.db2.gz QIRPGAXJMLBCPT-UHFFFAOYSA-N -1 1 370.453 2.579 20 30 FFEDMM COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC001599590237 993670683 /nfs/dbraw/zinc/67/06/83/993670683.db2.gz KKYDVMNASJEEJJ-VIFPVBQESA-N -1 1 362.725 2.601 20 30 FFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(N2CCOCC2)cc1 ZINC000809627672 994561032 /nfs/dbraw/zinc/56/10/32/994561032.db2.gz ZMPOBYXRBSQORM-CQSZACIVSA-N -1 1 351.406 2.591 20 30 FFEDMM CCCCCC[C@H](CC)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001170590958 994653071 /nfs/dbraw/zinc/65/30/71/994653071.db2.gz PUGPQOJGJSSSJP-KBPBESRZSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCCC[C@H](CC)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001170590958 994653074 /nfs/dbraw/zinc/65/30/74/994653074.db2.gz PUGPQOJGJSSSJP-KBPBESRZSA-N -1 1 356.469 2.751 20 30 FFEDMM CC(=CN=Nc1nc2[nH][n-]cc-2c(=O)n1)Cc1ccccc1OC(F)F ZINC000811642394 995206874 /nfs/dbraw/zinc/20/68/74/995206874.db2.gz PIOMTLYISCBTIM-LXWNBQBPSA-N -1 1 360.324 2.535 20 30 FFEDMM C#CCN(C)c1cnc(-c2noc(-c3cc(Cl)c([O-])c(OC)c3)n2)cn1 ZINC000813342191 995670071 /nfs/dbraw/zinc/67/00/71/995670071.db2.gz DICNRONBDQMULZ-UHFFFAOYSA-N -1 1 371.784 2.631 20 30 FFEDMM C[C@@H](Oc1ccc(CN2CCN(c3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC001593614517 995823247 /nfs/dbraw/zinc/82/32/47/995823247.db2.gz BIVFEUSJUVKMAP-MRXNPFEDSA-N -1 1 365.433 2.732 20 30 FFEDMM COC(=O)c1ccc(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)c(OC)c1 ZINC000844590387 998006197 /nfs/dbraw/zinc/00/61/97/998006197.db2.gz VAHSHNCRPBCHSH-UHFFFAOYSA-N -1 1 366.377 2.607 20 30 FFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001599348014 998044460 /nfs/dbraw/zinc/04/44/60/998044460.db2.gz QCUCEVPAWYCWOE-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c([O-])cc2F)C[C@H]1C#N ZINC001144657971 1000187959 /nfs/dbraw/zinc/18/79/59/1000187959.db2.gz PEAJZMYVZZIYGX-GFCCVEGCSA-N -1 1 353.369 2.615 20 30 FFEDMM COc1ccccc1CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)C(C)C ZINC000769819503 1000598460 /nfs/dbraw/zinc/59/84/60/1000598460.db2.gz SUSLZMBUBWTJFL-UHFFFAOYSA-N -1 1 354.414 2.744 20 30 FFEDMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]2C(=O)N([O-])C(=N)c1ccccc1N ZINC001146306445 1000654378 /nfs/dbraw/zinc/65/43/78/1000654378.db2.gz ISURXPOEOMWKME-CORIIIEPSA-N -1 1 374.441 2.600 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771557384 1001148827 /nfs/dbraw/zinc/14/88/27/1001148827.db2.gz DREMQLRGDZHTII-UHFFFAOYSA-N -1 1 368.437 2.591 20 30 FFEDMM CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2[O-])c(Cl)c1 ZINC001149021267 1001251138 /nfs/dbraw/zinc/25/11/38/1001251138.db2.gz OQDVKSNZJDFGFM-UHFFFAOYSA-N -1 1 350.783 2.573 20 30 FFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000785517283 1001447434 /nfs/dbraw/zinc/44/74/34/1001447434.db2.gz IXMZRCXGVABNKF-UHFFFAOYSA-N -1 1 359.426 2.735 20 30 FFEDMM Cc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c2ccccn12 ZINC000786526561 1001597182 /nfs/dbraw/zinc/59/71/82/1001597182.db2.gz FLOPBTAJIAGKMX-HNNXBMFYSA-N -1 1 366.808 2.935 20 30 FFEDMM CC(C)N1CC[C@H]1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001182829152 1002066773 /nfs/dbraw/zinc/06/67/73/1002066773.db2.gz UMXFKRIFGWRFMC-UZPSYVQNSA-N -1 1 371.466 2.643 20 30 FFEDMM Cc1cc([O-])c(C(=O)N2CCCC[C@H]2C#N)cc1I ZINC001196131618 1003672322 /nfs/dbraw/zinc/67/23/22/1003672322.db2.gz LTEZWGGMXLINTQ-JTQLQIEISA-N -1 1 370.190 2.824 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC[C@H](n4ccnn4)C3)c2)c1 ZINC001196319479 1003741662 /nfs/dbraw/zinc/74/16/62/1003741662.db2.gz VJOGKLWRZVGEFU-IBGZPJMESA-N -1 1 373.416 3.000 20 30 FFEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)Nc1c(C#N)oc2ccccc21 ZINC001196723953 1003929904 /nfs/dbraw/zinc/92/99/04/1003929904.db2.gz ZSWPHLDUBKQIOE-UHFFFAOYSA-N -1 1 361.404 2.990 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1Br ZINC001197271862 1004150814 /nfs/dbraw/zinc/15/08/14/1004150814.db2.gz UBWPEFZYFINOCE-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM Cc1cnc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)c(F)c1 ZINC001197287407 1004164217 /nfs/dbraw/zinc/16/42/17/1004164217.db2.gz RVJZTYONTNVQHZ-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM C#Cc1cccc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000806183805 1004251148 /nfs/dbraw/zinc/25/11/48/1004251148.db2.gz KNSGNKGGXXRBGH-HUBLWGQQSA-N -1 1 367.371 2.977 20 30 FFEDMM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1scc([O-])c1C#N ZINC001192717938 1004256623 /nfs/dbraw/zinc/25/66/23/1004256623.db2.gz GOIRHADJHGAUOY-ZDUSSCGKSA-N -1 1 359.407 2.621 20 30 FFEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)nc2)c(F)c1 ZINC001198314073 1004574765 /nfs/dbraw/zinc/57/47/65/1004574765.db2.gz ODEVXKMAQJUMOT-UHFFFAOYSA-N -1 1 350.371 2.673 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C)c(C#N)c2)c(F)c1 ZINC001194613342 1004782152 /nfs/dbraw/zinc/78/21/52/1004782152.db2.gz GMZCBBODSVBKKD-UHFFFAOYSA-N -1 1 352.362 2.632 20 30 FFEDMM C#CC1([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2F)CC1 ZINC001195443217 1004960975 /nfs/dbraw/zinc/96/09/75/1004960975.db2.gz INZFMYBIYLMDFF-UHFFFAOYSA-N -1 1 352.612 2.686 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1(C)CC1 ZINC001195643659 1005007092 /nfs/dbraw/zinc/00/70/92/1005007092.db2.gz YTTSNSIRCLEXGL-QMMMGPOBSA-N -1 1 361.236 2.927 20 30 FFEDMM CCOc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc(C(=O)OC)c1 ZINC001201320333 1005199177 /nfs/dbraw/zinc/19/91/77/1005199177.db2.gz WRNYEIDZQVIWKM-UHFFFAOYSA-N -1 1 374.418 2.853 20 30 FFEDMM C#CCOc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000108290506 1005640548 /nfs/dbraw/zinc/64/05/48/1005640548.db2.gz ASUCWPLPPWFEDE-UHFFFAOYSA-N -1 1 364.405 2.635 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1[nH]ncc1Cl ZINC001187832520 1006287214 /nfs/dbraw/zinc/28/72/14/1006287214.db2.gz WFQNCOYCYGALEZ-UBKPWBPPSA-N -1 1 374.813 2.850 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1c(C#N)ccc(F)c1F ZINC001188004285 1006362339 /nfs/dbraw/zinc/36/23/39/1006362339.db2.gz KMSRSWJONVHCES-UHFFFAOYSA-N -1 1 365.361 2.850 20 30 FFEDMM C#CCCCOc1cccnc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000853637242 1006490358 /nfs/dbraw/zinc/49/03/58/1006490358.db2.gz OTUNNNAMPGWCQY-CQSZACIVSA-N -1 1 369.387 2.769 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)ccn1 ZINC001188424554 1006555461 /nfs/dbraw/zinc/55/54/61/1006555461.db2.gz UAHPECRXUPATSB-UHFFFAOYSA-N -1 1 353.378 2.982 20 30 FFEDMM N#Cc1cccc([N-]S(=O)(=O)Cc2cccc(Br)c2)n1 ZINC001188648506 1006648059 /nfs/dbraw/zinc/64/80/59/1006648059.db2.gz NMISCVFBHFUKQD-UHFFFAOYSA-N -1 1 352.213 2.658 20 30 FFEDMM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cnc21 ZINC001116195378 1032183991 /nfs/dbraw/zinc/18/39/91/1032183991.db2.gz DQWXDUZCDWZVRN-UHFFFAOYSA-N -1 1 355.423 2.879 20 30 FFEDMM Cn1ncc2c1[n-]c(NN=C1C[C@H](OCc3ccccc3)C1(C)C)nc2=O ZINC000776769127 1007058838 /nfs/dbraw/zinc/05/88/38/1007058838.db2.gz BORKUYGGDPGFBQ-HNNXBMFYSA-N -1 1 366.425 2.852 20 30 FFEDMM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189472457 1007089309 /nfs/dbraw/zinc/08/93/09/1007089309.db2.gz QLOPWLAEDQYZCG-AWEZNQCLSA-N -1 1 361.410 2.528 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC12CCN(C(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000817670272 1007700303 /nfs/dbraw/zinc/70/03/03/1007700303.db2.gz KQPMRXPUZRUBLW-UHFFFAOYSA-N -1 1 371.437 2.879 20 30 FFEDMM CC(C)[C@@H](CCNC(=O)c1cc([O-])cc(C#N)c1)NC(=O)OC(C)(C)C ZINC000856191518 1007720427 /nfs/dbraw/zinc/72/04/27/1007720427.db2.gz FVVYRCDLXVKHPU-MRXNPFEDSA-N -1 1 361.442 2.933 20 30 FFEDMM CO[C@H]1C[C@H]2CC(=NNc3nc(=O)c4cnn(C(C)(C)C)c4[n-]3)C[C@H]2C1 ZINC000819807176 1008236686 /nfs/dbraw/zinc/23/66/86/1008236686.db2.gz AMFFFSGBZIYKCB-PJXYFTJBSA-N -1 1 358.446 2.890 20 30 FFEDMM Cc1ccnn1CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000860451386 1009009945 /nfs/dbraw/zinc/00/99/45/1009009945.db2.gz AEFPERXHTXTCST-LBPRGKRZSA-N -1 1 367.434 2.657 20 30 FFEDMM N#Cc1ccc(C2(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)CCCC2)cc1 ZINC000861537873 1009454543 /nfs/dbraw/zinc/45/45/43/1009454543.db2.gz FRAXCUSHAMJNMB-UHFFFAOYSA-N -1 1 366.421 2.865 20 30 FFEDMM CC(C)COCC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001180749645 1009819699 /nfs/dbraw/zinc/81/96/99/1009819699.db2.gz BSJGRHXGPWTXLL-QGMBQPNBSA-N -1 1 360.439 2.833 20 30 FFEDMM O=C(C[C@@H]1CCOC1)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001180918339 1009893981 /nfs/dbraw/zinc/89/39/81/1009893981.db2.gz BTEXCXAMHIKNNY-BEAUZRKQSA-N -1 1 358.423 2.587 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)[C@@H]1CCCC[C@H]1O ZINC001181084230 1009960021 /nfs/dbraw/zinc/96/00/21/1009960021.db2.gz HVOZTMRBSAJOEB-MDCKCIHZSA-N -1 1 372.450 2.711 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)COc1ccc(OC(F)(F)F)cc1 ZINC001181321702 1010073260 /nfs/dbraw/zinc/07/32/60/1010073260.db2.gz BMROIHYBZJNJDF-UHFFFAOYSA-N -1 1 369.299 2.790 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnn(-c2cccc(Cl)c2)n1 ZINC000777302569 1010477206 /nfs/dbraw/zinc/47/72/06/1010477206.db2.gz PPNOHJHZRZJABU-HNNXBMFYSA-N -1 1 365.780 2.882 20 30 FFEDMM COCC(=O)N1CCc2cc(N[C@@H](C)c3cccc(C#N)c3[O-])ccc21 ZINC000866344681 1010981318 /nfs/dbraw/zinc/98/13/18/1010981318.db2.gz ZEYVLBYVIOMWOQ-ZDUSSCGKSA-N -1 1 351.406 2.972 20 30 FFEDMM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc([O-])cnc1Cl ZINC001275035412 1011844633 /nfs/dbraw/zinc/84/46/33/1011844633.db2.gz UGXNMBFYMJQVJB-SFHVURJKSA-N -1 1 363.845 2.614 20 30 FFEDMM CCCC[C@H](CC(C)C)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001173258399 1012375165 /nfs/dbraw/zinc/37/51/65/1012375165.db2.gz TYMCQOULYITBGW-KGLIPLIRSA-N -1 1 356.469 2.607 20 30 FFEDMM CCCC[C@H](CC(C)C)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001173258399 1012375179 /nfs/dbraw/zinc/37/51/79/1012375179.db2.gz TYMCQOULYITBGW-KGLIPLIRSA-N -1 1 356.469 2.607 20 30 FFEDMM N#CC1(CC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC000871315409 1012851259 /nfs/dbraw/zinc/85/12/59/1012851259.db2.gz IIGUSOJMUABZCO-GFCCVEGCSA-N -1 1 365.355 2.879 20 30 FFEDMM N#CC1(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC000871315917 1012851398 /nfs/dbraw/zinc/85/13/98/1012851398.db2.gz NTDWMAQGAVZCIE-LBPRGKRZSA-N -1 1 365.355 2.879 20 30 FFEDMM CN(CCc1cccc(C#N)c1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927789428 1018667995 /nfs/dbraw/zinc/66/79/95/1018667995.db2.gz SOHWREURYBBUFA-UHFFFAOYSA-N -1 1 359.376 2.969 20 30 FFEDMM C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)c3ncccc3[O-])C2)C1 ZINC001009554392 1021409273 /nfs/dbraw/zinc/40/92/73/1021409273.db2.gz PZQWPXMQTABDSP-BTYIYWSLSA-N -1 1 369.465 2.502 20 30 FFEDMM C[C@@H](Cn1ccc2ccccc21)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001117113996 1021573409 /nfs/dbraw/zinc/57/34/09/1021573409.db2.gz YYALJTPRZONWSV-ZDUSSCGKSA-N -1 1 367.430 2.543 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)Nc2cccc(CC#N)c2)[n-]c1=O ZINC001218102395 1032996135 /nfs/dbraw/zinc/99/61/35/1032996135.db2.gz AEXKCXZAEWNMDH-AWEZNQCLSA-N -1 1 353.382 2.626 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001122582241 1023350504 /nfs/dbraw/zinc/35/05/04/1023350504.db2.gz YJDSZSHTQKJHDJ-OAHLLOKOSA-N -1 1 350.373 2.576 20 30 FFEDMM COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)c([N+](=O)[O-])cc1OC ZINC000757471783 1023822909 /nfs/dbraw/zinc/82/29/09/1023822909.db2.gz DULQKTDRCFGCRB-HYXAFXHYSA-N -1 1 373.317 2.912 20 30 FFEDMM COCCOc1cc2c(cc1/C=C/C(=O)c1cc(O)ccc1[O-])OCO2 ZINC000757468708 1023822922 /nfs/dbraw/zinc/82/29/22/1023822922.db2.gz VSTCGAGOFPVJFL-DUXPYHPUSA-N -1 1 358.346 2.748 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 ZINC001121659174 1023908483 /nfs/dbraw/zinc/90/84/83/1023908483.db2.gz CZUWTTLKBRDIHE-LBPRGKRZSA-N -1 1 354.414 2.766 20 30 FFEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc3c[nH]nc32)C1=O ZINC000194361913 1024791301 /nfs/dbraw/zinc/79/13/01/1024791301.db2.gz LILCPKMBOBGOJZ-IBGZPJMESA-N -1 1 371.441 2.879 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(Nc2cccn(CC3CC3)c2=O)n1 ZINC001158527001 1027052953 /nfs/dbraw/zinc/05/29/53/1027052953.db2.gz CMVZKQIXFVHOBB-REZTVBANSA-N -1 1 365.846 2.975 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cn2ccc(C(F)(F)F)cc2n1 ZINC001153293766 1027822759 /nfs/dbraw/zinc/82/27/59/1027822759.db2.gz PRMKASGDQFZCKW-UHFFFAOYSA-N -1 1 363.299 2.792 20 30 FFEDMM Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc([O-])c(F)cc3F)CC2)o1 ZINC001160917388 1027921261 /nfs/dbraw/zinc/92/12/61/1027921261.db2.gz SBKVNMZOMXRZOR-UHFFFAOYSA-N -1 1 362.336 2.694 20 30 FFEDMM N#Cc1c(F)ccc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c1F ZINC001155227571 1028634981 /nfs/dbraw/zinc/63/49/81/1028634981.db2.gz AIFPENKIFUKXEK-UHFFFAOYSA-N -1 1 358.256 2.606 20 30 FFEDMM Cc1nc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c(Cl)cc1C#N ZINC001157164987 1029487669 /nfs/dbraw/zinc/48/76/69/1029487669.db2.gz JKMCGJJAYDCJGD-UHFFFAOYSA-N -1 1 363.741 3.000 20 30 FFEDMM Cc1c(C#N)cccc1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799222559 1031704820 /nfs/dbraw/zinc/70/48/20/1031704820.db2.gz BRQOTGIYOVSLCU-UHFFFAOYSA-N -1 1 368.359 2.789 20 30 FFEDMM COC[C@H](C)OC[C@@H](C)OC[C@H](C)O/C(=N\[O-])c1cc(F)ccc1F ZINC001223888186 1033627333 /nfs/dbraw/zinc/62/73/33/1033627333.db2.gz APMUIJRRUVRTGH-WGHGBGRWSA-N -1 1 361.385 2.962 20 30 FFEDMM C=C(C)[C@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)OCC ZINC001138097654 1033743055 /nfs/dbraw/zinc/74/30/55/1033743055.db2.gz AYWNIBZHUOBCGU-ZFWWWQNUSA-N -1 1 367.812 2.569 20 30 FFEDMM C=C[C@H](Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-])C(=O)OC ZINC001227700854 1035683882 /nfs/dbraw/zinc/68/38/82/1035683882.db2.gz CDHBMRONQGXEKP-INIZCTEOSA-N -1 1 371.345 2.946 20 30 FFEDMM C=C[C@@H](Oc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1O)C(=O)OC ZINC001229212242 1036556111 /nfs/dbraw/zinc/55/61/11/1036556111.db2.gz ZLEHEGDDXQYFNW-FNMPFJKNSA-N -1 1 368.341 2.820 20 30 FFEDMM NN1CCC(Oc2cc([O-])ccc2C(=O)/C=C/c2ccc(O)cc2)CC1 ZINC001229271423 1036592014 /nfs/dbraw/zinc/59/20/14/1036592014.db2.gz ZGCBMRRUNRRGCS-FPYGCLRLSA-N -1 1 354.406 2.711 20 30 FFEDMM C=C(C)COCCNC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836738451 1036791722 /nfs/dbraw/zinc/79/17/22/1036791722.db2.gz KPMABTPBDCSFAS-UHFFFAOYSA-N -1 1 373.375 2.888 20 30 FFEDMM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234044474 1036891043 /nfs/dbraw/zinc/89/10/43/1036891043.db2.gz KYZCALBMQJGTLC-AWEZNQCLSA-N -1 1 374.469 2.541 20 30 FFEDMM C#C[C@H](C)Oc1c(-c2ccc(O)c(O)c2)oc2cc(OC)cc([O-])c2c1=O ZINC001229793608 1036902511 /nfs/dbraw/zinc/90/25/11/1036902511.db2.gz CODWBYMOWRWDRP-JTQLQIEISA-N -1 1 368.341 2.986 20 30 FFEDMM COc1c(/C=C/C(=O)c2ccc([O-])cc2)ccc(O)c1O[C@@H]1COC(=O)C1 ZINC001230153489 1037123725 /nfs/dbraw/zinc/12/37/25/1037123725.db2.gz GZFLWJVOPQJKGI-LWUPOJRFSA-N -1 1 370.357 2.697 20 30 FFEDMM C=CCOC[C@H]1c2nnn(C)c2CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237125440 1038450899 /nfs/dbraw/zinc/45/08/99/1038450899.db2.gz ZVJMDYBMMWHVIV-AWEZNQCLSA-N -1 1 366.824 2.615 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)cc1OC ZINC001257102930 1038713380 /nfs/dbraw/zinc/71/33/80/1038713380.db2.gz AUTSMHUDCSHXQJ-UHFFFAOYSA-N -1 1 350.371 2.824 20 30 FFEDMM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)cc2)n1 ZINC001258045847 1039141793 /nfs/dbraw/zinc/14/17/93/1039141793.db2.gz YFGWFDRJUXREHX-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM COC(=O)c1cnc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2c1 ZINC001258132462 1039208306 /nfs/dbraw/zinc/20/83/06/1039208306.db2.gz LISQEFXSXXNTAG-UHFFFAOYSA-N -1 1 367.386 2.694 20 30 FFEDMM C=CCCSCCNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001252771352 1039697940 /nfs/dbraw/zinc/69/79/40/1039697940.db2.gz DPMLCWCPVDRGAY-RYUDHWBXSA-N -1 1 367.437 2.537 20 30 FFEDMM Cc1ccc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)COC2)cc1 ZINC001259114825 1039723203 /nfs/dbraw/zinc/72/32/03/1039723203.db2.gz DEPLRXDVGRIOAE-UHFFFAOYSA-N -1 1 362.838 2.724 20 30 FFEDMM CCOC(=O)CCc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259125790 1039733200 /nfs/dbraw/zinc/73/32/00/1039733200.db2.gz SARHOESFIBHGHG-UHFFFAOYSA-N -1 1 358.419 2.855 20 30 FFEDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C)c2)cc1 ZINC001259325044 1039913790 /nfs/dbraw/zinc/91/37/90/1039913790.db2.gz HWFSTPLXPUVQQS-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1C#N ZINC001259396670 1039971680 /nfs/dbraw/zinc/97/16/80/1039971680.db2.gz QZFRHFKWXIPCKI-UHFFFAOYSA-N -1 1 372.431 2.927 20 30 FFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC001259407356 1039978720 /nfs/dbraw/zinc/97/87/20/1039978720.db2.gz STYIMLOZHCAOBV-UHFFFAOYSA-N -1 1 374.418 2.933 20 30 FFEDMM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412325 1039983370 /nfs/dbraw/zinc/98/33/70/1039983370.db2.gz BTYRXHUVPLNZFA-UHFFFAOYSA-N -1 1 353.762 2.749 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)ccc1F ZINC001259418271 1039988227 /nfs/dbraw/zinc/98/82/27/1039988227.db2.gz SVJCFMNYLWSWJU-UHFFFAOYSA-N -1 1 359.382 2.625 20 30 FFEDMM C[Si](C)(C)C#Cc1ncccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183352 1040442859 /nfs/dbraw/zinc/44/28/59/1040442859.db2.gz MLFNAYXDHXWUFG-UHFFFAOYSA-N -1 1 374.494 2.810 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OCC ZINC001213382452 1040497286 /nfs/dbraw/zinc/49/72/86/1040497286.db2.gz DROTVWOSGUHSPN-ZDUSSCGKSA-N -1 1 366.266 2.834 20 30 FFEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)c1 ZINC001260811089 1040817288 /nfs/dbraw/zinc/81/72/88/1040817288.db2.gz DGYLTMRAXRFRDR-UHFFFAOYSA-N -1 1 351.334 2.596 20 30 FFEDMM N#Cc1nc(N)c([N-]c2c(Cl)ccc([N+](=O)[O-])c2Cl)nc1C#N ZINC001215582609 1041831904 /nfs/dbraw/zinc/83/19/04/1041831904.db2.gz VVGVGYBBLVXABL-UHFFFAOYSA-N -1 1 350.125 2.761 20 30 FFEDMM CC[C@@]([N-]S(=O)(=O)c1ccc(C)cc1C#N)(C(=O)OC)c1ccccc1 ZINC001309487050 1043407626 /nfs/dbraw/zinc/40/76/26/1043407626.db2.gz BWIFNNUDIWLPHA-IBGZPJMESA-N -1 1 372.446 2.624 20 30 FFEDMM N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@H]1F ZINC001309846878 1043553637 /nfs/dbraw/zinc/55/36/37/1043553637.db2.gz NDYBLKJPUKFTEI-NVXWUHKLSA-N -1 1 364.373 2.589 20 30 FFEDMM CS(=O)(=O)c1ccc(Oc2cncc(-c3ccc([O-])c(C#N)c3)n2)cc1 ZINC001242563178 1044752702 /nfs/dbraw/zinc/75/27/02/1044752702.db2.gz BNSOONURCNRYJX-UHFFFAOYSA-N -1 1 367.386 2.917 20 30 FFEDMM C=CC1(CC(=O)N2C[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)CCCCC1 ZINC001281752506 1045068530 /nfs/dbraw/zinc/06/85/30/1045068530.db2.gz ICIFYLJZLYZUDG-HZPDHXFCSA-N -1 1 371.481 2.891 20 30 FFEDMM O=S1(=O)[N-]C(=NNc2ccc(Br)cc2)c2ccccc21 ZINC001319592391 1045206534 /nfs/dbraw/zinc/20/65/34/1045206534.db2.gz UYQHPUHLUQIBMI-UHFFFAOYSA-N -1 1 352.213 2.515 20 30 FFEDMM C=C[C@@H](COC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC001320317704 1045388575 /nfs/dbraw/zinc/38/85/75/1045388575.db2.gz RULUKLZGGIBERH-INIZCTEOSA-N -1 1 374.462 2.727 20 30 FFEDMM N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([O-])c(Cl)c3)CC2=O)cc1 ZINC001323605470 1045657049 /nfs/dbraw/zinc/65/70/49/1045657049.db2.gz LPCQYSTZOGTOQD-LBPRGKRZSA-N -1 1 355.781 2.909 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)OCC ZINC001321798138 1045806928 /nfs/dbraw/zinc/80/69/28/1045806928.db2.gz VPFMKMWOPDJFNQ-SECBINFHSA-N -1 1 370.229 2.919 20 30 FFEDMM Cc1c(C#N)cccc1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001325218617 1046421192 /nfs/dbraw/zinc/42/11/92/1046421192.db2.gz SPTPURSJCJGYCQ-HNNXBMFYSA-N -1 1 370.775 2.692 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)C(=O)OCC ZINC001328692966 1048422564 /nfs/dbraw/zinc/42/25/64/1048422564.db2.gz IRNPZVRZFBYZON-SECBINFHSA-N -1 1 372.295 2.982 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCOC2(C1)CCCCCC2 ZINC001342121744 1050715571 /nfs/dbraw/zinc/71/55/71/1050715571.db2.gz MUEWYMMQDOIXOI-UHFFFAOYSA-N -1 1 372.473 2.880 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001340732156 1051091297 /nfs/dbraw/zinc/09/12/97/1051091297.db2.gz CDHZHJYVPVUQOU-ZDUSSCGKSA-N -1 1 371.832 2.950 20 30 FFEDMM CCn1c(-c2nc(Cl)n[n-]2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001340800111 1051144910 /nfs/dbraw/zinc/14/49/10/1051144910.db2.gz NKKWPRDNGPPQQR-UHFFFAOYSA-N -1 1 368.832 2.777 20 30 FFEDMM CCn1c(-c2nc(Cl)n[n-]2)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001340799306 1051145493 /nfs/dbraw/zinc/14/54/93/1051145493.db2.gz GIGUJJQZVWPMOU-SNVBAGLBSA-N -1 1 356.821 2.806 20 30 FFEDMM CCC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC001309260683 1052586243 /nfs/dbraw/zinc/58/62/43/1052586243.db2.gz ZUZVJQMSHSWCCW-UHFFFAOYSA-N -1 1 361.236 2.928 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1c1ccccc1Cl ZINC001339570979 1056595729 /nfs/dbraw/zinc/59/57/29/1056595729.db2.gz SRPAUMKXDWZPOB-CQSZACIVSA-N -1 1 370.848 2.563 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1c1ccccc1Cl ZINC001339570979 1056595741 /nfs/dbraw/zinc/59/57/41/1056595741.db2.gz SRPAUMKXDWZPOB-CQSZACIVSA-N -1 1 370.848 2.563 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@H]1CSC ZINC001515030675 1059240726 /nfs/dbraw/zinc/24/07/26/1059240726.db2.gz AFABJOWRTRZDTN-JTQLQIEISA-N -1 1 353.883 2.625 20 30 FFEDMM C=C(C)Cn1c([C@@H]2C[C@H]2C)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001515467448 1059672326 /nfs/dbraw/zinc/67/23/26/1059672326.db2.gz MRVNKSRHZPFCID-MGPQQGTHSA-N -1 1 370.457 2.823 20 30 FFEDMM CCc1nc(SCc2nc3ccccc3c(=O)n2CC#N)[n-]c(=O)c1C ZINC000849920649 1060904172 /nfs/dbraw/zinc/90/41/72/1060904172.db2.gz DSMYCYKPDIZHQQ-UHFFFAOYSA-N -1 1 367.434 2.579 20 30 FFEDMM CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001468003633 1063904363 /nfs/dbraw/zinc/90/43/63/1063904363.db2.gz NSYAPPAYTIRUAJ-UHFFFAOYSA-N -1 1 365.357 2.720 20 30 FFEDMM C[C@@H]1C[C@@H]1[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001576093360 1078195026 /nfs/dbraw/zinc/19/50/26/1078195026.db2.gz BXXVPVCYQWIXRC-MURWCNHISA-N -1 1 366.816 2.991 20 30 FFEDMM C=C(C)C[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001558111204 1075944195 /nfs/dbraw/zinc/94/41/95/1075944195.db2.gz WJVNSNXLRSWINR-QGZVFWFLSA-N -1 1 374.462 2.544 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OCC ZINC001561828632 1076429646 /nfs/dbraw/zinc/42/96/46/1076429646.db2.gz ULPDZZYPUHCQQY-GFCCVEGCSA-N -1 1 367.801 2.626 20 30 FFEDMM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1c(C)cccc1C#N)c1ccccc1 ZINC001561938356 1076449638 /nfs/dbraw/zinc/44/96/38/1076449638.db2.gz PJWQUHCGZIMTKD-LJQANCHMSA-N -1 1 372.446 2.624 20 30 FFEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001565063771 1076681589 /nfs/dbraw/zinc/68/15/89/1076681589.db2.gz SOKCRDTVQYIVKI-XJKCOSOUSA-N -1 1 361.408 2.974 20 30 FFEDMM C=CCN(CCC#N)C(=O)c1ccc(I)cc1[O-] ZINC001569599722 1077154813 /nfs/dbraw/zinc/15/48/13/1077154813.db2.gz JBCFWWSAZZXVFH-UHFFFAOYSA-N -1 1 356.163 2.539 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccc(CN(C)C)c(F)c2)cc1C#N ZINC001587086743 1079733476 /nfs/dbraw/zinc/73/34/76/1079733476.db2.gz YUGOMGKBCMKKMJ-UHFFFAOYSA-N -1 1 360.414 2.834 20 30 FFEDMM C#C[C@@H](Nc1cc(-c2nnn[n-]2)nc(CC)n1)c1ccc(Cl)cc1F ZINC001588328631 1079986050 /nfs/dbraw/zinc/98/60/50/1079986050.db2.gz MJNXXCWWWOEYRU-GFCCVEGCSA-N -1 1 357.780 2.798 20 30 FFEDMM C#C[C@@H](Nc1cc(-c2nn[n-]n2)nc(CC)n1)c1ccc(Cl)cc1F ZINC001588328631 1079986062 /nfs/dbraw/zinc/98/60/62/1079986062.db2.gz MJNXXCWWWOEYRU-GFCCVEGCSA-N -1 1 357.780 2.798 20 30 FFEDMM C#CCOc1ccccc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001588362960 1079994264 /nfs/dbraw/zinc/99/42/64/1079994264.db2.gz BFCQRSJWPUYEFM-UHFFFAOYSA-N -1 1 365.397 2.610 20 30 FFEDMM C=C(C)[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001588400531 1080010285 /nfs/dbraw/zinc/01/02/85/1080010285.db2.gz ALIKLZLYUIXATQ-HNNXBMFYSA-N -1 1 371.351 2.979 20 30 FFEDMM C=C(C)[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001588400531 1080010295 /nfs/dbraw/zinc/01/02/95/1080010295.db2.gz ALIKLZLYUIXATQ-HNNXBMFYSA-N -1 1 371.351 2.979 20 30 FFEDMM C=C(C)CCC(=O)N[C@@H](C)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588415565 1080019244 /nfs/dbraw/zinc/01/92/44/1080019244.db2.gz NTQRZKKAAPMLCJ-IUCAKERBSA-N -1 1 369.882 2.638 20 30 FFEDMM C=C[C@@H](CC)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001588525482 1080077599 /nfs/dbraw/zinc/07/75/99/1080077599.db2.gz HZQRHDBYARWVFX-NSHDSACASA-N -1 1 355.377 2.732 20 30 FFEDMM C=CCCC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588571263 1080102786 /nfs/dbraw/zinc/10/27/86/1080102786.db2.gz IITYZVVFQYXXEH-DTWKUNHWSA-N -1 1 369.882 2.638 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(N(C)C)cc2)o1 ZINC001588782072 1080193281 /nfs/dbraw/zinc/19/32/81/1080193281.db2.gz PAHXRGQDKYRSNB-UHFFFAOYSA-N -1 1 368.445 2.955 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588934846 1080270828 /nfs/dbraw/zinc/27/08/28/1080270828.db2.gz XMYCUCARYCMSNG-LLVKDONJSA-N -1 1 365.422 2.766 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588934846 1080270840 /nfs/dbraw/zinc/27/08/40/1080270840.db2.gz XMYCUCARYCMSNG-LLVKDONJSA-N -1 1 365.422 2.766 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588934847 1080271664 /nfs/dbraw/zinc/27/16/64/1080271664.db2.gz XMYCUCARYCMSNG-NSHDSACASA-N -1 1 365.422 2.766 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588934847 1080271669 /nfs/dbraw/zinc/27/16/69/1080271669.db2.gz XMYCUCARYCMSNG-NSHDSACASA-N -1 1 365.422 2.766 20 30 FFEDMM CC(C)OCCON=c1[nH]c2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589748876 1080699841 /nfs/dbraw/zinc/69/98/41/1080699841.db2.gz LPOLLFWUBBLCPD-UHFFFAOYSA-N -1 1 371.445 2.561 20 30 FFEDMM CC1(C)CCCC[C@@H]1NN=C1CCCc2c1c[nH]c(=O)c2-c1nn[n-]n1 ZINC001590096319 1081007602 /nfs/dbraw/zinc/00/76/02/1081007602.db2.gz FBOJFOGJCHFDSZ-AWEZNQCLSA-N -1 1 355.446 2.566 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C(=O)OCC ZINC000451984251 514109657 /nfs/dbraw/zinc/10/96/57/514109657.db2.gz CWADSUSJGYLACY-STQMWFEESA-N -1 1 353.431 2.629 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1 ZINC000287978924 257135559 /nfs/dbraw/zinc/13/55/59/257135559.db2.gz YNDZAKVSSWGALS-DZGCQCFKSA-N -1 1 352.799 2.613 20 30 FFEDMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055584733 506788638 /nfs/dbraw/zinc/78/86/38/506788638.db2.gz JOLGZEUFHPNUGP-UHFFFAOYSA-N -1 1 363.826 2.681 20 30 FFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000055639982 506809619 /nfs/dbraw/zinc/80/96/19/506809619.db2.gz GYSPXLDZTNPHLG-UHFFFAOYSA-N -1 1 374.418 2.957 20 30 FFEDMM CCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000068241668 507159126 /nfs/dbraw/zinc/15/91/26/507159126.db2.gz NPNNGJVRMGRSRF-UHFFFAOYSA-N -1 1 357.435 2.782 20 30 FFEDMM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000078464662 507873538 /nfs/dbraw/zinc/87/35/38/507873538.db2.gz HVUCLPIPRYKMCO-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM C[C@@H](C#N)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000081791329 508211575 /nfs/dbraw/zinc/21/15/75/508211575.db2.gz ZXDRPACQCZASFM-JTQLQIEISA-N -1 1 359.332 2.812 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1 ZINC000114673247 508335769 /nfs/dbraw/zinc/33/57/69/508335769.db2.gz JYFCCYVMLDSGHB-UHFFFAOYSA-N -1 1 355.419 2.794 20 30 FFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)o1 ZINC000124633033 508861344 /nfs/dbraw/zinc/86/13/44/508861344.db2.gz CIYRIEDAUQTBBK-CQSZACIVSA-N -1 1 362.407 2.780 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3(C#N)CC3)c2)c1 ZINC000160773968 509031241 /nfs/dbraw/zinc/03/12/41/509031241.db2.gz UROXJXHUSJHQLR-UHFFFAOYSA-N -1 1 369.446 2.890 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1noc(-c2ccccc2)n1 ZINC000126587060 509099332 /nfs/dbraw/zinc/09/93/32/509099332.db2.gz KEGRGRPVBNGKLF-LLVKDONJSA-N -1 1 372.381 2.787 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cn1 ZINC000191879190 509226391 /nfs/dbraw/zinc/22/63/91/509226391.db2.gz KEUZNAJJRDATBK-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCSCc1ccccc1C#N ZINC000266978240 509288413 /nfs/dbraw/zinc/28/84/13/509288413.db2.gz XTCZKDYUPGUFQU-UHFFFAOYSA-N -1 1 374.491 2.747 20 30 FFEDMM CN1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000249110085 509607525 /nfs/dbraw/zinc/60/75/25/509607525.db2.gz RDLDRQREUHLIRB-FUHWJXTLSA-N -1 1 357.360 2.717 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(C(=O)N2CCCC2)n1 ZINC000173902300 509843322 /nfs/dbraw/zinc/84/33/22/509843322.db2.gz SJBBIMCSLRKXBQ-AWEZNQCLSA-N -1 1 373.416 2.694 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000265384385 510024894 /nfs/dbraw/zinc/02/48/94/510024894.db2.gz RCXZLOVABZVSOR-RNODOKPDSA-N -1 1 365.437 2.684 20 30 FFEDMM CC1CCN(c2ccc(CNC(=O)c3ccc(C#N)c([O-])c3)cn2)CC1 ZINC000190675226 510277782 /nfs/dbraw/zinc/27/77/82/510277782.db2.gz AGFOXEHCJJXBQS-UHFFFAOYSA-N -1 1 350.422 2.825 20 30 FFEDMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000174741767 510285420 /nfs/dbraw/zinc/28/54/20/510285420.db2.gz RRGKCXAKTDTJFW-OAQYLSRUSA-N -1 1 354.840 2.750 20 30 FFEDMM N#CC(=C([O-])c1ccnc(O[C@H]2CCOC2)c1)c1cnc2ccccc2n1 ZINC000190883500 510392668 /nfs/dbraw/zinc/39/26/68/510392668.db2.gz YOPVHUMLZYZNSO-LSDHHAIUSA-N -1 1 360.373 2.683 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)CC#N)cc1 ZINC000194714713 510492823 /nfs/dbraw/zinc/49/28/23/510492823.db2.gz BAKMHRNTOUOBDJ-CQSZACIVSA-N -1 1 357.435 2.828 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1n[nH]c(-c2ccc(C)o2)c1C ZINC000184869729 510555387 /nfs/dbraw/zinc/55/53/87/510555387.db2.gz WEOWEFUGZUVPLC-UHFFFAOYSA-N -1 1 372.406 2.968 20 30 FFEDMM COCCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000182016885 510712826 /nfs/dbraw/zinc/71/28/26/510712826.db2.gz YFDFYFWNMSHIFC-UHFFFAOYSA-N -1 1 371.462 2.711 20 30 FFEDMM C[C@H]1CCN(C(=O)c2cccc(CC#N)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000288292655 511069838 /nfs/dbraw/zinc/06/98/38/511069838.db2.gz STOFEVQCZVOKOH-HUBLWGQQSA-N -1 1 367.371 2.670 20 30 FFEDMM C=CCCC[C@H](C)NC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000365772439 511646133 /nfs/dbraw/zinc/64/61/33/511646133.db2.gz ADBXYGHFZFAGDH-ZDUSSCGKSA-N -1 1 363.462 2.615 20 30 FFEDMM Cc1ncc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C#N ZINC000327667062 511878998 /nfs/dbraw/zinc/87/89/98/511878998.db2.gz ARFZMBYGNQNEIG-NSHDSACASA-N -1 1 359.407 2.641 20 30 FFEDMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cc1OC ZINC000328250011 511887483 /nfs/dbraw/zinc/88/74/83/511887483.db2.gz BKFBLEIXQKKQIJ-UHFFFAOYSA-N -1 1 360.391 2.628 20 30 FFEDMM C=C(CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000366214213 511905619 /nfs/dbraw/zinc/90/56/19/511905619.db2.gz YPCOCMWHZAAZIN-UHFFFAOYSA-N -1 1 360.417 2.925 20 30 FFEDMM Cn1[n-]c(CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)nc1=O ZINC000329564598 512069744 /nfs/dbraw/zinc/06/97/44/512069744.db2.gz HAMFCAGCHHRGOD-LBPRGKRZSA-N -1 1 370.240 2.668 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)o1 ZINC000376346814 512777715 /nfs/dbraw/zinc/77/77/15/512777715.db2.gz BRPCOPNEEZNJGT-QGZVFWFLSA-N -1 1 357.366 2.753 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000439623563 513152832 /nfs/dbraw/zinc/15/28/32/513152832.db2.gz SELCCCYEGQVVMD-UHFFFAOYSA-N -1 1 373.434 2.886 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C#N)c3)cc2C[C@H]1C ZINC000451114476 513533806 /nfs/dbraw/zinc/53/38/06/513533806.db2.gz MIAMEDYEVMBUOT-CYBMUJFWSA-N -1 1 369.446 2.965 20 30 FFEDMM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435503456 513605916 /nfs/dbraw/zinc/60/59/16/513605916.db2.gz VUBQLPLHXXXLPB-UHFFFAOYSA-N -1 1 369.855 2.776 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)ccc1C#N ZINC000435753658 513677272 /nfs/dbraw/zinc/67/72/72/513677272.db2.gz ARZZVCLZNUTRCK-UHFFFAOYSA-N -1 1 359.432 2.712 20 30 FFEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(OCC(N)=O)c2)s1 ZINC000430581715 513695388 /nfs/dbraw/zinc/69/53/88/513695388.db2.gz HTUJGFGGXVERPK-CYBMUJFWSA-N -1 1 357.435 2.795 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)cc1[O-] ZINC000443059355 513856739 /nfs/dbraw/zinc/85/67/39/513856739.db2.gz MOABTQYJDFTRBX-UHFFFAOYSA-N -1 1 362.288 2.524 20 30 FFEDMM CCN(CCC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000426534160 513972246 /nfs/dbraw/zinc/97/22/46/513972246.db2.gz UNCSEKCACQPLOD-UHFFFAOYSA-N -1 1 357.435 2.863 20 30 FFEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000452021287 514140865 /nfs/dbraw/zinc/14/08/65/514140865.db2.gz IOROVFFTJYWITI-ZETCQYMHSA-N -1 1 374.709 2.769 20 30 FFEDMM C=CCCCS(=O)(=O)[N-]c1[nH]nc(Nc2ccc(OC)cc2)c1C#N ZINC000427751182 514301663 /nfs/dbraw/zinc/30/16/63/514301663.db2.gz AXCIZLSDNGYLJH-UHFFFAOYSA-N -1 1 361.427 2.741 20 30 FFEDMM C=C(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000428106388 514399146 /nfs/dbraw/zinc/39/91/46/514399146.db2.gz ITMDVPOSODBHED-UHFFFAOYSA-N -1 1 374.418 2.522 20 30 FFEDMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)no1 ZINC000438899437 514463689 /nfs/dbraw/zinc/46/36/89/514463689.db2.gz UXTSBTMNBJEQRI-UHFFFAOYSA-N -1 1 372.381 2.534 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(Cc2cccc(F)c2)n[nH]1 ZINC000508067739 514652150 /nfs/dbraw/zinc/65/21/50/514652150.db2.gz KHCZTYVSJXRJJK-UHFFFAOYSA-N -1 1 371.397 2.516 20 30 FFEDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n[nH]1 ZINC000484640473 514726217 /nfs/dbraw/zinc/72/62/17/514726217.db2.gz OWIQUFKSHXOKHO-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CC#N)cc2)cc1 ZINC000484824555 514807132 /nfs/dbraw/zinc/80/71/32/514807132.db2.gz MDNKCKRAQVDFKS-CYBMUJFWSA-N -1 1 373.434 2.528 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1NC(C)=O ZINC000475803976 514817750 /nfs/dbraw/zinc/81/77/50/514817750.db2.gz BLFQHXWFIXMXIT-UHFFFAOYSA-N -1 1 359.407 2.520 20 30 FFEDMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000467141587 514914536 /nfs/dbraw/zinc/91/45/36/514914536.db2.gz YIORNPBXXLTWGO-JTQLQIEISA-N -1 1 352.362 2.885 20 30 FFEDMM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1csc(=NC2CC2)[n-]1 ZINC000476462064 515058544 /nfs/dbraw/zinc/05/85/44/515058544.db2.gz RRYATIUNWRWDNH-UHFFFAOYSA-N -1 1 365.380 2.940 20 30 FFEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505143237 515456968 /nfs/dbraw/zinc/45/69/68/515456968.db2.gz PVXVORHVCAGFBX-CQSZACIVSA-N -1 1 357.435 2.862 20 30 FFEDMM C=C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000465466788 516160409 /nfs/dbraw/zinc/16/04/09/516160409.db2.gz ORFGLZRZAFZCTJ-GFCCVEGCSA-N -1 1 374.418 2.520 20 30 FFEDMM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C2CC2)n1 ZINC000525699347 517123667 /nfs/dbraw/zinc/12/36/67/517123667.db2.gz GEIIGQQSTFVZPK-CQSZACIVSA-N -1 1 351.428 2.892 20 30 FFEDMM N#CCN1CCC[C@H](CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000548943933 517318637 /nfs/dbraw/zinc/31/86/37/517318637.db2.gz CJPDCLCTLJWUQB-GFCCVEGCSA-N -1 1 358.829 2.559 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)ccc1C#N ZINC000559595525 517332890 /nfs/dbraw/zinc/33/28/90/517332890.db2.gz BCDSJVMHSMMOIU-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM C[C@H](C#N)CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000538089258 517462402 /nfs/dbraw/zinc/46/24/02/517462402.db2.gz GTWXVLLCISIBRP-CYBMUJFWSA-N -1 1 374.422 2.991 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2ccn(C)c(=O)c2c1 ZINC000560009094 517529892 /nfs/dbraw/zinc/52/98/92/517529892.db2.gz FBQNXMKKOQIONM-UHFFFAOYSA-N -1 1 353.403 2.519 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCC[C@H]2CCC(=O)[O-])c(F)c1 ZINC000556702951 517584062 /nfs/dbraw/zinc/58/40/62/517584062.db2.gz GWZYJPVFPZOCBE-FZMZJTMJSA-N -1 1 372.393 2.538 20 30 FFEDMM COc1ccc(OC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000527483350 517701804 /nfs/dbraw/zinc/70/18/04/517701804.db2.gz OBNOWTGUYRDJQJ-UHFFFAOYSA-N -1 1 352.390 2.956 20 30 FFEDMM C[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553761847 517888794 /nfs/dbraw/zinc/88/87/94/517888794.db2.gz OBPSZGADTOANCW-SNVBAGLBSA-N -1 1 369.240 2.823 20 30 FFEDMM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000557206987 517918501 /nfs/dbraw/zinc/91/85/01/517918501.db2.gz YVMAFTYHBSOXCQ-LBPRGKRZSA-N -1 1 358.419 2.548 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCC#N)cc2)cc1 ZINC000543308241 518015634 /nfs/dbraw/zinc/01/56/34/518015634.db2.gz GOICFXLISWWUDU-UHFFFAOYSA-N -1 1 373.434 2.530 20 30 FFEDMM Cc1c2cc(C#N)ccc2sc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000575766763 518271886 /nfs/dbraw/zinc/27/18/86/518271886.db2.gz DIRDJCRHEKTEDK-UHFFFAOYSA-N -1 1 352.423 2.794 20 30 FFEDMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1F ZINC000567290293 518448995 /nfs/dbraw/zinc/44/89/95/518448995.db2.gz BADWWFJONXEWGW-UHFFFAOYSA-N -1 1 370.308 2.563 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000589175503 518939979 /nfs/dbraw/zinc/93/99/79/518939979.db2.gz MOCICNHUAHOYNA-UHFFFAOYSA-N -1 1 367.380 2.894 20 30 FFEDMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589182119 518941546 /nfs/dbraw/zinc/94/15/46/518941546.db2.gz PVNUBMPUBVYJGZ-CQSZACIVSA-N -1 1 352.390 2.715 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CC(OCCCOc3ccccc3)C2)c1 ZINC000589188456 518945735 /nfs/dbraw/zinc/94/57/35/518945735.db2.gz BHRMYAXXDPNACN-UHFFFAOYSA-N -1 1 352.390 2.574 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000589198226 518947518 /nfs/dbraw/zinc/94/75/18/518947518.db2.gz UONVZDBQVDSQDO-OAHLLOKOSA-N -1 1 350.296 2.746 20 30 FFEDMM CN1C(=O)C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000589196758 518947963 /nfs/dbraw/zinc/94/79/63/518947963.db2.gz GABYUOIUJICURG-SJLPKXTDSA-N -1 1 369.808 2.619 20 30 FFEDMM C=CCOCCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000568771611 519207689 /nfs/dbraw/zinc/20/76/89/519207689.db2.gz AAGQICFYMFSJJU-HNNXBMFYSA-N -1 1 354.244 2.853 20 30 FFEDMM N#CCc1ccc(CS(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)cc1 ZINC000583604550 519333527 /nfs/dbraw/zinc/33/35/27/519333527.db2.gz NDNSBVJCVKIXIG-UHFFFAOYSA-N -1 1 356.382 2.651 20 30 FFEDMM N#CCc1ccc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000583604550 519333536 /nfs/dbraw/zinc/33/35/36/519333536.db2.gz NDNSBVJCVKIXIG-UHFFFAOYSA-N -1 1 356.382 2.651 20 30 FFEDMM Cc1[n-][nH]c(=NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1Br ZINC000597731818 520203729 /nfs/dbraw/zinc/20/37/29/520203729.db2.gz PFBNLTFHQUMWOF-UHFFFAOYSA-N -1 1 365.206 2.830 20 30 FFEDMM COC(=O)c1cc(-c2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)c[nH]1 ZINC000614293977 520894083 /nfs/dbraw/zinc/89/40/83/520894083.db2.gz HBANSQJEVQXROT-UHFFFAOYSA-N -1 1 368.374 2.754 20 30 FFEDMM Cc1nc(COc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2)no1 ZINC000614367088 520927395 /nfs/dbraw/zinc/92/73/95/520927395.db2.gz PIWYBWAKSQOWFM-UHFFFAOYSA-N -1 1 350.334 2.787 20 30 FFEDMM CC[C@@H](C#N)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000593447982 520997597 /nfs/dbraw/zinc/99/75/97/520997597.db2.gz KKOULXQMLVOUQV-INIZCTEOSA-N -1 1 371.462 2.996 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc3n2[C@@H](C)CCC3)n1 ZINC000593456808 521006364 /nfs/dbraw/zinc/00/63/64/521006364.db2.gz JBQVXXMSWLATKB-QWRGUYRKSA-N -1 1 358.423 2.904 20 30 FFEDMM C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)n1 ZINC000593827291 521234137 /nfs/dbraw/zinc/23/41/37/521234137.db2.gz CLJSQUMKYXRWSC-PXAZEXFGSA-N -1 1 366.421 2.865 20 30 FFEDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461820 521579480 /nfs/dbraw/zinc/57/94/80/521579480.db2.gz NUFMQLDPUUMDRZ-UHFFFAOYSA-N -1 1 357.435 2.564 20 30 FFEDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(CC#N)c3)c2)n[nH]1 ZINC000619463173 521580466 /nfs/dbraw/zinc/58/04/66/521580466.db2.gz NRSWVECZKCPJIU-UHFFFAOYSA-N -1 1 367.434 2.955 20 30 FFEDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462988 521580637 /nfs/dbraw/zinc/58/06/37/521580637.db2.gz MFEIWEFNMXHGLI-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C)c1 ZINC000619461920 521580703 /nfs/dbraw/zinc/58/07/03/521580703.db2.gz DIIHPBDDUGFQBN-UHFFFAOYSA-N -1 1 357.435 2.612 20 30 FFEDMM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000619732728 521842520 /nfs/dbraw/zinc/84/25/20/521842520.db2.gz PEEUWKOYBPGXLV-AWEZNQCLSA-N -1 1 351.406 2.555 20 30 FFEDMM C=CCN(CC(F)(F)F)C(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000624860940 522975092 /nfs/dbraw/zinc/97/50/92/522975092.db2.gz PJTYMUUJEHIXIX-UHFFFAOYSA-N -1 1 370.327 2.736 20 30 FFEDMM C=CCOc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735437195 598968297 /nfs/dbraw/zinc/96/82/97/598968297.db2.gz ZUAXWRPVGSOESD-UHFFFAOYSA-N -1 1 359.393 2.987 20 30 FFEDMM C=CCOc1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735437195 598968299 /nfs/dbraw/zinc/96/82/99/598968299.db2.gz ZUAXWRPVGSOESD-UHFFFAOYSA-N -1 1 359.393 2.987 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735504312 599003917 /nfs/dbraw/zinc/00/39/17/599003917.db2.gz MVKNOKRFPHQNLU-LLVKDONJSA-N -1 1 365.422 2.766 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735504312 599003920 /nfs/dbraw/zinc/00/39/20/599003920.db2.gz MVKNOKRFPHQNLU-LLVKDONJSA-N -1 1 365.422 2.766 20 30 FFEDMM N#Cc1cccc(COc2cccc(Nc3nccnc3-c3nnn[n-]3)c2)c1 ZINC000737730487 598345034 /nfs/dbraw/zinc/34/50/34/598345034.db2.gz LRRAOAZFYAEHPV-UHFFFAOYSA-N -1 1 370.376 2.851 20 30 FFEDMM N#Cc1cccc(COc2cccc(Nc3nccnc3-c3nn[n-]n3)c2)c1 ZINC000737730487 598345035 /nfs/dbraw/zinc/34/50/35/598345035.db2.gz LRRAOAZFYAEHPV-UHFFFAOYSA-N -1 1 370.376 2.851 20 30 FFEDMM C[C@H](CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000736571639 600372639 /nfs/dbraw/zinc/37/26/39/600372639.db2.gz MDEUYCSCQSFRIK-NEPJUHHUSA-N -1 1 363.483 2.868 20 30 FFEDMM C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(C#N)c1 ZINC000827727038 600693326 /nfs/dbraw/zinc/69/33/26/600693326.db2.gz FJGUPEFOWKFJCT-ABAIWWIYSA-N -1 1 355.419 2.774 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000825967628 601525399 /nfs/dbraw/zinc/52/53/99/601525399.db2.gz XORZKMHBJAEQTD-HZSPNIEDSA-N -1 1 361.467 2.529 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)ccc1Cl ZINC000832888120 601534964 /nfs/dbraw/zinc/53/49/64/601534964.db2.gz DRRZGJCZBGFKAN-HIFRSBDPSA-N -1 1 363.845 2.548 20 30 FFEDMM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2OCC#N)ccc1C(=O)[O-] ZINC000795336913 602119047 /nfs/dbraw/zinc/11/90/47/602119047.db2.gz XHLNIVPJROVCLR-UHFFFAOYSA-N -1 1 364.354 2.536 20 30 FFEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(O[C@@H]2CCOC2)c1 ZINC000832934080 602150096 /nfs/dbraw/zinc/15/00/96/602150096.db2.gz OLWGBHGFLVCBSO-QUCCMNQESA-N -1 1 366.417 2.950 20 30 FFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000831065886 604220221 /nfs/dbraw/zinc/22/02/21/604220221.db2.gz SQSWFKLLOZPBBH-LBPRGKRZSA-N -1 1 361.741 2.662 20 30 FFEDMM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821334933 606390234 /nfs/dbraw/zinc/39/02/34/606390234.db2.gz UHCKCZXQOJXGCI-CLFYSBASSA-N -1 1 368.418 2.930 20 30 FFEDMM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819845575 606555896 /nfs/dbraw/zinc/55/58/96/606555896.db2.gz WPNQBSZYHQRHMX-KRWDZBQOSA-N -1 1 352.423 2.573 20 30 FFEDMM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819845575 606555898 /nfs/dbraw/zinc/55/58/98/606555898.db2.gz WPNQBSZYHQRHMX-KRWDZBQOSA-N -1 1 352.423 2.573 20 30 FFEDMM Cc1sc([N-]C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c(C#N)c1C ZINC000822563107 606664792 /nfs/dbraw/zinc/66/47/92/606664792.db2.gz DZACQBNEGUTGLS-UHFFFAOYSA-N -1 1 360.349 2.947 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1cccc(C(=O)[O-])c1 ZINC000819783557 606988416 /nfs/dbraw/zinc/98/84/16/606988416.db2.gz ZLOKQTRFSITUEA-UHFFFAOYSA-N -1 1 369.385 2.687 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(F)ccc2Br)o1 ZINC000826322954 608054384 /nfs/dbraw/zinc/05/43/84/608054384.db2.gz IVPBHKCNKISAJS-UHFFFAOYSA-N -1 1 366.154 2.511 20 30 FFEDMM COc1cccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826216685 608091880 /nfs/dbraw/zinc/09/18/80/608091880.db2.gz JTURZUXDKNXISY-UHFFFAOYSA-N -1 1 373.467 2.647 20 30 FFEDMM COCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826163083 608091991 /nfs/dbraw/zinc/09/19/91/608091991.db2.gz FSGZQHKQFVLZCW-WAYWQWQTSA-N -1 1 356.407 2.850 20 30 FFEDMM COCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826163083 608091992 /nfs/dbraw/zinc/09/19/92/608091992.db2.gz FSGZQHKQFVLZCW-WAYWQWQTSA-N -1 1 356.407 2.850 20 30 FFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1OC ZINC000826191172 608092575 /nfs/dbraw/zinc/09/25/75/608092575.db2.gz YXZIPOGNFVWCRB-XQRVVYSFSA-N -1 1 372.406 2.850 20 30 FFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1OC ZINC000826191172 608092576 /nfs/dbraw/zinc/09/25/76/608092576.db2.gz YXZIPOGNFVWCRB-XQRVVYSFSA-N -1 1 372.406 2.850 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000826179089 608093612 /nfs/dbraw/zinc/09/36/12/608093612.db2.gz YXKGUYXOPUIXAZ-PLNGDYQASA-N -1 1 372.406 2.850 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000826179089 608093613 /nfs/dbraw/zinc/09/36/13/608093613.db2.gz YXKGUYXOPUIXAZ-PLNGDYQASA-N -1 1 372.406 2.850 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ncccc2C(F)(F)F)o1 ZINC000824352395 608228265 /nfs/dbraw/zinc/22/82/65/608228265.db2.gz CAULSYZCHCULBJ-UHFFFAOYSA-N -1 1 366.307 2.838 20 30 FFEDMM C#Cc1cccc(N(C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)c1 ZINC000823861311 608310973 /nfs/dbraw/zinc/31/09/73/608310973.db2.gz DHPRHDYEKOHZNQ-UHFFFAOYSA-N -1 1 369.432 2.979 20 30 FFEDMM N#Cc1ccc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826384949 608488599 /nfs/dbraw/zinc/48/85/99/608488599.db2.gz QZJGEKXRIXQLDX-UHFFFAOYSA-N -1 1 362.418 2.729 20 30 FFEDMM N#Cc1ccc(C2=CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000826384949 608488600 /nfs/dbraw/zinc/48/86/00/608488600.db2.gz QZJGEKXRIXQLDX-UHFFFAOYSA-N -1 1 362.418 2.729 20 30 FFEDMM C#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000022762473 727840029 /nfs/dbraw/zinc/84/00/29/727840029.db2.gz ZLHYLRABMXKWIZ-UHFFFAOYSA-N -1 1 366.801 2.643 20 30 FFEDMM CCn1c(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(C)cs3)cc2[n-]c1=S ZINC000122325349 728646478 /nfs/dbraw/zinc/64/64/78/728646478.db2.gz WASKBYBTNZFXHF-GFCCVEGCSA-N -1 1 370.459 2.960 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc(F)c1F ZINC000176182919 729111648 /nfs/dbraw/zinc/11/16/48/729111648.db2.gz DCVRIOOKVJBVFQ-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000185310423 729346396 /nfs/dbraw/zinc/34/63/96/729346396.db2.gz JZOFCSHEGPAUBM-HNNXBMFYSA-N -1 1 356.447 2.856 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000185322911 729346661 /nfs/dbraw/zinc/34/66/61/729346661.db2.gz JEQRYHDGRIOLIB-ZDUSSCGKSA-N -1 1 360.410 2.686 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCC(F)(F)F)cc2)c(=O)o1 ZINC000255168743 729633590 /nfs/dbraw/zinc/63/35/90/729633590.db2.gz RPWCCNXWXGHEOS-QZDDGCDVSA-N -1 1 354.280 2.856 20 30 FFEDMM COc1sc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Br ZINC000255502879 729641692 /nfs/dbraw/zinc/64/16/92/729641692.db2.gz CMKXIDGPHQHWIQ-VSQXVHSFSA-N -1 1 371.208 2.747 20 30 FFEDMM C#CC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000859426973 730454471 /nfs/dbraw/zinc/45/44/71/730454471.db2.gz OCPFBEFMISLQHO-SECBINFHSA-N -1 1 356.658 2.963 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)c1 ZINC000647279160 730733204 /nfs/dbraw/zinc/73/32/04/730733204.db2.gz VDPKLTMRJVWVEX-UHFFFAOYSA-N -1 1 362.455 2.558 20 30 FFEDMM CC[C@H](O)CNN=C(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863111404 730750660 /nfs/dbraw/zinc/75/06/60/730750660.db2.gz AEHCPRSTBSSUAP-KRWDZBQOSA-N -1 1 361.467 2.572 20 30 FFEDMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000656758423 731642347 /nfs/dbraw/zinc/64/23/47/731642347.db2.gz YDHSVFGEYIREBK-SFYZADRCSA-N -1 1 373.240 2.786 20 30 FFEDMM CSCCNC(=S)NN=Cc1cc(C)cc(Br)c1[O-] ZINC000781597359 738639736 /nfs/dbraw/zinc/63/97/36/738639736.db2.gz RRYHJKDLZKSFHH-UHFFFAOYSA-N -1 1 362.318 2.624 20 30 FFEDMM Cc1cc(Br)c([O-])c(C=Nn2c(C)cc(C)c(C#N)c2=O)c1 ZINC000781588754 738638949 /nfs/dbraw/zinc/63/89/49/738638949.db2.gz XZDBDPJNJLFHLR-UHFFFAOYSA-N -1 1 360.211 2.996 20 30 FFEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882253346 733198056 /nfs/dbraw/zinc/19/80/56/733198056.db2.gz ZGZTVIAPSZTWCF-UHFFFAOYSA-N -1 1 355.769 2.972 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)c2)[n-]c1=O ZINC000889789252 734224157 /nfs/dbraw/zinc/22/41/57/734224157.db2.gz BJJQKJZUZISZSO-ZDUSSCGKSA-N -1 1 358.785 2.693 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NNc2ccc(Br)cn2)c1 ZINC000727263345 734474746 /nfs/dbraw/zinc/47/47/46/734474746.db2.gz YTKDFGQNEHVTMU-UHFFFAOYSA-N -1 1 350.172 2.782 20 30 FFEDMM C#CCOc1cccc(OC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000730500724 734638821 /nfs/dbraw/zinc/63/88/21/734638821.db2.gz SKLAUPSSXZKVND-UHFFFAOYSA-N -1 1 358.419 2.763 20 30 FFEDMM Cc1ccc(-c2ccc(C=NNc3nc4[nH][n-]cc-4c(=O)n3)s2)cc1 ZINC000731154550 734668587 /nfs/dbraw/zinc/66/85/87/734668587.db2.gz RHFLFVDUCUYJRS-UHFFFAOYSA-N -1 1 350.407 2.915 20 30 FFEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)ccc1C ZINC000736064023 734975426 /nfs/dbraw/zinc/97/54/26/734975426.db2.gz QOGVWNQTJBAWGE-UHFFFAOYSA-N -1 1 359.407 2.657 20 30 FFEDMM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Cl ZINC000903164634 736045401 /nfs/dbraw/zinc/04/54/01/736045401.db2.gz DKSBBWXDIPZXIV-UHFFFAOYSA-N -1 1 352.847 2.984 20 30 FFEDMM C#CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000753779594 736094145 /nfs/dbraw/zinc/09/41/45/736094145.db2.gz LSWIIUQLLQSLOM-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM COCC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000905519655 736350343 /nfs/dbraw/zinc/35/03/43/736350343.db2.gz WTIRTZONRIGIPH-ZDUSSCGKSA-N -1 1 361.186 2.976 20 30 FFEDMM CC(=NNS(=O)(=O)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000757465614 736406590 /nfs/dbraw/zinc/40/65/90/736406590.db2.gz STSDARGKNIMKAM-UHFFFAOYSA-N -1 1 354.378 2.557 20 30 FFEDMM O=C([O-])c1ccc2c(C=NNC(=S)Nc3ccccc3F)n[nH]c2c1 ZINC000765556866 737133105 /nfs/dbraw/zinc/13/31/05/737133105.db2.gz ZPKBRPUAFPCDFM-UHFFFAOYSA-N -1 1 357.370 2.721 20 30 FFEDMM N#Cc1sccc1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000913482253 737411322 /nfs/dbraw/zinc/41/13/22/737411322.db2.gz KADXFGRQGPYEFX-UHFFFAOYSA-N -1 1 361.854 2.937 20 30 FFEDMM CC(Cc1nc2ccccc2s1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769816311 737569986 /nfs/dbraw/zinc/56/99/86/737569986.db2.gz FHDPHQHLWKYQLT-UHFFFAOYSA-N -1 1 353.411 2.709 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000914599308 737585968 /nfs/dbraw/zinc/58/59/68/737585968.db2.gz CTANNZIGIJUAMC-UHFFFAOYSA-N -1 1 369.324 2.658 20 30 FFEDMM Cn1c(=O)c2ccccc2nc1NN=Cc1cccc(Br)c1[O-] ZINC000915953777 737666839 /nfs/dbraw/zinc/66/68/39/737666839.db2.gz BOXAOUSTJKOFDN-UHFFFAOYSA-N -1 1 373.210 2.848 20 30 FFEDMM C=CCN1C(=S)N[C@H](c2ccc([O-])c(Cl)c2)C(C(=O)N(C)C)=C1C ZINC000921295433 737957642 /nfs/dbraw/zinc/95/76/42/737957642.db2.gz UPWYSHHIGZYGBA-OAHLLOKOSA-N -1 1 365.886 2.825 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCSC[C@H]2C#N)c([O-])c1 ZINC000775572388 738102398 /nfs/dbraw/zinc/10/23/98/738102398.db2.gz STRZCXCEAQXFII-GFCCVEGCSA-N -1 1 363.439 2.820 20 30 FFEDMM COc1ccc(CCC=NN=C2[N-]S(=O)(=O)c3ccccc32)c(C)c1 ZINC000777432528 738289114 /nfs/dbraw/zinc/28/91/14/738289114.db2.gz SRTXJKCWZDNYNY-UHFFFAOYSA-N -1 1 357.435 2.661 20 30 FFEDMM C=CCSc1ccccc1NC(=O)CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923532450 738298347 /nfs/dbraw/zinc/29/83/47/738298347.db2.gz TYPSWEDFDUBCCX-LSDHHAIUSA-N -1 1 360.479 2.946 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(C)cc1F ZINC000793385150 739775577 /nfs/dbraw/zinc/77/55/77/739775577.db2.gz NVVZVIZROOQMCS-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM C#Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000934922538 739866863 /nfs/dbraw/zinc/86/68/63/739866863.db2.gz QFNJXXIWORFHGH-RISCZKNCSA-N -1 1 353.344 2.589 20 30 FFEDMM CCc1cccc(F)c1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000794501604 739898706 /nfs/dbraw/zinc/89/87/06/739898706.db2.gz GKBOSCZQYAEDJZ-UHFFFAOYSA-N -1 1 365.386 2.750 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1Cl ZINC000799019192 740381666 /nfs/dbraw/zinc/38/16/66/740381666.db2.gz IYUNNYUIBWHUCM-UHFFFAOYSA-N -1 1 373.762 2.742 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(F)ccc(Br)c2F)c(=O)o1 ZINC000799888932 740460777 /nfs/dbraw/zinc/46/07/77/740460777.db2.gz JXDNIOIZTSAIMH-NDRDAGNVSA-N -1 1 371.133 2.956 20 30 FFEDMM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC000811833594 741565221 /nfs/dbraw/zinc/56/52/21/741565221.db2.gz JUYSIHOHJQKBDL-RUDMXATFSA-N -1 1 360.366 2.684 20 30 FFEDMM N#CCn1cc(NC(=O)c2c([O-])cnc3c(Br)cccc32)cn1 ZINC000813430102 741715064 /nfs/dbraw/zinc/71/50/64/741715064.db2.gz KBYMURPVNSNHQO-UHFFFAOYSA-N -1 1 372.182 2.675 20 30 FFEDMM CC(=O)N(c1nc(CN=Nc2ccc(C(=O)[O-])cc2F)cs1)C1CC1 ZINC000835012691 745930942 /nfs/dbraw/zinc/93/09/42/745930942.db2.gz SBHISYCMOCFHRX-UHFFFAOYSA-N -1 1 362.386 2.942 20 30 FFEDMM C=CCC[C@H](CO)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000837083157 746362456 /nfs/dbraw/zinc/36/24/56/746362456.db2.gz WLMIXUPERMCDFI-CYBMUJFWSA-N -1 1 350.415 2.796 20 30 FFEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=C[C@H]1CCOC1 ZINC000845844640 748336048 /nfs/dbraw/zinc/33/60/48/748336048.db2.gz JTUPOKSZAJUYRH-YBNRLKPGSA-N -1 1 354.225 2.995 20 30 FFEDMM CC(C)n1c(CCNC(=O)[C@H](C)Oc2ccccc2C#N)n[n-]c1=S ZINC000067075032 845492760 /nfs/dbraw/zinc/49/27/60/845492760.db2.gz IWDCCYDELUBWKO-LBPRGKRZSA-N -1 1 359.455 2.519 20 30 FFEDMM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001573334073 947447439 /nfs/dbraw/zinc/44/74/39/947447439.db2.gz JICUQIUMPKSBMD-LBPRGKRZSA-N -1 1 367.862 2.639 20 30 FFEDMM C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001602789627 971547072 /nfs/dbraw/zinc/54/70/72/971547072.db2.gz XNNZDHINEICZLF-AWEZNQCLSA-N -1 1 355.438 2.515 20 30 FFEDMM C=CCCC[C@@H](C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)c1ccccc1 ZINC000890962944 961213354 /nfs/dbraw/zinc/21/33/54/961213354.db2.gz FIZZHEBDFLEGNU-OAHLLOKOSA-N -1 1 351.410 2.805 20 30 FFEDMM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc2ccccc2cc1[O-] ZINC001270866441 967368251 /nfs/dbraw/zinc/36/82/51/967368251.db2.gz YLYASQUPDOAZDT-QZTJIDSGSA-N -1 1 350.418 2.937 20 30 FFEDMM C#CCN(CC#C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000179685193 969022368 /nfs/dbraw/zinc/02/23/68/969022368.db2.gz JUTOGZPPFIYJSC-UHFFFAOYSA-N -1 1 368.339 2.631 20 30 FFEDMM O=[N+]([O-])c1ccc([O-])c(/C=N\CCN2CCN(Cc3ccccc3)CC2)c1 ZINC000255873227 969284105 /nfs/dbraw/zinc/28/41/05/969284105.db2.gz XOTADVZVUHDEOW-QNGOZBTKSA-N -1 1 368.437 2.537 20 30 FFEDMM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC001271436240 973021412 /nfs/dbraw/zinc/02/14/12/973021412.db2.gz ACCJJTDJLNWCRZ-HNNXBMFYSA-N -1 1 362.857 2.980 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@](C)(CCF)C(=O)[O-] ZINC001592225948 977414830 /nfs/dbraw/zinc/41/48/30/977414830.db2.gz QHEGQGLTSPPOAN-SJKOYZFVSA-N -1 1 367.446 2.812 20 30 FFEDMM C=CCCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC001211739487 977683506 /nfs/dbraw/zinc/68/35/06/977683506.db2.gz PGTUSAXQXCACCC-UHFFFAOYSA-N -1 1 352.225 2.841 20 30 FFEDMM C=CCn1ccc2c1ncnc2NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167934354 978177029 /nfs/dbraw/zinc/17/70/29/978177029.db2.gz RMRCYYQYFJIHDO-UHFFFAOYSA-N -1 1 370.349 2.702 20 30 FFEDMM N#CCCCN1CC[C@@]2(CCCN2C(=O)c2ccc([O-])cc2Cl)C1=O ZINC001271914846 979268522 /nfs/dbraw/zinc/26/85/22/979268522.db2.gz JFSQXRLZYXBQOX-SFHVURJKSA-N -1 1 361.829 2.556 20 30 FFEDMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1CC#Cc1ccccc1Cl ZINC001088538576 980481298 /nfs/dbraw/zinc/48/12/98/980481298.db2.gz GXHPHZYJSDDSKT-PBHICJAKSA-N -1 1 369.852 2.685 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908743040 981515959 /nfs/dbraw/zinc/51/59/59/981515959.db2.gz KVBOCKPUBWNARW-JKSUJKDBSA-N -1 1 363.458 2.915 20 30 FFEDMM C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000909239704 981662046 /nfs/dbraw/zinc/66/20/46/981662046.db2.gz HNWXVILFUFUCLZ-AWEZNQCLSA-N -1 1 372.473 2.898 20 30 FFEDMM COc1ccc(NC(=S)NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)cc1 ZINC000765553349 985185918 /nfs/dbraw/zinc/18/59/18/985185918.db2.gz JIGYUQJKPNVRRJ-UHFFFAOYSA-N -1 1 369.406 2.590 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)c1ccccc1 ZINC000914024441 987121299 /nfs/dbraw/zinc/12/12/99/987121299.db2.gz GPVMXYBFIVINKH-GOSISDBHSA-N -1 1 372.446 2.509 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1C#N ZINC001128589776 989529813 /nfs/dbraw/zinc/52/98/13/989529813.db2.gz SGSXWQVVGUAPPX-UHFFFAOYSA-N -1 1 370.369 2.557 20 30 FFEDMM CCN1c2ccc(C)cc2C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000917022288 990095191 /nfs/dbraw/zinc/09/51/91/990095191.db2.gz HDSBRMSZRCHVTC-UHFFFAOYSA-N -1 1 369.337 2.994 20 30 FFEDMM CC(C)C[C@H](CN1CCC(C#N)(C(=O)[O-])CC1)NC(=O)OC(C)(C)C ZINC001591143711 991872024 /nfs/dbraw/zinc/87/20/24/991872024.db2.gz BSCPHTDYYPOYMP-CQSZACIVSA-N -1 1 353.463 2.616 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000185291732 993275132 /nfs/dbraw/zinc/27/51/32/993275132.db2.gz ONBLOAXVKNCRBI-CQSZACIVSA-N -1 1 372.446 2.638 20 30 FFEDMM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809712130 994590543 /nfs/dbraw/zinc/59/05/43/994590543.db2.gz CQEWLLFKPWVDGZ-OAHLLOKOSA-N -1 1 361.442 2.933 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000676843617 1016029342 /nfs/dbraw/zinc/02/93/42/1016029342.db2.gz NJKAIXTXRZEGQU-UHFFFAOYSA-N -1 1 370.430 2.547 20 30 FFEDMM C#CC1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CC1 ZINC000844046943 997623323 /nfs/dbraw/zinc/62/33/23/997623323.db2.gz KAIMOEILBKGHCV-UHFFFAOYSA-N -1 1 370.327 2.988 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(OC)c(O)c(OC)c1 ZINC001599375272 998475097 /nfs/dbraw/zinc/47/50/97/998475097.db2.gz RBPUMWUSAFUEBW-UHFFFAOYSA-N -1 1 360.366 2.952 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001169962210 1000090869 /nfs/dbraw/zinc/09/08/69/1000090869.db2.gz LCELPPTYBMERIC-UHFFFAOYSA-N -1 1 373.716 2.618 20 30 FFEDMM COc1ccc(NN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000767797804 1000146178 /nfs/dbraw/zinc/14/61/78/1000146178.db2.gz QUMJDSFJDCQMDN-LLVKDONJSA-N -1 1 359.338 2.901 20 30 FFEDMM CC(C)(C)OC(=O)NCC1(CCNC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000846455799 1000309036 /nfs/dbraw/zinc/30/90/36/1000309036.db2.gz WIDFERLSWUHAKP-UHFFFAOYSA-N -1 1 359.426 2.689 20 30 FFEDMM Cn1ncc2c1nc(N=NCc1ccc3c(c1)CCC(C)(C)O3)[n-]c2=O ZINC000769819585 1000598416 /nfs/dbraw/zinc/59/84/16/1000598416.db2.gz NXXXVBPRLCFVFG-UHFFFAOYSA-N -1 1 352.398 2.619 20 30 FFEDMM Cc1ncnc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1C ZINC001147070798 1000822535 /nfs/dbraw/zinc/82/25/35/1000822535.db2.gz QDZKZGLLBQOIFB-UHFFFAOYSA-N -1 1 354.288 2.558 20 30 FFEDMM C=CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001148801306 1001214733 /nfs/dbraw/zinc/21/47/33/1001214733.db2.gz XZYYFKDUAPBYTK-LBPRGKRZSA-N -1 1 372.343 2.928 20 30 FFEDMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000785613106 1001462457 /nfs/dbraw/zinc/46/24/57/1001462457.db2.gz LZWRZZNNKRDCSW-WFASDCNBSA-N -1 1 359.426 2.782 20 30 FFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2oc(CC3CC3)nc2C)c1 ZINC000789342136 1002050124 /nfs/dbraw/zinc/05/01/24/1002050124.db2.gz IKXSTSJHOLSHAD-HNNXBMFYSA-N -1 1 353.378 2.905 20 30 FFEDMM CC(=O)SC[C@@H](Cc1ccccc1)C(=O)N([O-])C(=N)c1ccccc1N ZINC001183125809 1002158025 /nfs/dbraw/zinc/15/80/25/1002158025.db2.gz IOXKWAFMQXDNMY-OAHLLOKOSA-N -1 1 371.462 2.951 20 30 FFEDMM N#CCc1ccc(C(F)(F)F)cc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170220168 1003055938 /nfs/dbraw/zinc/05/59/38/1003055938.db2.gz UJAZXHZHSDTMKM-UHFFFAOYSA-N -1 1 350.260 2.544 20 30 FFEDMM N#Cc1nc2ccc([N-]S(=O)(=O)c3ccc4nsnc4c3)cc2s1 ZINC001186262924 1003249782 /nfs/dbraw/zinc/24/97/82/1003249782.db2.gz IIVAXZXXSOJUNK-UHFFFAOYSA-N -1 1 373.444 2.973 20 30 FFEDMM CC[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000780156662 1016794561 /nfs/dbraw/zinc/79/45/61/1016794561.db2.gz GMBJWOFJHMBPEK-HNNXBMFYSA-N -1 1 374.418 2.955 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)nc2F)ccc1Br ZINC001197287406 1004163919 /nfs/dbraw/zinc/16/39/19/1004163919.db2.gz RVJFKDGORBCTHM-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)n(-c2ccccc2Br)n1 ZINC001193113018 1004377769 /nfs/dbraw/zinc/37/77/69/1004377769.db2.gz XMEKTVLHDNLEHQ-SNVBAGLBSA-N -1 1 369.244 2.597 20 30 FFEDMM N#Cc1ccnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000807108607 1004510822 /nfs/dbraw/zinc/51/08/22/1004510822.db2.gz ZWIYYYFRIZZXGV-MRXNPFEDSA-N -1 1 370.840 2.707 20 30 FFEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(F)c(OC)cc1F ZINC001193957376 1004618975 /nfs/dbraw/zinc/61/89/75/1004618975.db2.gz BKTLYWIALRXAQY-UHFFFAOYSA-N -1 1 352.318 2.945 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1F ZINC001201320307 1005199093 /nfs/dbraw/zinc/19/90/93/1005199093.db2.gz VYWRHELDZBALJU-UHFFFAOYSA-N -1 1 364.398 2.832 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2C(C)(C)C(=O)NC3)cc1C#N ZINC001201323444 1005200159 /nfs/dbraw/zinc/20/01/59/1005200159.db2.gz FEQHPTJWBACYHO-UHFFFAOYSA-N -1 1 369.446 2.575 20 30 FFEDMM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC001201766171 1005264071 /nfs/dbraw/zinc/26/40/71/1005264071.db2.gz CDFKMYVKGJPARV-JTQLQIEISA-N -1 1 366.892 2.527 20 30 FFEDMM C=CCC(CC=C)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001490422274 1005718521 /nfs/dbraw/zinc/71/85/21/1005718521.db2.gz MSBFUHKCDMUEIE-NVXWUHKLSA-N -1 1 371.481 2.770 20 30 FFEDMM CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000814848008 1006450291 /nfs/dbraw/zinc/45/02/91/1006450291.db2.gz MGDPLIXVEOREJI-XJKSGUPXSA-N -1 1 366.425 2.820 20 30 FFEDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001116189767 1032180495 /nfs/dbraw/zinc/18/04/95/1032180495.db2.gz XTPOGVBFBHGBTB-UHFFFAOYSA-N -1 1 357.435 2.612 20 30 FFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(O)ccc2Br)c1 ZINC001190647796 1007733331 /nfs/dbraw/zinc/73/33/31/1007733331.db2.gz ARYQXOOYKWWXFF-UHFFFAOYSA-N -1 1 371.187 2.966 20 30 FFEDMM C=CCC1(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC001190821425 1007794790 /nfs/dbraw/zinc/79/47/90/1007794790.db2.gz CYAKQQOKEPYWGA-UHFFFAOYSA-N -1 1 365.842 2.736 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)c1C#N ZINC000137529556 1008620508 /nfs/dbraw/zinc/62/05/08/1008620508.db2.gz QWGIHBYINCCXGR-HNNXBMFYSA-N -1 1 371.462 2.893 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@H]2C[C@@]23c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001179732329 1009425764 /nfs/dbraw/zinc/42/57/64/1009425764.db2.gz XMLFBSDQCFHNLC-OPAMFIHVSA-N -1 1 373.412 2.917 20 30 FFEDMM N#Cc1ccccc1N1CCC(C(=O)N([O-])C(=N)c2ccccc2N)CC1 ZINC001180507054 1009728957 /nfs/dbraw/zinc/72/89/57/1009728957.db2.gz GAHBSFAYJHXYBI-UHFFFAOYSA-N -1 1 363.421 2.600 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)[C@H](C#N)CCc2ccccc2)[n-]c1=O ZINC000889789370 1010119248 /nfs/dbraw/zinc/11/92/48/1010119248.db2.gz DQJVYBUEWSVYKL-JKSUJKDBSA-N -1 1 366.421 2.627 20 30 FFEDMM Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794590242 1010406367 /nfs/dbraw/zinc/40/63/67/1010406367.db2.gz RLZAAHBFTCVHBL-UHFFFAOYSA-N -1 1 371.418 2.819 20 30 FFEDMM N#CCCCN1CC[C@]2(CCCN2C(=O)c2ccc(Cl)cc2[O-])C1=O ZINC001274883935 1011727420 /nfs/dbraw/zinc/72/74/20/1011727420.db2.gz WXUKGANRKNKTKI-GOSISDBHSA-N -1 1 361.829 2.556 20 30 FFEDMM CN1CCN(c2ccccc2-c2noc(-c3cccc(C#N)c3[O-])n2)CC1 ZINC001216980137 1032577944 /nfs/dbraw/zinc/57/79/44/1032577944.db2.gz RAERETXPXKHHJP-UHFFFAOYSA-N -1 1 361.405 2.733 20 30 FFEDMM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c([O-])c(F)c1 ZINC001275427990 1012448138 /nfs/dbraw/zinc/44/81/38/1012448138.db2.gz CINCXPWPFMEFBG-IBGZPJMESA-N -1 1 363.408 2.931 20 30 FFEDMM CCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc21 ZINC000901874194 1019535975 /nfs/dbraw/zinc/53/59/75/1019535975.db2.gz NPVRABUGIDVFGL-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM Cc1nc(-c2ccc(NCCNc3ncccc3C#N)nc2)[n-]c(=O)c1C ZINC000749274801 1020913010 /nfs/dbraw/zinc/91/30/10/1020913010.db2.gz REVGIYATSFCSOG-UHFFFAOYSA-N -1 1 361.409 2.652 20 30 FFEDMM C#CCN(CC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001116368702 1021181952 /nfs/dbraw/zinc/18/19/52/1021181952.db2.gz CBFHYXQILVUNLK-UHFFFAOYSA-N -1 1 368.458 2.973 20 30 FFEDMM Cc1cc(F)c(S(=O)(=O)Nc2ccc(OCC#N)cc2)cc1C(=O)[O-] ZINC001116369431 1021182188 /nfs/dbraw/zinc/18/21/88/1021182188.db2.gz ZFTZXTLPOQMDSL-UHFFFAOYSA-N -1 1 364.354 2.536 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(N2CCCCC2)cc1 ZINC001116496213 1021247197 /nfs/dbraw/zinc/24/71/97/1021247197.db2.gz WGJQSUPEDHHAAB-UHFFFAOYSA-N -1 1 369.446 2.556 20 30 FFEDMM C#C[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000754389224 1023464228 /nfs/dbraw/zinc/46/42/28/1023464228.db2.gz XWVFGCKQQNFTRW-OAHLLOKOSA-N -1 1 372.446 2.638 20 30 FFEDMM C=CCN(CCc1ccco1)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001121518828 1023822484 /nfs/dbraw/zinc/82/24/84/1023822484.db2.gz RJMZYWUJXAWYCE-UHFFFAOYSA-N -1 1 366.425 2.683 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCO[C@@H](CCC)C1 ZINC001121601289 1023874235 /nfs/dbraw/zinc/87/42/35/1023874235.db2.gz CXMKJYZPBHZRIL-AWEZNQCLSA-N -1 1 370.457 2.509 20 30 FFEDMM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000837233880 1025670008 /nfs/dbraw/zinc/67/00/08/1025670008.db2.gz ASGAWQAFCAFMOZ-CZUORRHYSA-N -1 1 373.453 2.887 20 30 FFEDMM C#C[C@@H]1CCCCN1C(=O)c1ccc(I)c([O-])c1 ZINC001158806747 1027142778 /nfs/dbraw/zinc/14/27/78/1027142778.db2.gz WTNAJFKBNHXJBU-LLVKDONJSA-N -1 1 355.175 2.625 20 30 FFEDMM Cc1nn(-c2ccc(C#N)cc2)c(=NC(=O)c2cc(F)cc(Cl)c2[O-])[nH]1 ZINC001160836104 1027895037 /nfs/dbraw/zinc/89/50/37/1027895037.db2.gz AABMAEFTMURHQJ-UHFFFAOYSA-N -1 1 371.759 2.620 20 30 FFEDMM N#Cc1cccc(NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)n1 ZINC001153874067 1028040371 /nfs/dbraw/zinc/04/03/71/1028040371.db2.gz QNMWNLXVWVMFOA-UHFFFAOYSA-N -1 1 369.178 2.810 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(N[C@H]2CCCc3nccnc32)n1 ZINC001161408324 1028160262 /nfs/dbraw/zinc/16/02/62/1028160262.db2.gz TYWPHXKOIWJIQU-DSSNYXJPSA-N -1 1 350.835 2.940 20 30 FFEDMM N#Cc1ccc(NC(=O)c2nn3ccccc3c2Br)c([O-])c1 ZINC001155368461 1028698598 /nfs/dbraw/zinc/69/85/98/1028698598.db2.gz BKNCASFFHKLXGF-UHFFFAOYSA-N -1 1 357.167 2.926 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000783831139 1030297400 /nfs/dbraw/zinc/29/74/00/1030297400.db2.gz XFQWTJGTEJUTBJ-GJZGRUSLSA-N -1 1 359.426 2.830 20 30 FFEDMM CC(=CN=Nc1nc2[nH][n-]cc-2c(=O)n1)Cc1ccccc1C(F)(F)F ZINC000799879891 1031919306 /nfs/dbraw/zinc/91/93/06/1031919306.db2.gz SZWYUAHDVDWYST-FJRJLKPDSA-N -1 1 362.315 2.952 20 30 FFEDMM CS(=O)(=O)c1ccc(N=NCc2cn(CC(=O)[O-])c3ccccc23)cc1 ZINC000799875154 1031919351 /nfs/dbraw/zinc/91/93/51/1031919351.db2.gz OTJRUOZTQVGBGO-UHFFFAOYSA-N -1 1 371.418 2.575 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCCCOCCc2ccccc2)c2ccccc21 ZINC001115866661 1031992219 /nfs/dbraw/zinc/99/22/19/1031992219.db2.gz MTYGLWMQRQQCHP-UHFFFAOYSA-N -1 1 358.463 2.765 20 30 FFEDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c1 ZINC001115930293 1032021158 /nfs/dbraw/zinc/02/11/58/1032021158.db2.gz UHPLIFCCMWLIAE-UHFFFAOYSA-N -1 1 360.391 2.566 20 30 FFEDMM O=C1C[C@H](O/C(=N\[O-])c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC001223594599 1033511800 /nfs/dbraw/zinc/51/18/00/1033511800.db2.gz YIGZGWOMLOCORI-IENXAOORSA-N -1 1 358.781 2.820 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](O/C(=N\[O-])c2cc(F)ccc2F)C1 ZINC001223888229 1033628098 /nfs/dbraw/zinc/62/80/98/1033628098.db2.gz DDFXKGWLEVXEEC-BXNUTVBJSA-N -1 1 367.352 2.876 20 30 FFEDMM O=[N+]([O-])C[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)c1ccc2c(c1)OCO2 ZINC001223890780 1033628607 /nfs/dbraw/zinc/62/86/07/1033628607.db2.gz YFCNEQRTRMLCPP-YGMPWRRSSA-N -1 1 366.276 2.864 20 30 FFEDMM CCOCc1nn(CC2CC2)c2c1CN(Cc1cc(C#N)ccc1[O-])CC2 ZINC001232675735 1035933073 /nfs/dbraw/zinc/93/30/73/1035933073.db2.gz UOQNIWTVHXNRND-UHFFFAOYSA-N -1 1 366.465 2.965 20 30 FFEDMM O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])cc1OC[C@H]1COC(=O)O1 ZINC001229269952 1036590061 /nfs/dbraw/zinc/59/00/61/1036590061.db2.gz LOQSHWFZMGEURW-GZTQLTBSSA-N -1 1 356.330 2.908 20 30 FFEDMM COc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(OC2CN(C)C2)c1 ZINC001229686976 1036830112 /nfs/dbraw/zinc/83/01/12/1036830112.db2.gz GFVKDHWPPQUTDE-XVNBXDOJSA-N -1 1 355.390 2.695 20 30 FFEDMM COc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(OC(=O)C[C@@H](C)O)c1 ZINC001229695828 1036834611 /nfs/dbraw/zinc/83/46/11/1036834611.db2.gz ZDRMKSFNKFULAK-QDBLGGKGSA-N -1 1 372.373 2.679 20 30 FFEDMM CC#C[C@H](CC)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229791639 1036899406 /nfs/dbraw/zinc/89/94/06/1036899406.db2.gz NPDJFOAEXQMMDU-NSHDSACASA-N -1 1 358.346 2.626 20 30 FFEDMM C#CC[C@@H](CC)Oc1cc(C(=O)OC)cc([O-])c1I ZINC001234433494 1037035376 /nfs/dbraw/zinc/03/53/76/1037035376.db2.gz IIHMTZSNXNMCIL-SNVBAGLBSA-N -1 1 374.174 2.964 20 30 FFEDMM COc1c(/C=C/C(=O)c2ccc([O-])cc2)ccc(O)c1O[C@@H](C)CON ZINC001230162660 1037125967 /nfs/dbraw/zinc/12/59/67/1037125967.db2.gz XBXGHZWBTSCBQO-LHXVZLOVSA-N -1 1 359.378 2.660 20 30 FFEDMM O=C1C=C[C@@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(O)cc2O)O3)C1 ZINC001234754652 1037168859 /nfs/dbraw/zinc/16/88/59/1037168859.db2.gz RAYZMYCDMDLZQE-DYVFJYSZSA-N -1 1 368.341 2.786 20 30 FFEDMM C=C(C)CN1C[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277510944 1037552673 /nfs/dbraw/zinc/55/26/73/1037552673.db2.gz UQHHEHYCQMADAE-GOSISDBHSA-N -1 1 368.836 2.564 20 30 FFEDMM C=CCCCCCN1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001209432281 1038859861 /nfs/dbraw/zinc/85/98/61/1038859861.db2.gz CAUIENNNCYHZTO-AWEZNQCLSA-N -1 1 356.513 2.764 20 30 FFEDMM N#Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC001259082352 1039697567 /nfs/dbraw/zinc/69/75/67/1039697567.db2.gz WKTIQRFXWYYWCY-UHFFFAOYSA-N -1 1 370.352 2.723 20 30 FFEDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)cc1 ZINC001259324793 1039915095 /nfs/dbraw/zinc/91/50/95/1039915095.db2.gz UXEOBLSQSHGUSX-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM C[C@](C#N)([N-]S(=O)(=O)c1cccc2nonc21)c1ccccc1Cl ZINC001260443787 1040594999 /nfs/dbraw/zinc/59/49/99/1040594999.db2.gz FBEXQHFYGZGVQF-OAHLLOKOSA-N -1 1 362.798 2.593 20 30 FFEDMM CCCCCCCNC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001249644964 1040912727 /nfs/dbraw/zinc/91/27/27/1040912727.db2.gz MKGLINTYUMGELG-UHFFFAOYSA-N -1 1 373.544 2.899 20 30 FFEDMM CCCCCCCNC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1[O-] ZINC001249642491 1040913383 /nfs/dbraw/zinc/91/33/83/1040913383.db2.gz COWYROIDEVZRJG-UHFFFAOYSA-N -1 1 373.544 2.899 20 30 FFEDMM C#Cc1cccc(NC(=O)N[C@@H](CC(C)C)c2n[n-]c(C(=O)OCC)n2)c1 ZINC001214232080 1041319663 /nfs/dbraw/zinc/31/96/63/1041319663.db2.gz HHDUXYBOFZGLGA-HNNXBMFYSA-N -1 1 369.425 2.872 20 30 FFEDMM C#Cc1cccc(NC(=O)N[C@@H](CC(C)C)c2nnc(C(=O)OCC)[n-]2)c1 ZINC001214232080 1041319672 /nfs/dbraw/zinc/31/96/72/1041319672.db2.gz HHDUXYBOFZGLGA-HNNXBMFYSA-N -1 1 369.425 2.872 20 30 FFEDMM C#Cc1cccc(NC(=O)N[C@@H](CC(C)C)c2nc(C(=O)OCC)n[n-]2)c1 ZINC001214232080 1041319678 /nfs/dbraw/zinc/31/96/78/1041319678.db2.gz HHDUXYBOFZGLGA-HNNXBMFYSA-N -1 1 369.425 2.872 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N(C)Cc1cnc(C)s1 ZINC001263288387 1042222914 /nfs/dbraw/zinc/22/29/14/1042222914.db2.gz QPGVLFPQONNVMB-UHFFFAOYSA-N -1 1 364.866 2.694 20 30 FFEDMM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccn(-c2ccncc2)n1)c1ccccc1 ZINC001263472441 1042331807 /nfs/dbraw/zinc/33/18/07/1042331807.db2.gz FEBNFUMZARCIAD-ZWKOTPCHSA-N -1 1 373.416 2.857 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(C)c2CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237938520 1043443098 /nfs/dbraw/zinc/44/30/98/1043443098.db2.gz JJVYOOZIFQOELT-OAHLLOKOSA-N -1 1 366.824 2.615 20 30 FFEDMM C=CCOc1cccc(NC(=O)NC(C)(C)c2ncc(OC)c(=O)[n-]2)c1 ZINC001310188275 1043648709 /nfs/dbraw/zinc/64/87/09/1043648709.db2.gz KBXLKERLVKPMES-UHFFFAOYSA-N -1 1 358.398 2.812 20 30 FFEDMM CCOC(=O)C1CCN(c2ccc(-c3ccc([O-])c(C#N)c3)nn2)CC1 ZINC001242563913 1044751465 /nfs/dbraw/zinc/75/14/65/1044751465.db2.gz NSEARZLQQOCINX-UHFFFAOYSA-N -1 1 352.394 2.500 20 30 FFEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2O)nnc1-c1ccccn1 ZINC001319433991 1045149149 /nfs/dbraw/zinc/14/91/49/1045149149.db2.gz RWHZGMCVYRNABK-UHFFFAOYSA-N -1 1 368.418 2.912 20 30 FFEDMM CCN(c1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1)C(C)C ZINC001320512284 1045421940 /nfs/dbraw/zinc/42/19/40/1045421940.db2.gz UWLSPQPZANDVDE-UHFFFAOYSA-N -1 1 371.462 2.800 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001342039125 1050636627 /nfs/dbraw/zinc/63/66/27/1050636627.db2.gz JEOZRTKYMBANHH-CQSZACIVSA-N -1 1 370.457 2.508 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC001340539213 1050929032 /nfs/dbraw/zinc/92/90/32/1050929032.db2.gz MCHVHCVWICSDAI-OAHLLOKOSA-N -1 1 366.425 2.910 20 30 FFEDMM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc([O-])cc3F)CC2)c1 ZINC001542702940 1071283660 /nfs/dbraw/zinc/28/36/60/1071283660.db2.gz VGXRUPCJWOJIMA-UHFFFAOYSA-N -1 1 367.380 2.894 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(CC)CCOCC ZINC001346592951 1053138317 /nfs/dbraw/zinc/13/83/17/1053138317.db2.gz KACJURBIZVADJB-UHFFFAOYSA-N -1 1 372.473 2.757 20 30 FFEDMM CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c(F)c1F ZINC001347129854 1053648760 /nfs/dbraw/zinc/64/87/60/1053648760.db2.gz UTJOOOWZFXRWJC-NSHDSACASA-N -1 1 354.353 2.916 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CCCCOC ZINC001356618416 1055617879 /nfs/dbraw/zinc/61/78/79/1055617879.db2.gz MIRWNUOOPYSUMV-UHFFFAOYSA-N -1 1 372.473 2.757 20 30 FFEDMM CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001352688516 1055715468 /nfs/dbraw/zinc/71/54/68/1055715468.db2.gz CZZSLPZELSAAKE-NVXWUHKLSA-N -1 1 365.437 2.730 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001339039336 1056037210 /nfs/dbraw/zinc/03/72/10/1056037210.db2.gz DIXAUQMTLGDNOY-UHFFFAOYSA-N -1 1 354.389 2.570 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CC[C@]2(CCOC2=O)C1 ZINC001339158865 1056152033 /nfs/dbraw/zinc/15/20/33/1056152033.db2.gz TVRILNOCWXXHBB-SFHVURJKSA-N -1 1 374.828 2.634 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001339499326 1056518661 /nfs/dbraw/zinc/51/86/61/1056518661.db2.gz WUSRCTIGALMENT-GASCZTMLSA-N -1 1 364.453 2.907 20 30 FFEDMM N#C[C@@H]1CCCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2cccs2)C1 ZINC001515025355 1059234547 /nfs/dbraw/zinc/23/45/47/1059234547.db2.gz NVPNUZIWFJWRKR-JTQLQIEISA-N -1 1 374.861 2.566 20 30 FFEDMM CCCC[C@@H](ON=C(C)C)C(=O)NC(C)(C)c1ncc(OC)c(=O)[n-]1 ZINC001456154054 1060027245 /nfs/dbraw/zinc/02/72/45/1060027245.db2.gz ZBMWLHHBBZIUGV-GFCCVEGCSA-N -1 1 352.435 2.513 20 30 FFEDMM CCn1ccnc1C(C#N)=C([O-])c1nc(C(F)(F)F)n2c1CCCC2 ZINC001517047748 1060321732 /nfs/dbraw/zinc/32/17/32/1060321732.db2.gz YGOZCBFHPKNDPV-JTQLQIEISA-N -1 1 351.332 2.945 20 30 FFEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ncc(C#N)cc3F)c2)n1 ZINC001458358703 1060573354 /nfs/dbraw/zinc/57/33/54/1060573354.db2.gz JFBPHAGEEKRZEN-UHFFFAOYSA-N -1 1 366.356 2.666 20 30 FFEDMM N#Cc1csc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC001475731340 1061240488 /nfs/dbraw/zinc/24/04/88/1061240488.db2.gz RCHKSIYBIZMQEA-UHFFFAOYSA-N -1 1 365.333 2.651 20 30 FFEDMM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001463739906 1062235154 /nfs/dbraw/zinc/23/51/54/1062235154.db2.gz VQZKEYNRZWOURG-SCZZXKLOSA-N -1 1 361.236 2.784 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2ccc(I)cc2[O-])cn1 ZINC001466817513 1063567366 /nfs/dbraw/zinc/56/73/66/1063567366.db2.gz GKCPZCCKIIGZDZ-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001472594811 1065107402 /nfs/dbraw/zinc/10/74/02/1065107402.db2.gz DCDMEZVGPGGXON-LJQANCHMSA-N -1 1 362.385 2.928 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NCc2ccc([O-])c(F)c2F)C1 ZINC001474424857 1065519444 /nfs/dbraw/zinc/51/94/44/1065519444.db2.gz RRGJUFRVERHKAI-VXGBXAGGSA-N -1 1 353.369 2.519 20 30 FFEDMM Cc1cc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c(C)n1-c1ccccc1 ZINC001580928573 1078893237 /nfs/dbraw/zinc/89/32/37/1078893237.db2.gz RBAUPLHAJABVFM-UHFFFAOYSA-N -1 1 371.408 2.548 20 30 FFEDMM N#Cc1cccc([C@@H](NCc2nc(-c3nnn[n-]3)cs2)C(F)(F)F)c1 ZINC001581875059 1079012033 /nfs/dbraw/zinc/01/20/33/1079012033.db2.gz UIYYYHKFLSJPQJ-GFCCVEGCSA-N -1 1 365.344 2.588 20 30 FFEDMM N#Cc1cccc([C@@H](NCc2nc(-c3nn[n-]n3)cs2)C(F)(F)F)c1 ZINC001581875059 1079012041 /nfs/dbraw/zinc/01/20/41/1079012041.db2.gz UIYYYHKFLSJPQJ-GFCCVEGCSA-N -1 1 365.344 2.588 20 30 FFEDMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC001558555927 1076031858 /nfs/dbraw/zinc/03/18/58/1076031858.db2.gz SNIWBQFHOAMMSG-UHFFFAOYSA-N -1 1 365.212 2.666 20 30 FFEDMM Cc1nc(C#N)c(N2CCC(C(=O)NCc3cccc(Cl)c3[O-])CC2)o1 ZINC001558757271 1076070699 /nfs/dbraw/zinc/07/06/99/1076070699.db2.gz XUINXSRTBVKJBI-UHFFFAOYSA-N -1 1 374.828 2.747 20 30 FFEDMM C#CCOc1ccccc1CNC(=O)NCCc1c(F)cc([O-])cc1F ZINC001564067421 1076602829 /nfs/dbraw/zinc/60/28/29/1076602829.db2.gz HKJFKBSRRCEZQI-UHFFFAOYSA-N -1 1 360.360 2.724 20 30 FFEDMM COc1cccc([C@H](C#N)NC(=O)c2ncc3ccccc3c2[O-])c1OC ZINC001565643897 1076749508 /nfs/dbraw/zinc/74/95/08/1076749508.db2.gz ZWHHRAYNVJOTLS-HNNXBMFYSA-N -1 1 363.373 2.952 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001565899864 1076788222 /nfs/dbraw/zinc/78/82/22/1076788222.db2.gz SBOBCIXCBFDMEM-JKSUJKDBSA-N -1 1 363.446 2.930 20 30 FFEDMM C#CCN1CCC(NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC001573311636 1077666626 /nfs/dbraw/zinc/66/66/26/1077666626.db2.gz UZJXFBJBYDQFFZ-UHFFFAOYSA-N -1 1 351.406 2.757 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001573736328 1077777937 /nfs/dbraw/zinc/77/79/37/1077777937.db2.gz SHDFTLRXXHXFRS-CPUCHLNUSA-N -1 1 361.417 2.503 20 30 FFEDMM C=C(C)CCC(=O)NC[C@@H](CC)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588415304 1080018750 /nfs/dbraw/zinc/01/87/50/1080018750.db2.gz IDXWCUPUZBNMNX-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=C(C)CCC(=O)NC[C@@H](CC)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588415304 1080018758 /nfs/dbraw/zinc/01/87/58/1080018758.db2.gz IDXWCUPUZBNMNX-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=C(C)CCC(=O)NCC[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588417925 1080020023 /nfs/dbraw/zinc/02/00/23/1080020023.db2.gz KPYHIRFDTZBBDT-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCCCCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588596836 1080117141 /nfs/dbraw/zinc/11/71/41/1080117141.db2.gz ZWXXMHFWDVBDFF-UHFFFAOYSA-N -1 1 359.430 2.806 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001588615137 1080122463 /nfs/dbraw/zinc/12/24/63/1080122463.db2.gz LEDZEYYQEJEMMZ-OAHLLOKOSA-N -1 1 360.458 2.979 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001588622660 1080125268 /nfs/dbraw/zinc/12/52/68/1080125268.db2.gz BLSBSCHQLGTHAD-UHFFFAOYSA-N -1 1 350.846 2.842 20 30 FFEDMM C=CCN(Cc1ccccc1F)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588653697 1080143407 /nfs/dbraw/zinc/14/34/07/1080143407.db2.gz VAOMVUFVNIEMEM-UHFFFAOYSA-N -1 1 373.417 2.991 20 30 FFEDMM C=CCN(Cc1ccccc1F)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588653697 1080143411 /nfs/dbraw/zinc/14/34/11/1080143411.db2.gz VAOMVUFVNIEMEM-UHFFFAOYSA-N -1 1 373.417 2.991 20 30 FFEDMM CC1(C)CCc2sc(NC(=O)c3ccnc(-c4nnn[n-]4)c3)c(C#N)c21 ZINC001590100871 1081013220 /nfs/dbraw/zinc/01/32/20/1081013220.db2.gz RVBYVQZTBDCLKV-UHFFFAOYSA-N -1 1 365.422 2.671 20 30 FFEDMM CC1(C)CCc2sc(NC(=O)c3ccnc(-c4nn[n-]n4)c3)c(C#N)c21 ZINC001590100871 1081013224 /nfs/dbraw/zinc/01/32/24/1081013224.db2.gz RVBYVQZTBDCLKV-UHFFFAOYSA-N -1 1 365.422 2.671 20 30 FFEDMM Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289850729 257303061 /nfs/dbraw/zinc/30/30/61/257303061.db2.gz PNPURSQZSKYZCC-CYBMUJFWSA-N -1 1 368.359 2.789 20 30 FFEDMM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000032088966 506229974 /nfs/dbraw/zinc/22/99/74/506229974.db2.gz STOJQOCXCKNKET-UHFFFAOYSA-N -1 1 371.462 2.770 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCC)c2)c1 ZINC000055652047 506814373 /nfs/dbraw/zinc/81/43/73/506814373.db2.gz RNRPGEDVZANRNJ-UHFFFAOYSA-N -1 1 360.435 2.802 20 30 FFEDMM C[C@H](C#N)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000045851142 507033392 /nfs/dbraw/zinc/03/33/92/507033392.db2.gz SFKHLAXTAVKLJX-CQSZACIVSA-N -1 1 357.435 2.719 20 30 FFEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000057121369 507175925 /nfs/dbraw/zinc/17/59/25/507175925.db2.gz RGMQRXLHNWAHRD-CYBMUJFWSA-N -1 1 357.435 2.887 20 30 FFEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cn2)n1 ZINC000024577990 507420797 /nfs/dbraw/zinc/42/07/97/507420797.db2.gz HDZIZXZUNRZMJO-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccccc3C#N)CCCCCC2)no1 ZINC000024689008 507430347 /nfs/dbraw/zinc/43/03/47/507430347.db2.gz PLFFFHQQFDFPJT-UHFFFAOYSA-N -1 1 360.439 2.778 20 30 FFEDMM C=CC1CCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CC1 ZINC000377613122 512353229 /nfs/dbraw/zinc/35/32/29/512353229.db2.gz YDOYOQIHAUSYEQ-UHFFFAOYSA-N -1 1 352.438 2.910 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1F ZINC000076936533 508264586 /nfs/dbraw/zinc/26/45/86/508264586.db2.gz KUZQZJBSQYEUPW-UHFFFAOYSA-N -1 1 364.398 2.832 20 30 FFEDMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000157334509 508553287 /nfs/dbraw/zinc/55/32/87/508553287.db2.gz RMYOCWOQASOIJY-UHFFFAOYSA-N -1 1 352.847 2.871 20 30 FFEDMM CCN(CCC#N)C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000118946201 508693621 /nfs/dbraw/zinc/69/36/21/508693621.db2.gz NGBKPPITFMULFV-UHFFFAOYSA-N -1 1 356.451 2.600 20 30 FFEDMM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000130501077 508823822 /nfs/dbraw/zinc/82/38/22/508823822.db2.gz MENFLFHUCHMMGC-HZMBPMFUSA-N -1 1 357.819 2.999 20 30 FFEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000155445136 509002795 /nfs/dbraw/zinc/00/27/95/509002795.db2.gz CNDLPDDBLOQMDK-CYBMUJFWSA-N -1 1 363.402 2.719 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C#N)c2)c1 ZINC000125729356 509022480 /nfs/dbraw/zinc/02/24/80/509022480.db2.gz JXYPVPUJQLHMTN-AWEZNQCLSA-N -1 1 357.435 2.746 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc2C[C@H]1C ZINC000179024873 509230200 /nfs/dbraw/zinc/23/02/00/509230200.db2.gz SUCPWQMTLJYSSP-GFCCVEGCSA-N -1 1 369.446 2.965 20 30 FFEDMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190063659 509917639 /nfs/dbraw/zinc/91/76/39/509917639.db2.gz MNXUBEXDWSPIOB-GFCCVEGCSA-N -1 1 358.419 2.501 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000265366529 510015301 /nfs/dbraw/zinc/01/53/01/510015301.db2.gz NIMZHHZBBRCILQ-ZUOKHONESA-N -1 1 365.437 2.684 20 30 FFEDMM CCN1c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2CCC1=O ZINC000184023118 510091910 /nfs/dbraw/zinc/09/19/10/510091910.db2.gz QWFRTIYMNRDBAV-UHFFFAOYSA-N -1 1 355.419 2.658 20 30 FFEDMM CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190518979 510180271 /nfs/dbraw/zinc/18/02/71/510180271.db2.gz RPQQCFQDBODQSQ-MRXNPFEDSA-N -1 1 352.390 2.956 20 30 FFEDMM C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)N1CCC(C)CC1 ZINC000184220918 510201070 /nfs/dbraw/zinc/20/10/70/510201070.db2.gz WKTBPRPILUSSKI-CYBMUJFWSA-N -1 1 355.891 2.610 20 30 FFEDMM N#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000171595153 510242786 /nfs/dbraw/zinc/24/27/86/510242786.db2.gz DSIGYAWCHIPATH-UHFFFAOYSA-N -1 1 357.435 2.911 20 30 FFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000195198156 510712927 /nfs/dbraw/zinc/71/29/27/510712927.db2.gz NAPAVJWTDFLBAB-UHFFFAOYSA-N -1 1 355.419 2.942 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1[O-] ZINC000188532485 510813173 /nfs/dbraw/zinc/81/31/73/510813173.db2.gz BTLYPCJCVDSEMC-OAHLLOKOSA-N -1 1 369.808 2.843 20 30 FFEDMM CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1csc(=NC3CC3)[nH]1)C2 ZINC000330206489 510937991 /nfs/dbraw/zinc/93/79/91/510937991.db2.gz DHNCNBPNMVKMOY-LBPRGKRZSA-N -1 1 359.499 2.953 20 30 FFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(C#N)CCC(C(C)(C)C)CC2)o1 ZINC000330958734 511032576 /nfs/dbraw/zinc/03/25/76/511032576.db2.gz OLWZUXYGBLHTGI-UHFFFAOYSA-N -1 1 368.455 2.843 20 30 FFEDMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279826065 511230347 /nfs/dbraw/zinc/23/03/47/511230347.db2.gz BKEUFTQGGJOFDU-UHFFFAOYSA-N -1 1 371.462 2.939 20 30 FFEDMM CCOC(=O)C(=C([O-])CSc1cc(C#N)ccn1)c1nc(C)cs1 ZINC000298612640 511348315 /nfs/dbraw/zinc/34/83/15/511348315.db2.gz SFVDAZWIGRIKTG-CQSZACIVSA-N -1 1 361.448 2.726 20 30 FFEDMM C=CCN(CCc1ccco1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000272642033 511502427 /nfs/dbraw/zinc/50/24/27/511502427.db2.gz OKNQNBSKFNKKAU-UHFFFAOYSA-N -1 1 361.467 2.995 20 30 FFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccco1 ZINC000281828001 511981581 /nfs/dbraw/zinc/98/15/81/511981581.db2.gz VCCKVOOLCROWMM-CYBMUJFWSA-N -1 1 374.340 2.836 20 30 FFEDMM C#CCOc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000297000801 511982094 /nfs/dbraw/zinc/98/20/94/511982094.db2.gz LZWJOGPFMNXBJY-UHFFFAOYSA-N -1 1 353.422 2.730 20 30 FFEDMM Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000282065403 512064892 /nfs/dbraw/zinc/06/48/92/512064892.db2.gz UYUHZAHPHPSMSQ-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cn1 ZINC000373904481 512563304 /nfs/dbraw/zinc/56/33/04/512563304.db2.gz HXOXBJKXEZYNRW-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM C=C(CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC000368303025 512890977 /nfs/dbraw/zinc/89/09/77/512890977.db2.gz BBZNSJZGJJOUMR-UHFFFAOYSA-N -1 1 360.417 2.512 20 30 FFEDMM N#CC[C@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000397594788 512947287 /nfs/dbraw/zinc/94/72/87/512947287.db2.gz LDSGMGNEXJEXPO-SNVBAGLBSA-N -1 1 370.190 2.763 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000439624327 513153469 /nfs/dbraw/zinc/15/34/69/513153469.db2.gz VWYXPRUVIXPAGL-UHFFFAOYSA-N -1 1 373.434 2.952 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cn1 ZINC000447274046 513434433 /nfs/dbraw/zinc/43/44/33/513434433.db2.gz JILJSHVMDYHIFX-UHFFFAOYSA-N -1 1 361.276 2.634 20 30 FFEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(CC#N)c3)cc21 ZINC000451108222 513528383 /nfs/dbraw/zinc/52/83/83/513528383.db2.gz LIBQJJJAVRPJTG-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(CC#N)c3)cc2)CC1 ZINC000451110217 513530633 /nfs/dbraw/zinc/53/06/33/513530633.db2.gz DUTSXYGRDLACSS-UHFFFAOYSA-N -1 1 370.430 2.758 20 30 FFEDMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000435481256 513600751 /nfs/dbraw/zinc/60/07/51/513600751.db2.gz RMPHDJJJQFFUIE-UHFFFAOYSA-N -1 1 372.450 2.955 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)ccc1C#N ZINC000435758839 513679291 /nfs/dbraw/zinc/67/92/91/513679291.db2.gz HNCDUHCAVVTFFM-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM COCCN(CCCOc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442955100 513827825 /nfs/dbraw/zinc/82/78/25/513827825.db2.gz ITFDNIXKOISUKB-UHFFFAOYSA-N -1 1 372.396 2.961 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c1C#N ZINC000436474738 513865708 /nfs/dbraw/zinc/86/57/08/513865708.db2.gz FHGKJAQCRFTQCR-UHFFFAOYSA-N -1 1 357.370 2.592 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1[O-] ZINC000443125188 513878662 /nfs/dbraw/zinc/87/86/62/513878662.db2.gz DQTASFGYFVFMOK-UHFFFAOYSA-N -1 1 354.381 2.613 20 30 FFEDMM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443289213 513921716 /nfs/dbraw/zinc/92/17/16/513921716.db2.gz YQQFAPIYKNTYQC-IAGOWNOFSA-N -1 1 356.422 2.848 20 30 FFEDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)o1 ZINC000431625051 513948397 /nfs/dbraw/zinc/94/83/97/513948397.db2.gz XYBJNVISLRRCIK-CQSZACIVSA-N -1 1 362.407 2.780 20 30 FFEDMM Cc1cnn(C)c1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000420237405 514057808 /nfs/dbraw/zinc/05/78/08/514057808.db2.gz QNZGCTCJKTYXRM-LLVKDONJSA-N -1 1 367.434 2.808 20 30 FFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000416945101 514060175 /nfs/dbraw/zinc/06/01/75/514060175.db2.gz MMMVKZWRRNYVSR-HNNXBMFYSA-N -1 1 359.455 2.715 20 30 FFEDMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427212302 514151294 /nfs/dbraw/zinc/15/12/94/514151294.db2.gz KQAMYQMHHFRXSW-QHCPKHFHSA-N -1 1 366.439 2.685 20 30 FFEDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)cc2)n1 ZINC000427352145 514191472 /nfs/dbraw/zinc/19/14/72/514191472.db2.gz LMUJRRQDNFVYAU-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(OC(C)C)c1 ZINC000432469782 514203946 /nfs/dbraw/zinc/20/39/46/514203946.db2.gz QERYEYNOTFMRCC-UHFFFAOYSA-N -1 1 373.434 2.554 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000475823189 514822912 /nfs/dbraw/zinc/82/29/12/514822912.db2.gz ZAVJLGYRKUFGPE-UHFFFAOYSA-N -1 1 352.318 2.875 20 30 FFEDMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc2[nH]1 ZINC000475831625 514826719 /nfs/dbraw/zinc/82/67/19/514826719.db2.gz OWDQYJZVUCGTBA-UHFFFAOYSA-N -1 1 368.418 2.508 20 30 FFEDMM N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000476337991 515008982 /nfs/dbraw/zinc/00/89/82/515008982.db2.gz LRFMZQMYIBRMRW-MRXNPFEDSA-N -1 1 353.353 2.533 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000468572753 515420710 /nfs/dbraw/zinc/42/07/10/515420710.db2.gz ZVMRPAIZMQVFSX-OAHLLOKOSA-N -1 1 357.435 2.828 20 30 FFEDMM CCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2OC)c(C(=O)[O-])c1 ZINC000463530237 515535227 /nfs/dbraw/zinc/53/52/27/515535227.db2.gz BGSLABXVJHWEIX-UHFFFAOYSA-N -1 1 360.391 2.628 20 30 FFEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)CC2(C#N)CCCCC2)o1 ZINC000460467071 516159549 /nfs/dbraw/zinc/15/95/49/516159549.db2.gz FJJHAYPUZBQVOG-OAHLLOKOSA-N -1 1 354.472 2.923 20 30 FFEDMM C=CCn1c(Sc2nc3c(cnn3C)c(=O)[n-]2)nnc1-c1ccoc1C ZINC000539994051 516393832 /nfs/dbraw/zinc/39/38/32/516393832.db2.gz MGECUXOWZLRDFC-UHFFFAOYSA-N -1 1 369.410 2.566 20 30 FFEDMM CC#CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000535711248 516461219 /nfs/dbraw/zinc/46/12/19/516461219.db2.gz QOYHQAFGDJJELA-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000513427913 516620061 /nfs/dbraw/zinc/62/00/61/516620061.db2.gz YNDGRKXHHOWHRX-UHFFFAOYSA-N -1 1 374.418 2.609 20 30 FFEDMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000518842431 516795416 /nfs/dbraw/zinc/79/54/16/516795416.db2.gz GLGXXQAJRADSEC-UHFFFAOYSA-N -1 1 364.810 2.728 20 30 FFEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cn1 ZINC000541791134 517216784 /nfs/dbraw/zinc/21/67/84/517216784.db2.gz RFPQGLNWUXUXHR-UHFFFAOYSA-N -1 1 361.423 2.940 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c(F)c1 ZINC000548993905 517345977 /nfs/dbraw/zinc/34/59/77/517345977.db2.gz WJZMHJTYWJVZFH-CQSZACIVSA-N -1 1 372.393 2.538 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)ccc1F ZINC000549522534 517599845 /nfs/dbraw/zinc/59/98/45/517599845.db2.gz SXBMFMRNQNDATF-SNVBAGLBSA-N -1 1 365.333 2.736 20 30 FFEDMM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553895579 517956985 /nfs/dbraw/zinc/95/69/85/517956985.db2.gz PKKWCUYZWCUZTR-USXIJHARSA-N -1 1 360.435 2.781 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1Cl ZINC000530905157 518043740 /nfs/dbraw/zinc/04/37/40/518043740.db2.gz PTIFTKSCRRQSRV-UHFFFAOYSA-N -1 1 373.825 2.652 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OCc3ccccn3)c2)o1 ZINC000588110745 518728645 /nfs/dbraw/zinc/72/86/45/518728645.db2.gz BICHVOPXOMEFBD-UHFFFAOYSA-N -1 1 369.402 2.604 20 30 FFEDMM CCOC(=O)c1sc([N-]C(=O)c2cnc(COC)s2)c(C#N)c1C ZINC000588815922 518838004 /nfs/dbraw/zinc/83/80/04/518838004.db2.gz GOPMCVWDXVZMKQ-UHFFFAOYSA-N -1 1 365.436 2.960 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 ZINC000589172066 518940216 /nfs/dbraw/zinc/94/02/16/518940216.db2.gz VMIVWJONZAJQMG-GFCCVEGCSA-N -1 1 357.360 2.798 20 30 FFEDMM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000589175525 518940950 /nfs/dbraw/zinc/94/09/50/518940950.db2.gz OVTMIINCZHJHAL-UHFFFAOYSA-N -1 1 374.400 2.626 20 30 FFEDMM Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(OC[C@H]2CCOC2)c1 ZINC000589189155 518945978 /nfs/dbraw/zinc/94/59/78/518945978.db2.gz JHIQXEQZVJFDRB-HNNXBMFYSA-N -1 1 366.417 2.918 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)N(C)CC3)n1 ZINC000574834664 519356093 /nfs/dbraw/zinc/35/60/93/519356093.db2.gz MCYGVVQPITWXOE-CYBMUJFWSA-N -1 1 355.419 2.802 20 30 FFEDMM N#Cc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000572054326 519418678 /nfs/dbraw/zinc/41/86/78/519418678.db2.gz QZENBFZQLADDRL-UHFFFAOYSA-N -1 1 365.798 2.641 20 30 FFEDMM C=CCOCC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000591200260 519545007 /nfs/dbraw/zinc/54/50/07/519545007.db2.gz TULGBLBWPKECAC-UHFFFAOYSA-N -1 1 374.462 2.648 20 30 FFEDMM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000616718312 520103536 /nfs/dbraw/zinc/10/35/36/520103536.db2.gz CMMDSCXVAZULBD-HNNXBMFYSA-N -1 1 371.418 2.874 20 30 FFEDMM C=CCSc1ccccc1C(=O)N[C@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC000603152729 520115195 /nfs/dbraw/zinc/11/51/95/520115195.db2.gz FCLPCQRRGXVZTL-LLVKDONJSA-N -1 1 360.439 2.751 20 30 FFEDMM C=CCSc1ccccc1C(=O)N[C@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC000603152729 520115202 /nfs/dbraw/zinc/11/52/02/520115202.db2.gz FCLPCQRRGXVZTL-LLVKDONJSA-N -1 1 360.439 2.751 20 30 FFEDMM C=CCSc1ccccc1C(=O)N[C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000603152729 520115212 /nfs/dbraw/zinc/11/52/12/520115212.db2.gz FCLPCQRRGXVZTL-LLVKDONJSA-N -1 1 360.439 2.751 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)c1 ZINC000600313714 520200706 /nfs/dbraw/zinc/20/07/06/520200706.db2.gz ZGQZHPODLLGHNR-SFHVURJKSA-N -1 1 371.824 2.552 20 30 FFEDMM C=CCCSCCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000597971672 520356250 /nfs/dbraw/zinc/35/62/50/520356250.db2.gz LMVPWGOCAFTBJT-UHFFFAOYSA-N -1 1 358.467 2.521 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CS2 ZINC000610123108 520549050 /nfs/dbraw/zinc/54/90/50/520549050.db2.gz CVGDICMVXVDXMH-UHFFFAOYSA-N -1 1 359.432 2.712 20 30 FFEDMM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593198093 520820667 /nfs/dbraw/zinc/82/06/67/520820667.db2.gz BSYATQUDEGKYMX-UHFFFAOYSA-N -1 1 371.462 2.577 20 30 FFEDMM CCC(CC)(C(=O)[O-])C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593232382 520846417 /nfs/dbraw/zinc/84/64/17/520846417.db2.gz MUBZCQMEIIRJJV-UHFFFAOYSA-N -1 1 357.454 2.530 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000614297776 520897201 /nfs/dbraw/zinc/89/72/01/520897201.db2.gz AODPWKCQCXDDOT-UHFFFAOYSA-N -1 1 354.753 2.897 20 30 FFEDMM N#Cc1cccc(CN2CCC(N=c3[n-]c(C(F)(F)F)ns3)CC2)c1 ZINC000593516458 521044492 /nfs/dbraw/zinc/04/44/92/521044492.db2.gz ZTPMEWXWEWXWBZ-UHFFFAOYSA-N -1 1 367.400 2.927 20 30 FFEDMM COc1cc2[n-]cc(C(=O)NC3(C#N)CCCCC3)c(=O)c2c(OC)c1 ZINC000599243511 521105378 /nfs/dbraw/zinc/10/53/78/521105378.db2.gz BXTKSTRFOBSEED-UHFFFAOYSA-N -1 1 355.394 2.502 20 30 FFEDMM COc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1[N-]S(C)(=O)=O ZINC000596722798 521243644 /nfs/dbraw/zinc/24/36/44/521243644.db2.gz ACLUHPHYINYMEH-UHFFFAOYSA-N -1 1 365.455 2.869 20 30 FFEDMM N#C[C@]1(F)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000615608879 521469424 /nfs/dbraw/zinc/46/94/24/521469424.db2.gz QCDYEKXJOZGQER-GOSISDBHSA-N -1 1 373.409 2.565 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C)cc1C ZINC000619463881 521582035 /nfs/dbraw/zinc/58/20/35/521582035.db2.gz QEVRXZVHYKNAPR-UHFFFAOYSA-N -1 1 358.419 2.957 20 30 FFEDMM C=CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1OC ZINC000630458119 522860407 /nfs/dbraw/zinc/86/04/07/522860407.db2.gz QZEZYWQQTWWKLR-OAHLLOKOSA-N -1 1 365.817 2.562 20 30 FFEDMM CC(C)(C#N)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735572520 598833354 /nfs/dbraw/zinc/83/33/54/598833354.db2.gz XBDLAFWTFOEZGN-UHFFFAOYSA-N -1 1 352.423 2.761 20 30 FFEDMM Fc1cc(F)c(NN=Cc2ccc(-c3nn[n-]n3)o2)c(Br)c1 ZINC000822753299 599339882 /nfs/dbraw/zinc/33/98/82/599339882.db2.gz MFKZUOFWZSFQLA-UHFFFAOYSA-N -1 1 369.129 2.946 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](CC(=O)[O-])C2)c1C ZINC000818944425 597086439 /nfs/dbraw/zinc/08/64/39/597086439.db2.gz SYTXYZDTRQYSPQ-KRWDZBQOSA-N -1 1 357.454 2.737 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCOc3ccccc32)o1 ZINC000735939187 598641404 /nfs/dbraw/zinc/64/14/04/598641404.db2.gz KQGSYJBFRHMRPI-UHFFFAOYSA-N -1 1 353.386 2.967 20 30 FFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000736076386 600899310 /nfs/dbraw/zinc/89/93/10/600899310.db2.gz NJGFKNDXABRURJ-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM C=CCOc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000825702749 601837485 /nfs/dbraw/zinc/83/74/85/601837485.db2.gz XSNNHYCTGCTIQX-UHFFFAOYSA-N -1 1 368.798 2.799 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000827217333 601935672 /nfs/dbraw/zinc/93/56/72/601935672.db2.gz BXXNTSPVFRDFMJ-FZKQIMNGSA-N -1 1 361.467 2.816 20 30 FFEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(O[C@H]2CCOC2)c1 ZINC000832933395 602149886 /nfs/dbraw/zinc/14/98/86/602149886.db2.gz ADNIWIIJDKJIEJ-ICSRJNTNSA-N -1 1 366.417 2.950 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)C(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000830968712 604212640 /nfs/dbraw/zinc/21/26/40/604212640.db2.gz JCOJZQWGXDIEPN-HUUCEWRRSA-N -1 1 362.389 2.801 20 30 FFEDMM COc1cc2c(cc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1)O[C@@H](C)C2 ZINC000832102784 604778045 /nfs/dbraw/zinc/77/80/45/604778045.db2.gz IKBJXTDOKHXSOY-BUXKBTBVSA-N -1 1 352.390 2.806 20 30 FFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833367183 605187073 /nfs/dbraw/zinc/18/70/73/605187073.db2.gz RRUZSPCNSVNHJZ-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1Cc1ccc(C#N)cc1Br ZINC000833834548 605425540 /nfs/dbraw/zinc/42/55/40/605425540.db2.gz OPQVVFKMPUTFRP-JQWIXIFHSA-N -1 1 352.232 2.799 20 30 FFEDMM C=CCOc1ccc(CN2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])cc1Cl ZINC000833377975 605727319 /nfs/dbraw/zinc/72/73/19/605727319.db2.gz UBWDEQRTZQJLJE-DZGCQCFKSA-N -1 1 367.829 2.743 20 30 FFEDMM COc1ccc2c(c1)C(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)CC2 ZINC000821849985 606166279 /nfs/dbraw/zinc/16/62/79/606166279.db2.gz UOOGRBDSBPFOKW-UHFFFAOYSA-N -1 1 367.413 2.824 20 30 FFEDMM C[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000023416400 727845920 /nfs/dbraw/zinc/84/59/20/727845920.db2.gz NAPHCFUPUUNJEO-JTQLQIEISA-N -1 1 366.345 2.834 20 30 FFEDMM C[C@@H]1C[C@H]1c1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000746491427 735487778 /nfs/dbraw/zinc/48/77/78/735487778.db2.gz DAECZTPHSMWIFJ-IAQYHMDHSA-N -1 1 363.395 2.765 20 30 FFEDMM N#CCOc1ccc(CNC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000069486858 728198455 /nfs/dbraw/zinc/19/84/55/728198455.db2.gz WVOPQSNCROXUEN-UHFFFAOYSA-N -1 1 361.195 2.987 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000185356199 729347655 /nfs/dbraw/zinc/34/76/55/729347655.db2.gz ZRUAWNRTSCCXRW-OAHLLOKOSA-N -1 1 356.447 2.856 20 30 FFEDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCC#N)c1 ZINC000327140351 729792021 /nfs/dbraw/zinc/79/20/21/729792021.db2.gz CETIHAKERIBILS-UHFFFAOYSA-N -1 1 365.342 2.746 20 30 FFEDMM C#Cc1cccc(NC(=S)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000865276043 730934345 /nfs/dbraw/zinc/93/43/45/730934345.db2.gz RXQLOOPNYIIDDR-OAHLLOKOSA-N -1 1 355.385 2.508 20 30 FFEDMM C=CCC[C@@H](O)CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000652489701 731200899 /nfs/dbraw/zinc/20/08/99/731200899.db2.gz GLEBWYCNFYLNBZ-IUODEOHRSA-N -1 1 354.244 2.588 20 30 FFEDMM C[C@H](C#N)N(C(=O)c1ccc(I)cc1[O-])C1CC1 ZINC000869254556 731379874 /nfs/dbraw/zinc/37/98/74/731379874.db2.gz TTZJUWDHCDVDON-MRVPVSSYSA-N -1 1 356.163 2.513 20 30 FFEDMM Cn1nc2c(c1C=Nn1c(=S)[n-]nc1SCc1ccccc1)CCC2 ZINC000901156260 735751188 /nfs/dbraw/zinc/75/11/88/735751188.db2.gz ZTNOVIFXZDAGMJ-UHFFFAOYSA-N -1 1 370.507 2.964 20 30 FFEDMM CCOCc1nc(Cl)cc([N-]N=C2C(=O)Nc3c2c(F)ccc3C)n1 ZINC000901312820 735765770 /nfs/dbraw/zinc/76/57/70/735765770.db2.gz CCLDKSLVTLOEJC-UHFFFAOYSA-N -1 1 363.780 2.882 20 30 FFEDMM CN(C)C[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000905495105 736346946 /nfs/dbraw/zinc/34/69/46/736346946.db2.gz HFNBQYICNNDHDZ-ZDUSSCGKSA-N -1 1 360.202 2.501 20 30 FFEDMM CC(=NNC1CCS(=O)(=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766030319 737184908 /nfs/dbraw/zinc/18/49/08/737184908.db2.gz TUTNSINCMPNHHL-UHFFFAOYSA-N -1 1 351.255 2.590 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766200407 737206486 /nfs/dbraw/zinc/20/64/86/737206486.db2.gz LDTXONBSHRVZID-UHFFFAOYSA-N -1 1 367.224 2.505 20 30 FFEDMM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Br)cc1 ZINC000767223790 737302982 /nfs/dbraw/zinc/30/29/82/737302982.db2.gz VWGXXFQGAZIAIG-NSHDSACASA-N -1 1 359.170 2.680 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1[O-] ZINC000785609050 738981534 /nfs/dbraw/zinc/98/15/34/738981534.db2.gz XTRFMXRLRGMZMH-HNNXBMFYSA-N -1 1 350.296 2.746 20 30 FFEDMM COc1c([O-])c(C=NNC(=S)N[C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000773028674 737864595 /nfs/dbraw/zinc/86/45/95/737864595.db2.gz PPKQAEJVHMQCOL-PWSUYJOCSA-N -1 1 366.443 2.686 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(F)(F)F)cc1 ZINC000777745445 738317534 /nfs/dbraw/zinc/31/75/34/738317534.db2.gz XIZYLHZMOSVNKE-CQSZACIVSA-N -1 1 356.325 2.955 20 30 FFEDMM N#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000785382848 738958653 /nfs/dbraw/zinc/95/86/53/738958653.db2.gz ZDHLEDAYNPGWTL-UHFFFAOYSA-N -1 1 350.783 2.821 20 30 FFEDMM CCc1cccc2c1NC(=O)C2=NN=c1[n-]nc(-c2ccccn2)s1 ZINC000788027556 739198840 /nfs/dbraw/zinc/19/88/40/739198840.db2.gz RSSFUOKHVSXVPR-UHFFFAOYSA-N -1 1 350.407 2.931 20 30 FFEDMM [O-]c1ccc(Cl)c(F)c1C=NNC(=S)NCCc1ccccn1 ZINC000790165724 739423867 /nfs/dbraw/zinc/42/38/67/739423867.db2.gz RUBLPGYJEKSLAO-UHFFFAOYSA-N -1 1 352.822 2.620 20 30 FFEDMM COc1cncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000791773783 739601005 /nfs/dbraw/zinc/60/10/05/739601005.db2.gz OXIIZGCHGXBVOU-NSHDSACASA-N -1 1 365.176 2.753 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1CCCO1 ZINC000797832810 740278130 /nfs/dbraw/zinc/27/81/30/740278130.db2.gz NSEORTMEWXNVKH-NEPJUHHUSA-N -1 1 352.214 2.592 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000797842321 740279504 /nfs/dbraw/zinc/27/95/04/740279504.db2.gz YMUQOIGJGKHOAW-KOLCDFICSA-N -1 1 351.255 2.648 20 30 FFEDMM N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000803318636 740786427 /nfs/dbraw/zinc/78/64/27/740786427.db2.gz XSYINTAYUCFOKQ-UHFFFAOYSA-N -1 1 350.407 2.716 20 30 FFEDMM C=C(C)COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809826725 741349780 /nfs/dbraw/zinc/34/97/80/741349780.db2.gz PDGVHDFGPHLZES-UHFFFAOYSA-N -1 1 369.226 2.773 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)cc1 ZINC000812527596 741629703 /nfs/dbraw/zinc/62/97/03/741629703.db2.gz WWYRFBJNOLHZFS-OAHLLOKOSA-N -1 1 350.321 2.628 20 30 FFEDMM OCc1ccc(O)c(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1 ZINC000814767304 741863207 /nfs/dbraw/zinc/86/32/07/741863207.db2.gz GMDUKUNGKCBLEB-UHFFFAOYSA-N -1 1 372.475 2.939 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C ZINC000831374428 745521438 /nfs/dbraw/zinc/52/14/38/745521438.db2.gz FGZJMFLVMAAKTL-SECBINFHSA-N -1 1 351.211 2.838 20 30 FFEDMM CC(CCCc1cccnc1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000834964303 745928475 /nfs/dbraw/zinc/92/84/75/745928475.db2.gz ZIQASJHBQGIVKB-UHFFFAOYSA-N -1 1 362.411 2.667 20 30 FFEDMM CCOC(=O)c1sc([N-]C(=O)c2cc(OC)cnc2F)c(C#N)c1C ZINC000846770409 748541395 /nfs/dbraw/zinc/54/13/95/748541395.db2.gz CKDMWFVNCXNCQU-UHFFFAOYSA-N -1 1 363.370 2.900 20 30 FFEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575511691 949134593 /nfs/dbraw/zinc/13/45/93/949134593.db2.gz KVFHNUBLLCFKRT-LLVKDONJSA-N -1 1 367.438 2.702 20 30 FFEDMM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)c1)c1nnc2n1CCCCC2 ZINC000647194585 964694940 /nfs/dbraw/zinc/69/49/40/964694940.db2.gz FAENYYDXNSXDSW-INIZCTEOSA-N -1 1 364.384 2.819 20 30 FFEDMM C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908668166 981495180 /nfs/dbraw/zinc/49/51/80/981495180.db2.gz RJTRYYLUNCATMQ-ZDUSSCGKSA-N -1 1 372.473 2.898 20 30 FFEDMM C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000909220173 981657661 /nfs/dbraw/zinc/65/76/61/981657661.db2.gz OCJZGJRQJHKNNX-ZDUSSCGKSA-N -1 1 356.430 2.577 20 30 FFEDMM CCOc1cc(CN2CCC(C#N)(C(=O)[O-])CC2)ccc1OC(F)F ZINC001597031601 986450024 /nfs/dbraw/zinc/45/00/24/986450024.db2.gz MHEIEPTTZOECTD-UHFFFAOYSA-N -1 1 354.353 2.877 20 30 FFEDMM COC(=O)c1cc([O-])c(Br)c(OC2=C(C)O[C@H](C)C2=O)c1 ZINC001233902426 986741362 /nfs/dbraw/zinc/74/13/62/986741362.db2.gz BJTNPVKMUNNPSH-ZCFIWIBFSA-N -1 1 357.156 2.539 20 30 FFEDMM CC(=O)c1cc(-c2nc(-c3ccc(Br)cc3C#N)no2)n[n-]1 ZINC001212429780 986751617 /nfs/dbraw/zinc/75/16/17/986751617.db2.gz PEIISTOFSKUWBA-UHFFFAOYSA-N -1 1 358.155 2.963 20 30 FFEDMM CC(=O)c1cc(-c2nc(-c3ccc(Br)cc3C#N)no2)[n-]n1 ZINC001212429780 986751629 /nfs/dbraw/zinc/75/16/29/986751629.db2.gz PEIISTOFSKUWBA-UHFFFAOYSA-N -1 1 358.155 2.963 20 30 FFEDMM COc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc([N+](=O)[O-])c1O ZINC000916157170 989751388 /nfs/dbraw/zinc/75/13/88/989751388.db2.gz OEVZARJIHNMLEH-WAYWQWQTSA-N -1 1 373.317 2.669 20 30 FFEDMM CC(C)[C@H](C#N)N1CCN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001590952418 991012484 /nfs/dbraw/zinc/01/24/84/991012484.db2.gz DDRBSVZHFRYKHS-HOTGVXAUSA-N -1 1 369.387 2.997 20 30 FFEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(CCC)[nH]n2)C1=O ZINC000174942904 991116344 /nfs/dbraw/zinc/11/63/44/991116344.db2.gz LFQDRFUFKIQOAC-GOSISDBHSA-N -1 1 363.462 2.678 20 30 FFEDMM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000809666748 994576110 /nfs/dbraw/zinc/57/61/10/994576110.db2.gz KRNPMYONPAWSPB-SFHVURJKSA-N -1 1 365.389 2.516 20 30 FFEDMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000809728573 994581268 /nfs/dbraw/zinc/58/12/68/994581268.db2.gz BTOCKYAXOZNJJX-WFASDCNBSA-N -1 1 359.426 2.782 20 30 FFEDMM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC001593299800 994725764 /nfs/dbraw/zinc/72/57/64/994725764.db2.gz WLPXYYSAADPMJM-GFCCVEGCSA-N -1 1 355.350 2.781 20 30 FFEDMM Cc1cnc(C#N)c([N-][C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)n1 ZINC001170607318 994795486 /nfs/dbraw/zinc/79/54/86/994795486.db2.gz LZCZKGBACFHOKF-HXUWFJFHSA-N -1 1 368.400 2.884 20 30 FFEDMM CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001598678733 994891215 /nfs/dbraw/zinc/89/12/15/994891215.db2.gz ZTWSYQMEVXJVGC-UHFFFAOYSA-N -1 1 365.798 2.752 20 30 FFEDMM C=CCOc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810905367 994973661 /nfs/dbraw/zinc/97/36/61/994973661.db2.gz QXIBUPMTSCOWEC-CYBMUJFWSA-N -1 1 370.371 2.782 20 30 FFEDMM CC(=CN=Nc1nc2[nH][n-]cc-2c(=O)n1)Cc1ccccc1OC(F)F ZINC000811642393 995206224 /nfs/dbraw/zinc/20/62/24/995206224.db2.gz PIOMTLYISCBTIM-GPPDSXIPSA-N -1 1 360.324 2.535 20 30 FFEDMM COc1ccc(CCS(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)cc1 ZINC000811833022 995266289 /nfs/dbraw/zinc/26/62/89/995266289.db2.gz IUQNMQIKVOFMDQ-UHFFFAOYSA-N -1 1 373.478 2.926 20 30 FFEDMM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cccc(C(=O)[O-])c1C#N ZINC001598705590 995282407 /nfs/dbraw/zinc/28/24/07/995282407.db2.gz VYVBYUQWGVUGNK-RDTXWAMCSA-N -1 1 366.417 2.766 20 30 FFEDMM C=CCOCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000679473857 1016072336 /nfs/dbraw/zinc/07/23/36/1016072336.db2.gz CVTOHBOGVKTPAG-UHFFFAOYSA-N -1 1 372.643 2.723 20 30 FFEDMM CCCCCCOc1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000731155813 997717421 /nfs/dbraw/zinc/71/74/21/997717421.db2.gz UKQYLAKLUHDTCF-UHFFFAOYSA-N -1 1 354.414 2.837 20 30 FFEDMM O=C([O-])COc1ccc(CN=Nc2ncnc3sccc32)cc1[N+](=O)[O-] ZINC000731558989 998006264 /nfs/dbraw/zinc/00/62/64/998006264.db2.gz ONPJXWJKALVKLN-UHFFFAOYSA-N -1 1 373.350 2.509 20 30 FFEDMM COC(=O)c1ccc2c(c1)CCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001598991731 998743802 /nfs/dbraw/zinc/74/38/02/998743802.db2.gz UIOURLPLOUPESS-SFHVURJKSA-N -1 1 350.374 2.529 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C)CC#N)c2)cc1 ZINC000733712616 999057779 /nfs/dbraw/zinc/05/77/79/999057779.db2.gz WXITWNAVVXRBFU-CYBMUJFWSA-N -1 1 374.418 2.955 20 30 FFEDMM N#CC1(CNC(=O)c2ccc(I)cc2[O-])CCCC1 ZINC001144684129 1000196620 /nfs/dbraw/zinc/19/66/20/1000196620.db2.gz WXBZELQELGNWEB-UHFFFAOYSA-N -1 1 370.190 2.811 20 30 FFEDMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cccc(C#N)c1 ZINC000806018907 1000219580 /nfs/dbraw/zinc/21/95/80/1000219580.db2.gz MCYRXMHLVIKGIJ-UHFFFAOYSA-N -1 1 360.373 2.824 20 30 FFEDMM C#CCN(CC#CC)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000769914552 1000626136 /nfs/dbraw/zinc/62/61/36/1000626136.db2.gz STUDYKBDRBVNQZ-UHFFFAOYSA-N -1 1 368.311 2.602 20 30 FFEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1C#N ZINC000771904865 1001244308 /nfs/dbraw/zinc/24/43/08/1001244308.db2.gz LZJYXXHHHSAAQM-UHFFFAOYSA-N -1 1 372.402 2.817 20 30 FFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000785540467 1001451447 /nfs/dbraw/zinc/45/14/47/1001451447.db2.gz KLJUEMWVZQOCMC-CQSZACIVSA-N -1 1 351.406 2.591 20 30 FFEDMM C/C(C=NN=C1[N-]S(=O)(=O)c2ccccc21)=C\c1cccc([N+](=O)[O-])c1 ZINC000787152749 1001669385 /nfs/dbraw/zinc/66/93/85/1001669385.db2.gz ZVJYQDGEQNOEOT-KRGWXWIPSA-N -1 1 370.390 2.723 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCCNc3ccccc32)cc1 ZINC000774377638 1001882118 /nfs/dbraw/zinc/88/21/18/1001882118.db2.gz DBSATYIIAJFMNC-UHFFFAOYSA-N -1 1 374.422 2.624 20 30 FFEDMM N#Cc1cccc(-c2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)on2)c1 ZINC000789123198 1001974152 /nfs/dbraw/zinc/97/41/52/1001974152.db2.gz BXUWFPJQNALAHC-UHFFFAOYSA-N -1 1 364.313 2.664 20 30 FFEDMM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185610023 1003003987 /nfs/dbraw/zinc/00/39/87/1003003987.db2.gz RZKVYOKYCSHWQU-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(F)c(F)cc2Br)CCC1 ZINC001186730687 1003400368 /nfs/dbraw/zinc/40/03/68/1003400368.db2.gz JFELQYIXQLUGOF-UHFFFAOYSA-N -1 1 365.199 2.699 20 30 FFEDMM C#Cc1cnc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c(C#C)n1 ZINC001196308849 1003730959 /nfs/dbraw/zinc/73/09/59/1003730959.db2.gz BGTPINZPIXSQAC-UHFFFAOYSA-N -1 1 364.364 2.936 20 30 FFEDMM Cc1cnn(CCO)c1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309474 1003731082 /nfs/dbraw/zinc/73/10/82/1003731082.db2.gz XKHSILGRFPMMGT-UHFFFAOYSA-N -1 1 362.389 2.680 20 30 FFEDMM CC1(C)OCC(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)CO1 ZINC001196329817 1003744527 /nfs/dbraw/zinc/74/45/27/1003744527.db2.gz HIHIRQPGPONYFN-UHFFFAOYSA-N -1 1 352.390 2.812 20 30 FFEDMM COC(=O)CCCCS(=O)(=O)[N-]c1ccc(C#N)cc1C(F)(F)F ZINC001196952364 1004021991 /nfs/dbraw/zinc/02/19/91/1004021991.db2.gz OJDGUHYUZMRKLE-UHFFFAOYSA-N -1 1 364.345 2.662 20 30 FFEDMM N#Cc1cccc(OCCC[N-]S(=O)(=O)C(Cl)(Cl)Cl)c1 ZINC001192053761 1004045966 /nfs/dbraw/zinc/04/59/66/1004045966.db2.gz BXQQMWOCBZDEKW-UHFFFAOYSA-N -1 1 357.646 2.574 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)o1 ZINC001192677639 1004235737 /nfs/dbraw/zinc/23/57/37/1004235737.db2.gz RCMNCKIBLFLUJP-DJKKODMXSA-N -1 1 365.374 2.938 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)Nc3cccc(OCCCC#N)c3)ccnc1-2 ZINC000806493419 1004332871 /nfs/dbraw/zinc/33/28/71/1004332871.db2.gz VTUZZGDSSBXMJV-UHFFFAOYSA-N -1 1 350.382 2.668 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC001193112950 1004377937 /nfs/dbraw/zinc/37/79/37/1004377937.db2.gz WUEOEMGWEHHDOI-JTQLQIEISA-N -1 1 358.345 2.853 20 30 FFEDMM Cc1ccnc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2Br)c1 ZINC001198005874 1004440717 /nfs/dbraw/zinc/44/07/17/1004440717.db2.gz NTUYCKDIYUJVRP-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000747395136 1004575494 /nfs/dbraw/zinc/57/54/94/1004575494.db2.gz FUBXVPPCOWRYPO-CYBMUJFWSA-N -1 1 372.450 2.824 20 30 FFEDMM N#Cc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC001194001366 1004637424 /nfs/dbraw/zinc/63/74/24/1004637424.db2.gz CMOYUQHWZNMPKR-UHFFFAOYSA-N -1 1 372.736 2.989 20 30 FFEDMM C[Si](C)(C)C#Cc1ncccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739767 1004717920 /nfs/dbraw/zinc/71/79/20/1004717920.db2.gz ZFRPBPPNWKHNHL-UHFFFAOYSA-N -1 1 374.494 2.810 20 30 FFEDMM Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)N([O-])C(=O)C1=CC=CC1 ZINC001199693025 1005007326 /nfs/dbraw/zinc/00/73/26/1005007326.db2.gz JBGABVIMDSFYJB-UHFFFAOYSA-N -1 1 363.736 2.627 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)C(=O)N3)cc1C#N ZINC001201316796 1005198690 /nfs/dbraw/zinc/19/86/90/1005198690.db2.gz DLUZQVOESZYMMR-UHFFFAOYSA-N -1 1 371.418 2.777 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CC3)ccc2C)cc1C#N ZINC001201323391 1005199838 /nfs/dbraw/zinc/19/98/38/1005199838.db2.gz CEGCWKAYQAWLTK-UHFFFAOYSA-N -1 1 369.446 2.868 20 30 FFEDMM N#Cc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187579419 1006162429 /nfs/dbraw/zinc/16/24/29/1006162429.db2.gz ZQWKSLNFLPMMCS-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853990241 1006618861 /nfs/dbraw/zinc/61/88/61/1006618861.db2.gz ZCMPHRKRNRZIIK-ABAIWWIYSA-N -1 1 362.355 3.000 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189056446 1006875549 /nfs/dbraw/zinc/87/55/49/1006875549.db2.gz ZKRMSAZKQHOQIE-UHFFFAOYSA-N -1 1 352.200 2.809 20 30 FFEDMM C[Si](C)(C)C#Cc1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001189176659 1006954473 /nfs/dbraw/zinc/95/44/73/1006954473.db2.gz GSQRROLOWKRCHF-UHFFFAOYSA-N -1 1 367.477 2.939 20 30 FFEDMM CC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1C#N ZINC001190271901 1007552714 /nfs/dbraw/zinc/55/27/14/1007552714.db2.gz ZYBJJTCZKQFHOG-UHFFFAOYSA-N -1 1 373.372 2.932 20 30 FFEDMM C=CCC1(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)CC2(F)F)CC1 ZINC001190845656 1007805886 /nfs/dbraw/zinc/80/58/86/1007805886.db2.gz OPUOMFWBJNIMOR-MRXNPFEDSA-N -1 1 370.465 2.924 20 30 FFEDMM CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC001136249932 1008204523 /nfs/dbraw/zinc/20/45/23/1008204523.db2.gz JFENJEHPTVQQQR-ZDUSSCGKSA-N -1 1 351.406 2.722 20 30 FFEDMM C#C[C@H](CCC)NC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000820666663 1008358429 /nfs/dbraw/zinc/35/84/29/1008358429.db2.gz LTNISECMVLQCOB-ZIAGYGMSSA-N -1 1 367.371 2.608 20 30 FFEDMM N#C[C@@H](C(=O)CC1CCOCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000117531694 1009031969 /nfs/dbraw/zinc/03/19/69/1009031969.db2.gz DXCTYCQIEBUVPN-ZDUSSCGKSA-N -1 1 371.462 2.856 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)Nc2ccc(C#N)cc2[O-])C1 ZINC001178891162 1009169708 /nfs/dbraw/zinc/16/97/08/1009169708.db2.gz WSKIEHLKNJHTEF-CHWSQXEVSA-N -1 1 363.389 2.797 20 30 FFEDMM C[C@@H]1CCN(C(=O)Nc2cccc(CC#N)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000823718816 1009200865 /nfs/dbraw/zinc/20/08/65/1009200865.db2.gz LBCDGEAJKSWHIF-RISCZKNCSA-N -1 1 368.359 2.673 20 30 FFEDMM C[C@@]1(C(=O)N([O-])C(=N)c2ccccc2N)CC(c2ccc(F)cc2)=NO1 ZINC001180457367 1009702452 /nfs/dbraw/zinc/70/24/52/1009702452.db2.gz XLFQXJPTYZQCKP-SFHVURJKSA-N -1 1 356.357 2.534 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)C(F)(F)c2ccccc2C#N)[n-]c1=O ZINC000889787633 1010117281 /nfs/dbraw/zinc/11/72/81/1010117281.db2.gz YHPNSANKIJPCDB-CYBMUJFWSA-N -1 1 374.347 2.518 20 30 FFEDMM N#Cc1cncc(N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)n1 ZINC000866143911 1010938160 /nfs/dbraw/zinc/93/81/60/1010938160.db2.gz QXVXTLJBWLQNOI-NSHDSACASA-N -1 1 361.327 2.652 20 30 FFEDMM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1cccc([O-])c1F)CC2 ZINC001274916762 1011754230 /nfs/dbraw/zinc/75/42/30/1011754230.db2.gz YTRXGOJODAOMBE-UHFFFAOYSA-N -1 1 360.429 2.952 20 30 FFEDMM N#C[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000928229103 1018902309 /nfs/dbraw/zinc/90/23/09/1018902309.db2.gz JEPJYSMWBUAEFX-OAHLLOKOSA-N -1 1 369.446 2.863 20 30 FFEDMM CCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(CC#N)c3)cc21 ZINC000901932448 1019611938 /nfs/dbraw/zinc/61/19/38/1019611938.db2.gz SAAOXVAHYUOBBP-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C2CC2)cc1 ZINC000901966095 1019657437 /nfs/dbraw/zinc/65/74/37/1019657437.db2.gz LCKUGAQTANBNOC-UHFFFAOYSA-N -1 1 369.446 2.938 20 30 FFEDMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCC#N)c2)cc1 ZINC000490674028 1020465341 /nfs/dbraw/zinc/46/53/41/1020465341.db2.gz RLZCZXCKBMRRJN-UHFFFAOYSA-N -1 1 373.434 2.530 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NN2C(=S)N=NC2c2ccccc2F)c1 ZINC000726736200 1020513959 /nfs/dbraw/zinc/51/39/59/1020513959.db2.gz DIEUJQLRIRLYTC-UHFFFAOYSA-N -1 1 372.381 2.747 20 30 FFEDMM C=CCCCN(CC)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC001119761774 1022982838 /nfs/dbraw/zinc/98/28/38/1022982838.db2.gz YILLKGGVSGZSON-UHFFFAOYSA-N -1 1 355.460 2.887 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001122490317 1023302173 /nfs/dbraw/zinc/30/21/73/1023302173.db2.gz JOHZFRJZGUUKNM-AWEZNQCLSA-N -1 1 369.807 2.918 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCOC(C)(C)C1 ZINC001122524480 1023318210 /nfs/dbraw/zinc/31/82/10/1023318210.db2.gz BSKDBDJQVUBKLQ-UHFFFAOYSA-N -1 1 363.849 2.890 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)Cc1ccon1 ZINC001122612456 1023369214 /nfs/dbraw/zinc/36/92/14/1023369214.db2.gz OQZPQCFYAGKSMN-UHFFFAOYSA-N -1 1 360.805 2.900 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)[C@H]1CCSC1 ZINC001121677443 1023920831 /nfs/dbraw/zinc/92/08/31/1023920831.db2.gz WCUBBZACPXWFPB-JTQLQIEISA-N -1 1 351.863 2.827 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NCC(=O)Cc2ccccc2)n1 ZINC001159162831 1027293103 /nfs/dbraw/zinc/29/31/03/1027293103.db2.gz VSNMYNHBFCAZHW-GIJQJNRQSA-N -1 1 350.831 2.884 20 30 FFEDMM CN1CCN(C(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)[C@@H](c2ccccc2)C1 ZINC001154552577 1028349350 /nfs/dbraw/zinc/34/93/50/1028349350.db2.gz XJAZFZZLLCQUOP-HXUWFJFHSA-N -1 1 372.428 2.529 20 30 FFEDMM CN(Cc1cnc(Cl)s1)C(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154553273 1028351794 /nfs/dbraw/zinc/35/17/94/1028351794.db2.gz QFKWTRDUGRDVHP-UHFFFAOYSA-N -1 1 358.810 2.782 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1nc2[nH]ccc2cc1Br ZINC001154928928 1028515136 /nfs/dbraw/zinc/51/51/36/1028515136.db2.gz IPMPCXXCQZZMPY-UHFFFAOYSA-N -1 1 374.198 2.716 20 30 FFEDMM C[C@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1cccc(C#N)c1 ZINC001155231876 1028637957 /nfs/dbraw/zinc/63/79/57/1028637957.db2.gz LNFNOGKRYZLALA-JTQLQIEISA-N -1 1 350.330 2.567 20 30 FFEDMM C#CCC1(NC(=O)c2ccc(I)cc2[O-])CCC1 ZINC001156396088 1029179863 /nfs/dbraw/zinc/17/98/63/1029179863.db2.gz OKLWOUKRUKKJJA-UHFFFAOYSA-N -1 1 355.175 2.673 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NCCC(=O)Nc2nccs2)n1 ZINC001158068958 1029725746 /nfs/dbraw/zinc/72/57/46/1029725746.db2.gz CLLILEODIMMENF-OMCISZLKSA-N -1 1 372.863 2.557 20 30 FFEDMM N#Cc1cccc(OCCCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000783634801 1030201873 /nfs/dbraw/zinc/20/18/73/1030201873.db2.gz WXBBLHSYRJGUMQ-UHFFFAOYSA-N -1 1 369.373 2.945 20 30 FFEDMM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)o1 ZINC000796755235 1030906272 /nfs/dbraw/zinc/90/62/72/1030906272.db2.gz JUDWQPYADGTRAO-CYBMUJFWSA-N -1 1 369.377 2.668 20 30 FFEDMM C=C[C@@H]1O[C@@H](Oc2cc(C(F)(F)F)nc(=S)[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001225850249 1034426657 /nfs/dbraw/zinc/42/66/57/1034426657.db2.gz HWYVONRYANQESH-JGBZZBSPSA-N -1 1 364.345 2.594 20 30 FFEDMM COc1cc(CC(C)=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)ccn1 ZINC000834956491 1035481449 /nfs/dbraw/zinc/48/14/49/1035481449.db2.gz AQBGJAVPEKVXQI-UHFFFAOYSA-N -1 1 369.429 2.721 20 30 FFEDMM C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001140494916 1035502166 /nfs/dbraw/zinc/50/21/66/1035502166.db2.gz NWEZJNGRGHEGBP-XLIONFOSSA-N -1 1 362.470 2.903 20 30 FFEDMM N#Cc1c([O-])ccc(OC2CCN(c3ccc(Cl)nn3)CC2)c1C#N ZINC001227618796 1035640095 /nfs/dbraw/zinc/64/00/95/1035640095.db2.gz NCVLWMNXWWZVME-UHFFFAOYSA-N -1 1 355.785 2.627 20 30 FFEDMM Cn1cc2c(n1)CN(Cc1ccc(C#N)cc1[O-])C[C@@H]2COCC1CC1 ZINC001233385076 1036583894 /nfs/dbraw/zinc/58/38/94/1036583894.db2.gz TZDQAILCEPILGF-QGZVFWFLSA-N -1 1 352.438 2.523 20 30 FFEDMM C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1ccc(C#N)cc1[O-] ZINC001233384896 1036584679 /nfs/dbraw/zinc/58/46/79/1036584679.db2.gz MLFQAZYBHFGIAG-CQSZACIVSA-N -1 1 352.438 2.964 20 30 FFEDMM O=C(/C=C/c1ccc(O)c(O)c1)c1ccc([O-])cc1O[C@H]1CCCOC1=O ZINC001229586763 1036763772 /nfs/dbraw/zinc/76/37/72/1036763772.db2.gz LJPJFEZKNKDQDW-JGIVAVPZSA-N -1 1 370.357 2.784 20 30 FFEDMM CC(C)(C)OC(=O)N1CCCO[C@@H](COc2ccccc2C=N[O-])C1 ZINC001234819234 1037191838 /nfs/dbraw/zinc/19/18/38/1037191838.db2.gz IPJKZAFKJRLKGW-OAHLLOKOSA-N -1 1 350.415 2.900 20 30 FFEDMM CCC[C@H](C)CC[C@@H](C)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001257476398 1038822549 /nfs/dbraw/zinc/82/25/49/1038822549.db2.gz PXDZILQZJXJTPP-MJBXVCDLSA-N -1 1 356.469 2.607 20 30 FFEDMM CCC[C@H](C)CC[C@@H](C)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001257476398 1038822579 /nfs/dbraw/zinc/82/25/79/1038822579.db2.gz PXDZILQZJXJTPP-MJBXVCDLSA-N -1 1 356.469 2.607 20 30 FFEDMM Cc1[nH]c2ccc(C(=O)N=C3[N-]S(=O)(=O)c4ccccc43)cc2c1C ZINC001251141260 1038964191 /nfs/dbraw/zinc/96/41/91/1038964191.db2.gz ZSRNWJLCAOVMQH-UHFFFAOYSA-N -1 1 353.403 2.664 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc(Br)n1 ZINC001258039134 1039138161 /nfs/dbraw/zinc/13/81/61/1039138161.db2.gz KHLRYWPWRGSHAJ-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC001259112754 1039721516 /nfs/dbraw/zinc/72/15/16/1039721516.db2.gz IISFDTBDRUUNCF-UHFFFAOYSA-N -1 1 367.789 2.511 20 30 FFEDMM COC(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259419644 1039989962 /nfs/dbraw/zinc/98/99/62/1039989962.db2.gz LZLLLKGIXDPMNY-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM COc1ncc(Nc2sc3c(c2C#N)CCC3)cc1[N-]S(C)(=O)=O ZINC001216152280 1041963842 /nfs/dbraw/zinc/96/38/42/1041963842.db2.gz RUGRIHOIJDLGEB-UHFFFAOYSA-N -1 1 364.452 2.627 20 30 FFEDMM COc1ncc(Nc2cc(C#N)ccc2Cl)cc1[N-]S(C)(=O)=O ZINC001216155945 1041964763 /nfs/dbraw/zinc/96/47/63/1041964763.db2.gz DMVAKTIYYUUGIC-UHFFFAOYSA-N -1 1 352.803 2.730 20 30 FFEDMM Cn1ccnc1C(C#N)=C([O-])c1cnn2c1nc(C1CC1)cc2C(F)F ZINC001263331987 1042245290 /nfs/dbraw/zinc/24/52/90/1042245290.db2.gz DGGTVSYPPZLPLB-JTQLQIEISA-N -1 1 356.336 2.768 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1N1CCOC1=O ZINC001318909790 1044934393 /nfs/dbraw/zinc/93/43/93/1044934393.db2.gz PZKZNGJXJPKRMI-UHFFFAOYSA-N -1 1 371.418 2.819 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc(Cl)sc1Cl ZINC001318165927 1045232048 /nfs/dbraw/zinc/23/20/48/1045232048.db2.gz MEHQVYGNSCPNKM-UHFFFAOYSA-N -1 1 361.231 2.934 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1[O-] ZINC001320923889 1045495032 /nfs/dbraw/zinc/49/50/32/1045495032.db2.gz UGBVZBFLNQKBLH-IBGZPJMESA-N -1 1 361.401 2.852 20 30 FFEDMM CC(C)=CCOc1cccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC001323308310 1045539612 /nfs/dbraw/zinc/53/96/12/1045539612.db2.gz HLFMSTRGEUWQLI-UHFFFAOYSA-N -1 1 370.430 2.911 20 30 FFEDMM N#Cc1cccc(OCCCCC(=O)OCC(=O)c2ccc([O-])cc2O)c1 ZINC001327809807 1048050893 /nfs/dbraw/zinc/05/08/93/1048050893.db2.gz ABIKCMUTKSOPTC-UHFFFAOYSA-N -1 1 369.373 2.945 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H](CC#N)C1 ZINC001328779461 1048463024 /nfs/dbraw/zinc/46/30/24/1048463024.db2.gz XUNDGCOKXCOANB-OAHLLOKOSA-N -1 1 365.437 2.638 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC001341853592 1050465920 /nfs/dbraw/zinc/46/59/20/1050465920.db2.gz NLEZWQZMKICECK-GOSISDBHSA-N -1 1 350.430 2.550 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC001341853592 1050465924 /nfs/dbraw/zinc/46/59/24/1050465924.db2.gz NLEZWQZMKICECK-GOSISDBHSA-N -1 1 350.430 2.550 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001341869087 1050477976 /nfs/dbraw/zinc/47/79/76/1050477976.db2.gz WKZJVJYHCDAFNK-NSHDSACASA-N -1 1 365.869 2.544 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001340224878 1050632910 /nfs/dbraw/zinc/63/29/10/1050632910.db2.gz ZUEYBKLPCAKKGU-QWHCGFSZSA-N -1 1 354.458 2.986 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)Cc1ccco1 ZINC001340346820 1050742592 /nfs/dbraw/zinc/74/25/92/1050742592.db2.gz XULHTIZQXDQVRC-UHFFFAOYSA-N -1 1 352.398 2.734 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1ccccc1Cl ZINC001340728013 1051087205 /nfs/dbraw/zinc/08/72/05/1051087205.db2.gz FGHPUTNHBWIMII-ZDUSSCGKSA-N -1 1 356.821 2.639 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1ccccc1Cl ZINC001340728013 1051087214 /nfs/dbraw/zinc/08/72/14/1051087214.db2.gz FGHPUTNHBWIMII-ZDUSSCGKSA-N -1 1 356.821 2.639 20 30 FFEDMM C=CCC[C@H]1CCCN1c1nnc(-c2nnn[n-]2)n1Cc1cccs1 ZINC001343549708 1052300028 /nfs/dbraw/zinc/30/00/28/1052300028.db2.gz XGHNDSXBMONKAW-LBPRGKRZSA-N -1 1 356.459 2.503 20 30 FFEDMM C=CCC[C@H]1CCCN1c1nnc(-c2nn[n-]n2)n1Cc1cccs1 ZINC001343549708 1052300033 /nfs/dbraw/zinc/30/00/33/1052300033.db2.gz XGHNDSXBMONKAW-LBPRGKRZSA-N -1 1 356.459 2.503 20 30 FFEDMM C=C(C)Cn1c([C@@H](C)O)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001343554716 1052302422 /nfs/dbraw/zinc/30/24/22/1052302422.db2.gz IYRNYUHQGSUUFO-CQSZACIVSA-N -1 1 370.453 2.712 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC001343554986 1052302541 /nfs/dbraw/zinc/30/25/41/1052302541.db2.gz TYJITPIWVAPXLV-RDJZCZTQSA-N -1 1 369.421 2.620 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001343567340 1052310738 /nfs/dbraw/zinc/31/07/38/1052310738.db2.gz PMKZVVDBCCWURH-MRXNPFEDSA-N -1 1 364.457 2.608 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001343567340 1052310744 /nfs/dbraw/zinc/31/07/44/1052310744.db2.gz PMKZVVDBCCWURH-MRXNPFEDSA-N -1 1 364.457 2.608 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001345994373 1052699549 /nfs/dbraw/zinc/69/95/49/1052699549.db2.gz PVVRCRCDFCUCRK-AOOOYVTPSA-N -1 1 353.883 2.623 20 30 FFEDMM C=CCC[C@@H]1CCCN1c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCCCO1 ZINC001347162610 1053679960 /nfs/dbraw/zinc/67/99/60/1053679960.db2.gz XPWMKRNQCDJPMZ-CABCVRRESA-N -1 1 372.473 2.878 20 30 FFEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1F ZINC001347397037 1053935373 /nfs/dbraw/zinc/93/53/73/1053935373.db2.gz BMHKNUCSJALGOW-UHFFFAOYSA-N -1 1 351.334 2.596 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001356026899 1055226486 /nfs/dbraw/zinc/22/64/86/1055226486.db2.gz AUJUTXXZJJWXLF-HNNXBMFYSA-N -1 1 372.473 2.593 20 30 FFEDMM C=CC[C@H](NCc1ncc(Br)cc1Br)C(=O)[O-] ZINC001350602344 1055855740 /nfs/dbraw/zinc/85/57/40/1055855740.db2.gz XQJICZSXEZOOCE-VIFPVBQESA-N -1 1 364.037 2.726 20 30 FFEDMM C#CCSCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001544132653 1071601782 /nfs/dbraw/zinc/60/17/82/1071601782.db2.gz ACJWNIFZEAFQKT-UHFFFAOYSA-N -1 1 365.252 2.799 20 30 FFEDMM C=C[C@@H](C)ONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001300211348 1056124057 /nfs/dbraw/zinc/12/40/57/1056124057.db2.gz UDKJBJSYJIWZPA-GFCCVEGCSA-N -1 1 364.398 2.862 20 30 FFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1scc2c1OCCO2 ZINC000847623745 1056196524 /nfs/dbraw/zinc/19/65/24/1056196524.db2.gz FASMFALBLJHCJM-NSHDSACASA-N -1 1 372.402 2.879 20 30 FFEDMM C=CCN(CC=C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CC1CC1 ZINC001518260683 1058320066 /nfs/dbraw/zinc/32/00/66/1058320066.db2.gz VPIWBPWIEHZSCN-UHFFFAOYSA-N -1 1 352.442 2.907 20 30 FFEDMM CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(F)c([O-])c2)C1=O ZINC001448744516 1058814217 /nfs/dbraw/zinc/81/42/17/1058814217.db2.gz FMPJICMLNZCWMV-SFHVURJKSA-N -1 1 365.405 2.847 20 30 FFEDMM Cn1c(Cl)cnc1C(C#N)=C([O-])c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001520030347 1059325626 /nfs/dbraw/zinc/32/56/26/1059325626.db2.gz WEWIQWHHAQDBST-NSHDSACASA-N -1 1 360.801 2.914 20 30 FFEDMM COc1ccc(Cl)c(-c2cc(C(=O)[N-]c3nn(C)cc3C#N)on2)c1 ZINC001354902020 1059620796 /nfs/dbraw/zinc/62/07/96/1059620796.db2.gz RYAJKSJFRRQVAI-UHFFFAOYSA-N -1 1 357.757 2.861 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N1CC[C@@H](C)C1 ZINC001520360138 1059638411 /nfs/dbraw/zinc/63/84/11/1059638411.db2.gz BRQORGZDBAGNAT-CYBMUJFWSA-N -1 1 363.425 2.535 20 30 FFEDMM C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001515467449 1059672489 /nfs/dbraw/zinc/67/24/89/1059672489.db2.gz MRVNKSRHZPFCID-MJBXVCDLSA-N -1 1 370.457 2.823 20 30 FFEDMM C=CCCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)OC ZINC001475687322 1061207444 /nfs/dbraw/zinc/20/74/44/1061207444.db2.gz DRHBLEMXOMBVRI-JTQLQIEISA-N -1 1 367.254 2.565 20 30 FFEDMM COc1cnc(C2(NC(=O)Nc3cc(C#N)ccc3C)CCCC2)[n-]c1=O ZINC001476232153 1061372926 /nfs/dbraw/zinc/37/29/26/1061372926.db2.gz IGZFZYHPHCJYIX-UHFFFAOYSA-N -1 1 367.409 2.962 20 30 FFEDMM N#Cc1ccc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)o1 ZINC001531551946 1062799268 /nfs/dbraw/zinc/79/92/68/1062799268.db2.gz NGMQQTPHVCRCFK-UHFFFAOYSA-N -1 1 358.155 2.951 20 30 FFEDMM C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001574669650 1078055158 /nfs/dbraw/zinc/05/51/58/1078055158.db2.gz LRMFZXDVHUISCA-SIFCLUCFSA-N -1 1 357.454 2.500 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)cc1[O-] ZINC001471328761 1064641213 /nfs/dbraw/zinc/64/12/13/1064641213.db2.gz ZEQIDQFHZPIWOU-QAQDUYKDSA-N -1 1 350.374 2.516 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2nc(C#N)cs2)c([O-])c1 ZINC001472145472 1064952660 /nfs/dbraw/zinc/95/26/60/1064952660.db2.gz IEUIHWWOKKHDQB-UHFFFAOYSA-N -1 1 374.422 2.997 20 30 FFEDMM CCCCCCCC[C@H](CO)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001577505217 1078370086 /nfs/dbraw/zinc/37/00/86/1078370086.db2.gz HZPXRKITQULEDF-CYBMUJFWSA-N -1 1 363.437 2.847 20 30 FFEDMM CCCCCCCC[C@H](CO)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001577505217 1078370090 /nfs/dbraw/zinc/37/00/90/1078370090.db2.gz HZPXRKITQULEDF-CYBMUJFWSA-N -1 1 363.437 2.847 20 30 FFEDMM N#Cc1ccc(OCCCn2cc(-c3nn[n-]n3)c3ccccc3c2=O)cc1 ZINC001581873418 1079010966 /nfs/dbraw/zinc/01/09/66/1079010966.db2.gz AIOPRYZUQADMFG-UHFFFAOYSA-N -1 1 372.388 2.522 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001573736330 1077777869 /nfs/dbraw/zinc/77/78/69/1077777869.db2.gz SHDFTLRXXHXFRS-KEYYUXOJSA-N -1 1 361.417 2.503 20 30 FFEDMM N#CCOc1cccc(CNC(=O)c2c([O-])cnc3c(F)cccc32)c1 ZINC001585948045 1079516819 /nfs/dbraw/zinc/51/68/19/1079516819.db2.gz AGLDTFICTHWGCI-UHFFFAOYSA-N -1 1 351.337 2.912 20 30 FFEDMM C=C(C)CC[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588420038 1080022129 /nfs/dbraw/zinc/02/21/29/1080022129.db2.gz ZFXVEIJAHMGITB-LLVKDONJSA-N -1 1 359.430 2.805 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001588438212 1080028081 /nfs/dbraw/zinc/02/80/81/1080028081.db2.gz NMCYCZIWSXDSPS-RYUDHWBXSA-N -1 1 354.418 2.529 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001588438212 1080028088 /nfs/dbraw/zinc/02/80/88/1080028088.db2.gz NMCYCZIWSXDSPS-RYUDHWBXSA-N -1 1 354.418 2.529 20 30 FFEDMM C=CCCCC(=O)N[C@H](C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588585972 1080109722 /nfs/dbraw/zinc/10/97/22/1080109722.db2.gz AKIBUZNBEZCZRO-RKDXNWHRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCN(CC=C)c1nnc(C2CCC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001588631373 1080128326 /nfs/dbraw/zinc/12/83/26/1080128326.db2.gz BQCQJPJFMVRSCM-UHFFFAOYSA-N -1 1 366.429 2.545 20 30 FFEDMM C=CCN(CC=C)c1nnc(C2CCC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001588631373 1080128331 /nfs/dbraw/zinc/12/83/31/1080128331.db2.gz BQCQJPJFMVRSCM-UHFFFAOYSA-N -1 1 366.429 2.545 20 30 FFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588635798 1080130349 /nfs/dbraw/zinc/13/03/49/1080130349.db2.gz WBCJIRIDSOTTHH-UHFFFAOYSA-N -1 1 374.857 2.734 20 30 FFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588635798 1080130358 /nfs/dbraw/zinc/13/03/58/1080130358.db2.gz WBCJIRIDSOTTHH-UHFFFAOYSA-N -1 1 374.857 2.734 20 30 FFEDMM C=CCN(Cc1ccccc1F)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001588653377 1080143540 /nfs/dbraw/zinc/14/35/40/1080143540.db2.gz FJWXAHKSAJPCNN-UHFFFAOYSA-N -1 1 353.361 2.621 20 30 FFEDMM C=CCN(Cc1ccccc1F)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001588653377 1080143545 /nfs/dbraw/zinc/14/35/45/1080143545.db2.gz FJWXAHKSAJPCNN-UHFFFAOYSA-N -1 1 353.361 2.621 20 30 FFEDMM C=CCOc1ccccc1CNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588689742 1080156668 /nfs/dbraw/zinc/15/66/68/1080156668.db2.gz LQEXHZAQNKQPDE-UHFFFAOYSA-N -1 1 371.426 2.518 20 30 FFEDMM C=CCOc1ccccc1CNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588689742 1080156672 /nfs/dbraw/zinc/15/66/72/1080156672.db2.gz LQEXHZAQNKQPDE-UHFFFAOYSA-N -1 1 371.426 2.518 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC2(CCCC2)C1 ZINC001588704505 1080162234 /nfs/dbraw/zinc/16/22/34/1080162234.db2.gz LXWUYHNIBJPRAL-UHFFFAOYSA-N -1 1 366.429 2.675 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC2(CCCC2)C1 ZINC001588704505 1080162239 /nfs/dbraw/zinc/16/22/39/1080162239.db2.gz LXWUYHNIBJPRAL-UHFFFAOYSA-N -1 1 366.429 2.675 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1ccc(C(=O)[O-])cc1 ZINC001588781370 1080193124 /nfs/dbraw/zinc/19/31/24/1080193124.db2.gz XXPDNQSTVJZJSE-UHFFFAOYSA-N -1 1 369.385 2.687 20 30 FFEDMM CCN(CC)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccccc1Cl ZINC001589723238 1080686899 /nfs/dbraw/zinc/68/68/99/1080686899.db2.gz XUQNOGJRUSVWCU-QAPCUYQASA-N -1 1 365.861 2.844 20 30 FFEDMM C[C@]1(C#N)CCN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)C1 ZINC001590057148 1080983991 /nfs/dbraw/zinc/98/39/91/1080983991.db2.gz ZYIFJMUSKMMKFP-LJQANCHMSA-N -1 1 362.441 2.532 20 30 FFEDMM C[C@]1(C#N)CCN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)C1 ZINC001590057148 1080983996 /nfs/dbraw/zinc/98/39/96/1080983996.db2.gz ZYIFJMUSKMMKFP-LJQANCHMSA-N -1 1 362.441 2.532 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nc(C(C)(C)C)cs1 ZINC000331165681 258178858 /nfs/dbraw/zinc/17/88/58/258178858.db2.gz NBLSBIZCCORRBG-SNVBAGLBSA-N -1 1 350.469 2.747 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C=CCCC2)cc1Br ZINC000331304205 258181896 /nfs/dbraw/zinc/18/18/96/258181896.db2.gz FRLIYJOGTRYZGY-JTQLQIEISA-N -1 1 359.220 2.847 20 30 FFEDMM N#CCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000368989809 512171287 /nfs/dbraw/zinc/17/12/87/512171287.db2.gz CMZCUKKZEMVEMW-GOSISDBHSA-N -1 1 365.433 2.960 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000057124243 507178647 /nfs/dbraw/zinc/17/86/47/507178647.db2.gz LDKQMLGMXIYKJR-UHFFFAOYSA-N -1 1 350.371 2.523 20 30 FFEDMM N#CC(=C([O-])c1sccc1-n1cnnn1)c1ccc(C(F)(F)F)cn1 ZINC000048829882 507569542 /nfs/dbraw/zinc/56/95/42/507569542.db2.gz AEPUVRGSIVWWFN-SECBINFHSA-N -1 1 364.312 2.628 20 30 FFEDMM Cc1cc(C(C#N)=C([O-])c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nc(C)n1 ZINC000049407379 507619040 /nfs/dbraw/zinc/61/90/40/507619040.db2.gz MKJKKBAKXPCJMD-INIZCTEOSA-N -1 1 362.349 2.677 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc2C[C@@H]1C ZINC000029967262 507798437 /nfs/dbraw/zinc/79/84/37/507798437.db2.gz UEELFGJWDDDCJF-ZDUSSCGKSA-N -1 1 369.446 2.851 20 30 FFEDMM N#Cc1ccnc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)c1 ZINC000030936607 507815026 /nfs/dbraw/zinc/81/50/26/507815026.db2.gz FXBNSFVBSUSSDU-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC#N)ccc2C)c1 ZINC000101515775 508241849 /nfs/dbraw/zinc/24/18/49/508241849.db2.gz BDJPNXOXVFZZBK-UHFFFAOYSA-N -1 1 357.435 2.700 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncccc1Br ZINC000088447215 508372010 /nfs/dbraw/zinc/37/20/10/508372010.db2.gz JSVNWLSYEXBUBK-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM N#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000116438493 508514626 /nfs/dbraw/zinc/51/46/26/508514626.db2.gz XHUAEJREWHJUKJ-UHFFFAOYSA-N -1 1 367.789 2.533 20 30 FFEDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2F)c1 ZINC000134466422 508536046 /nfs/dbraw/zinc/53/60/46/508536046.db2.gz QPMGYOMKJFTVLZ-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cs1 ZINC000157476421 508571170 /nfs/dbraw/zinc/57/11/70/508571170.db2.gz XIRWISISOFAGNL-SECBINFHSA-N -1 1 366.424 2.525 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)ccc1Cl ZINC000157913970 508631939 /nfs/dbraw/zinc/63/19/39/508631939.db2.gz TZUKGIMEXPSORP-UHFFFAOYSA-N -1 1 361.810 2.897 20 30 FFEDMM C=C(C)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000154371315 508770136 /nfs/dbraw/zinc/77/01/36/508770136.db2.gz DLKHTZSTLMSRGN-UHFFFAOYSA-N -1 1 362.426 2.861 20 30 FFEDMM N#C[C@@H](C(=O)c1cncc(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000151536452 509038769 /nfs/dbraw/zinc/03/87/69/509038769.db2.gz DTBVMMKVRNATST-LBPRGKRZSA-N -1 1 368.393 2.888 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cc1Cl ZINC000126916955 509146967 /nfs/dbraw/zinc/14/69/67/509146967.db2.gz NCCYTSRKEFJPDH-UHFFFAOYSA-N -1 1 366.830 2.630 20 30 FFEDMM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000173739208 509747694 /nfs/dbraw/zinc/74/76/94/509747694.db2.gz AUOSQAPKHDYRTR-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM CSCC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nnc2ccccn21 ZINC000189959134 509852980 /nfs/dbraw/zinc/85/29/80/509852980.db2.gz SHWHQWHMKQEZPK-CQSZACIVSA-N -1 1 367.434 2.531 20 30 FFEDMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000190147629 509966674 /nfs/dbraw/zinc/96/66/74/509966674.db2.gz GDQZTJZQUVCFJT-UHFFFAOYSA-N -1 1 369.446 2.807 20 30 FFEDMM COc1ccc(Br)cc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000187690247 510387905 /nfs/dbraw/zinc/38/79/05/510387905.db2.gz ZEOQTGPIQLFKSK-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(C)o1 ZINC000175348949 510603864 /nfs/dbraw/zinc/60/38/64/510603864.db2.gz GEZWNNZMORMBFH-AWEZNQCLSA-N -1 1 354.815 2.779 20 30 FFEDMM CCc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2cccc(C)c2C)n1 ZINC000195072104 510658537 /nfs/dbraw/zinc/65/85/37/510658537.db2.gz MRCOAKOZHCAUSX-UHFFFAOYSA-N -1 1 370.478 2.988 20 30 FFEDMM CCOC(=O)C(=C([O-])CSc1cc(C#N)ccn1)c1nc(C)cs1 ZINC000298612635 511348648 /nfs/dbraw/zinc/34/86/48/511348648.db2.gz SFVDAZWIGRIKTG-AWEZNQCLSA-N -1 1 361.448 2.726 20 30 FFEDMM Cc1ccc(C#N)cc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000363152871 511385513 /nfs/dbraw/zinc/38/55/13/511385513.db2.gz FERRYEDUGCXKLE-UHFFFAOYSA-N -1 1 359.389 2.502 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C#N)CCC3)cc2)cc1 ZINC000299356416 511605186 /nfs/dbraw/zinc/60/51/86/511605186.db2.gz YVINENHQVRUBGP-UHFFFAOYSA-N -1 1 369.446 2.972 20 30 FFEDMM N#Cc1cccc(-c2c[nH]c(C[N-]S(=O)(=O)c3c(F)cccc3F)n2)c1 ZINC000364032134 511917347 /nfs/dbraw/zinc/91/73/47/511917347.db2.gz HWGNKVQKBWRDQG-UHFFFAOYSA-N -1 1 374.372 2.705 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000281890114 512000874 /nfs/dbraw/zinc/00/08/74/512000874.db2.gz WGTSCHAGVVGUQU-IUODEOHRSA-N -1 1 369.259 2.935 20 30 FFEDMM N#Cc1ccc(-n2ccc(NC(=O)c3c(F)ccc([O-])c3F)n2)c(F)c1 ZINC000377919305 512513124 /nfs/dbraw/zinc/51/31/24/512513124.db2.gz LZCVMKAELVBDHA-UHFFFAOYSA-N -1 1 358.279 2.541 20 30 FFEDMM N#Cc1cccnc1-n1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)cn1 ZINC000367999440 512758165 /nfs/dbraw/zinc/75/81/65/512758165.db2.gz UKQZUGWQACFRGN-UHFFFAOYSA-N -1 1 373.825 2.734 20 30 FFEDMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)no1 ZINC000451077399 513502803 /nfs/dbraw/zinc/50/28/03/513502803.db2.gz BCWBKPPEVHLUHE-UHFFFAOYSA-N -1 1 354.819 2.834 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1noc(Cc2ccccc2)n1 ZINC000435436123 513586704 /nfs/dbraw/zinc/58/67/04/513586704.db2.gz DFIJGMIUPJRDIK-NSHDSACASA-N -1 1 374.447 2.633 20 30 FFEDMM COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443093981 513870108 /nfs/dbraw/zinc/87/01/08/513870108.db2.gz KGAWRHZYBYIBCD-LLVKDONJSA-N -1 1 361.379 2.515 20 30 FFEDMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@H+]1CCCC[C@H]1C ZINC000443101379 513872754 /nfs/dbraw/zinc/87/27/54/513872754.db2.gz CORKOZCRLGBSEB-CHWSQXEVSA-N -1 1 355.891 2.753 20 30 FFEDMM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436612488 513918349 /nfs/dbraw/zinc/91/83/49/513918349.db2.gz YNMLDRNJKLAQHO-UHFFFAOYSA-N -1 1 369.384 2.980 20 30 FFEDMM N#Cc1ccncc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436708203 513951125 /nfs/dbraw/zinc/95/11/25/513951125.db2.gz QXRCMQMHTNBTKP-UHFFFAOYSA-N -1 1 364.405 2.974 20 30 FFEDMM COC(=O)c1ccc([O-])c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 ZINC000436722946 513958688 /nfs/dbraw/zinc/95/86/88/513958688.db2.gz KJLANTQPIXEZMW-UHFFFAOYSA-N -1 1 365.267 2.717 20 30 FFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000416945102 514059660 /nfs/dbraw/zinc/05/96/60/514059660.db2.gz MMMVKZWRRNYVSR-OAHLLOKOSA-N -1 1 359.455 2.715 20 30 FFEDMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000497960195 514702636 /nfs/dbraw/zinc/70/26/36/514702636.db2.gz OORQQNDAPZWFQI-UHFFFAOYSA-N -1 1 363.826 2.649 20 30 FFEDMM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000489247323 514769105 /nfs/dbraw/zinc/76/91/05/514769105.db2.gz FFGRVNHVPVWJLC-INIZCTEOSA-N -1 1 366.414 2.983 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CC#N)c2)cc1 ZINC000484734747 514773771 /nfs/dbraw/zinc/77/37/71/514773771.db2.gz ICTGKRJEZCKYAX-CYBMUJFWSA-N -1 1 373.434 2.528 20 30 FFEDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475792842 514811621 /nfs/dbraw/zinc/81/16/21/514811621.db2.gz RUQCFIWAHGKFJW-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000484969754 514858811 /nfs/dbraw/zinc/85/88/11/514858811.db2.gz YROXXZONPUTELR-UHFFFAOYSA-N -1 1 360.391 2.844 20 30 FFEDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000471912749 515051001 /nfs/dbraw/zinc/05/10/01/515051001.db2.gz WWNOWSAIVJNDQI-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000468577495 515422395 /nfs/dbraw/zinc/42/23/95/515422395.db2.gz TXKQPXYUTFTNDN-OAHLLOKOSA-N -1 1 357.435 2.828 20 30 FFEDMM C=C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000465466789 516161136 /nfs/dbraw/zinc/16/11/36/516161136.db2.gz ORFGLZRZAFZCTJ-LBPRGKRZSA-N -1 1 374.418 2.520 20 30 FFEDMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)CC1(C#N)CCCC1 ZINC000547936182 516643203 /nfs/dbraw/zinc/64/32/03/516643203.db2.gz DJUUPCQXAUTHSR-UHFFFAOYSA-N -1 1 366.439 2.999 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1nc(-c2cccc(F)c2)no1 ZINC000555353994 516898447 /nfs/dbraw/zinc/89/84/47/516898447.db2.gz HEJJVXOBZAFJCT-NSHDSACASA-N -1 1 364.402 2.550 20 30 FFEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C#N)cc2F)o1 ZINC000525190175 516952462 /nfs/dbraw/zinc/95/24/62/516952462.db2.gz VHJRVIZSUXZOMF-CQSZACIVSA-N -1 1 352.387 2.519 20 30 FFEDMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C#N ZINC000530144950 517588737 /nfs/dbraw/zinc/58/87/37/517588737.db2.gz KWSVAVWBBZITMF-UHFFFAOYSA-N -1 1 374.418 2.667 20 30 FFEDMM N#Cc1ccc(N2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)c(F)c1 ZINC000516215382 517620982 /nfs/dbraw/zinc/62/09/82/517620982.db2.gz SHSVGJKKFJSEME-UHFFFAOYSA-N -1 1 361.323 2.644 20 30 FFEDMM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553839846 517930362 /nfs/dbraw/zinc/93/03/62/517930362.db2.gz XEFGRYFEIAJIPG-CRAIPNDOSA-N -1 1 360.435 2.906 20 30 FFEDMM C=CCNC(=O)c1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000535099087 518151281 /nfs/dbraw/zinc/15/12/81/518151281.db2.gz IASQXXPHQVLIFU-UHFFFAOYSA-N -1 1 353.378 2.519 20 30 FFEDMM N#CCc1ccc(OC[C@@H](O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000579025998 518486363 /nfs/dbraw/zinc/48/63/63/518486363.db2.gz OYQFKZMPUFRGQI-LLVKDONJSA-N -1 1 367.377 2.718 20 30 FFEDMM N#CCc1ccc(OC[C@H](O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000579025999 518486451 /nfs/dbraw/zinc/48/64/51/518486451.db2.gz OYQFKZMPUFRGQI-NSHDSACASA-N -1 1 367.377 2.718 20 30 FFEDMM N#Cc1ccc(OC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c(F)c1 ZINC000588024788 518704148 /nfs/dbraw/zinc/70/41/48/518704148.db2.gz BNBZHJXXQSXYCU-UHFFFAOYSA-N -1 1 365.364 2.958 20 30 FFEDMM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cc([O-])cc(C#N)c3)ccc2NC1=O ZINC000589188701 518945806 /nfs/dbraw/zinc/94/58/06/518945806.db2.gz HKLGCWAEWFPPAH-DIFFPNOSSA-N -1 1 365.389 2.864 20 30 FFEDMM COc1ccc(C[C@@H](C)CNC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589195519 518946738 /nfs/dbraw/zinc/94/67/38/518946738.db2.gz FHJKOYNOFNUVPN-CYBMUJFWSA-N -1 1 354.406 2.890 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000589530183 519025057 /nfs/dbraw/zinc/02/50/57/519025057.db2.gz ROPOQEZQJBHLGJ-UHFFFAOYSA-N -1 1 350.334 2.626 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccncc2OCc2ccccc2)o1 ZINC000568545993 519094772 /nfs/dbraw/zinc/09/47/72/519094772.db2.gz GLTFTDBOZPITMG-UHFFFAOYSA-N -1 1 369.402 2.604 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)c(C)cc2c1 ZINC000590597522 519281181 /nfs/dbraw/zinc/28/11/81/519281181.db2.gz KFZFUQLZHMGBAF-UHFFFAOYSA-N -1 1 353.403 2.817 20 30 FFEDMM Cn1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)c(C(F)(F)F)n1 ZINC000594808066 520167651 /nfs/dbraw/zinc/16/76/51/520167651.db2.gz KFXLJZGBWYGOSX-UHFFFAOYSA-N -1 1 372.372 2.524 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1[O-] ZINC000597848314 520277694 /nfs/dbraw/zinc/27/76/94/520277694.db2.gz GCTRBFMQELXHBS-IBGZPJMESA-N -1 1 366.417 2.524 20 30 FFEDMM C[C@H](C#N)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000609919706 520482860 /nfs/dbraw/zinc/48/28/60/520482860.db2.gz DWYFRDARDHMZMP-SNVBAGLBSA-N -1 1 365.361 2.864 20 30 FFEDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000609985547 520496167 /nfs/dbraw/zinc/49/61/67/520496167.db2.gz NJVIQCHAZIXJTK-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM Cc1nc(SC[C@H](O)COc2ccc(CC#N)cc2)[n-]c(=O)c1C1CC1 ZINC000601087213 520629798 /nfs/dbraw/zinc/62/97/98/520629798.db2.gz DIXPJXHUIWPJAF-OAHLLOKOSA-N -1 1 371.462 2.966 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000614304822 520900200 /nfs/dbraw/zinc/90/02/00/520900200.db2.gz DLVXBFAGDUFFMR-UHFFFAOYSA-N -1 1 364.327 2.956 20 30 FFEDMM CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596296060 521014443 /nfs/dbraw/zinc/01/44/43/521014443.db2.gz FJLKIVISGZLPQI-LLVKDONJSA-N -1 1 364.858 2.850 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1F ZINC000619462283 521581217 /nfs/dbraw/zinc/58/12/17/521581217.db2.gz YOAKYINSYRTFRB-UHFFFAOYSA-N -1 1 364.398 2.718 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1 ZINC000628735860 521757528 /nfs/dbraw/zinc/75/75/28/521757528.db2.gz SQBQBUHDLAMHAM-OAQYLSRUSA-N -1 1 362.385 2.904 20 30 FFEDMM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)nn1 ZINC000632635730 522201874 /nfs/dbraw/zinc/20/18/74/522201874.db2.gz JOQRWCUXEZAYAP-UHFFFAOYSA-N -1 1 367.283 2.701 20 30 FFEDMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000737225486 598947952 /nfs/dbraw/zinc/94/79/52/598947952.db2.gz OSSUMUKATGONSC-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1c(Cl)cccc1Cl ZINC000737675609 599030370 /nfs/dbraw/zinc/03/03/70/599030370.db2.gz PZHFTWHMEMESAI-GFCCVEGCSA-N -1 1 374.191 2.563 20 30 FFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1c(Cl)cccc1Cl ZINC000737675609 599030372 /nfs/dbraw/zinc/03/03/72/599030372.db2.gz PZHFTWHMEMESAI-GFCCVEGCSA-N -1 1 374.191 2.563 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC(C(=O)[O-])CC2)ccc1Cl ZINC000740077234 596921988 /nfs/dbraw/zinc/92/19/88/596921988.db2.gz IWSOFCNNHJHARU-UHFFFAOYSA-N -1 1 363.845 2.692 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736308750 598401674 /nfs/dbraw/zinc/40/16/74/598401674.db2.gz HQVWMNFJZDVJJQ-GFCCVEGCSA-N -1 1 366.356 2.830 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736308750 598401676 /nfs/dbraw/zinc/40/16/76/598401676.db2.gz HQVWMNFJZDVJJQ-GFCCVEGCSA-N -1 1 366.356 2.830 20 30 FFEDMM CCn1c(C)cc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1C ZINC000736719882 598607145 /nfs/dbraw/zinc/60/71/45/598607145.db2.gz DGUYUIKYANUDCL-UHFFFAOYSA-N -1 1 356.434 2.937 20 30 FFEDMM Cc1ccc(C)c(N=C2NC(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)S2)c1 ZINC000822232277 599377508 /nfs/dbraw/zinc/37/75/08/599377508.db2.gz ZKBZPBHXTHYPCK-ZSOIEALJSA-N -1 1 366.406 2.968 20 30 FFEDMM Cc1ccc(C)c(N=C2NC(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)S2)c1 ZINC000822232277 599377510 /nfs/dbraw/zinc/37/75/10/599377510.db2.gz ZKBZPBHXTHYPCK-ZSOIEALJSA-N -1 1 366.406 2.968 20 30 FFEDMM N#CC(C(=O)CCSCC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000739075192 599799207 /nfs/dbraw/zinc/79/92/07/599799207.db2.gz QNRGSBBTECNZFL-SECBINFHSA-N -1 1 353.350 2.816 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c1C ZINC000738723557 599948197 /nfs/dbraw/zinc/94/81/97/599948197.db2.gz CBQDWMTVOFSSDD-HNNXBMFYSA-N -1 1 357.454 2.735 20 30 FFEDMM CCC(CC)CN(CCC#N)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000820893970 607453734 /nfs/dbraw/zinc/45/37/34/607453734.db2.gz YZBPXOVDYAQFPQ-UHFFFAOYSA-N -1 1 373.461 2.667 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736282116 600564598 /nfs/dbraw/zinc/56/45/98/600564598.db2.gz QWIJOGDLPCDXIV-JKSUJKDBSA-N -1 1 359.426 2.673 20 30 FFEDMM C=C(C)COc1cccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000825648013 601131438 /nfs/dbraw/zinc/13/14/38/601131438.db2.gz ZDTDQDUIEQECHG-HNNXBMFYSA-N -1 1 361.442 2.654 20 30 FFEDMM N#C[C@H](c1ccc(F)cc1)N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833065134 601139658 /nfs/dbraw/zinc/13/96/58/601139658.db2.gz SPBRFFGMZOIOHV-RTBURBONSA-N -1 1 353.397 2.834 20 30 FFEDMM N#Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000833074143 601310749 /nfs/dbraw/zinc/31/07/49/601310749.db2.gz PYQCNYBLBGWVNF-IBGZPJMESA-N -1 1 364.401 2.984 20 30 FFEDMM Cc1cc(CC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n[nH]1 ZINC000832882775 601648456 /nfs/dbraw/zinc/64/84/56/601648456.db2.gz BVLWOFJAURLYNJ-UHFFFAOYSA-N -1 1 359.385 2.997 20 30 FFEDMM C=CCn1c(=O)[nH]nc1SCCOc1ccc(C(=O)[O-])cc1Cl ZINC000825711347 601865396 /nfs/dbraw/zinc/86/53/96/601865396.db2.gz ZXGHHISZJSPJSV-UHFFFAOYSA-N -1 1 355.803 2.692 20 30 FFEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(O[C@H]2CCOC2)c1 ZINC000832934078 602149920 /nfs/dbraw/zinc/14/99/20/602149920.db2.gz OLWGBHGFLVCBSO-AZUAARDMSA-N -1 1 366.417 2.950 20 30 FFEDMM CCCN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739364995 602526301 /nfs/dbraw/zinc/52/63/01/602526301.db2.gz SXPGVJWKNOQVLG-KRWDZBQOSA-N -1 1 353.426 2.844 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000740129961 602530941 /nfs/dbraw/zinc/53/09/41/602530941.db2.gz IEYPYQDWMGWWDZ-DLBZAZTESA-N -1 1 372.469 2.562 20 30 FFEDMM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000825894376 603560240 /nfs/dbraw/zinc/56/02/40/603560240.db2.gz GSWKSDFZWCXVSW-ORAYPTAESA-N -1 1 369.425 2.914 20 30 FFEDMM Cc1cc(C(C#N)C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)nc(C)n1 ZINC000829981518 604219093 /nfs/dbraw/zinc/21/90/93/604219093.db2.gz XYFMTGUAGQXGKU-PVUWLOKVSA-N -1 1 352.394 2.915 20 30 FFEDMM N#CCSCCCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833068414 604358832 /nfs/dbraw/zinc/35/88/32/604358832.db2.gz YLEHOMVCDNMCSO-MRXNPFEDSA-N -1 1 367.902 2.730 20 30 FFEDMM COc1ccc(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000794919909 604640689 /nfs/dbraw/zinc/64/06/89/604640689.db2.gz AGZWJMGXIBEEKQ-NSHDSACASA-N -1 1 359.338 2.901 20 30 FFEDMM Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H](C)C#N)c(C(=O)[O-])c1 ZINC000833751051 605600760 /nfs/dbraw/zinc/60/07/60/605600760.db2.gz NGOTUQAPHFAIAJ-LBPRGKRZSA-N -1 1 360.391 2.785 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc([S@@](C)=O)cc2)o1 ZINC000819783463 606034366 /nfs/dbraw/zinc/03/43/66/606034366.db2.gz XWWNAMVSFVZWNL-AREMUKBSSA-N -1 1 373.442 2.552 20 30 FFEDMM COc1cc(C)cc2c1OCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000821707686 606390341 /nfs/dbraw/zinc/39/03/41/606390341.db2.gz BYIXWDVUAIKKJV-YFHOEESVSA-N -1 1 354.391 2.904 20 30 FFEDMM Cc1cc(C)n(N=Cc2ccc(C(C)(C)C)s2)c(=O)c1-c1nn[n-]n1 ZINC000822198632 607252164 /nfs/dbraw/zinc/25/21/64/607252164.db2.gz CTTPSNPHWYOYSD-UHFFFAOYSA-N -1 1 356.455 2.886 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](OCc3ccccc3)C2(C)C)o1 ZINC000826323139 609160126 /nfs/dbraw/zinc/16/01/26/609160126.db2.gz RPBVNSFHXHEOIX-CQSZACIVSA-N -1 1 367.413 2.946 20 30 FFEDMM O=C1Nc2cccc(Br)c2C1=N[N-]c1ccc(Cl)nn1 ZINC000017647309 727829358 /nfs/dbraw/zinc/82/93/58/727829358.db2.gz RGWOYRRHUFOHJE-UHFFFAOYSA-N -1 1 352.579 2.661 20 30 FFEDMM C#CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000025253642 727859121 /nfs/dbraw/zinc/85/91/21/727859121.db2.gz YMTPCWIUFWCFGW-UHFFFAOYSA-N -1 1 362.838 2.812 20 30 FFEDMM C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111667098 728537678 /nfs/dbraw/zinc/53/76/78/728537678.db2.gz SLESVTCMOOPRQW-UHFFFAOYSA-N -1 1 366.826 2.762 20 30 FFEDMM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1cccc(Br)c1 ZINC000120669777 728613973 /nfs/dbraw/zinc/61/39/73/728613973.db2.gz NNHMDUAESOQWBG-LLVKDONJSA-N -1 1 359.170 2.680 20 30 FFEDMM N#C[C@H](C(=O)[C@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000121891153 728641425 /nfs/dbraw/zinc/64/14/25/728641425.db2.gz SECKXTDFSYHDPL-VXGBXAGGSA-N -1 1 357.435 2.609 20 30 FFEDMM COCCCCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000126222861 728696210 /nfs/dbraw/zinc/69/62/10/728696210.db2.gz XQUJQMGHASTNGR-LBPRGKRZSA-N -1 1 359.451 2.856 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)cc1F ZINC000195129872 729530019 /nfs/dbraw/zinc/53/00/19/729530019.db2.gz SSOPAUUNNYUSPD-UHFFFAOYSA-N -1 1 360.345 2.595 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)cc1F ZINC000195129872 729530020 /nfs/dbraw/zinc/53/00/20/729530020.db2.gz SSOPAUUNNYUSPD-UHFFFAOYSA-N -1 1 360.345 2.595 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC#N)ccc2C)c1 ZINC000507969953 729927172 /nfs/dbraw/zinc/92/71/72/729927172.db2.gz YLBFFMARKGBHSH-UHFFFAOYSA-N -1 1 357.435 2.748 20 30 FFEDMM N#C[C@H](C(=O)COCC(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000860451488 730513778 /nfs/dbraw/zinc/51/37/78/730513778.db2.gz CWJWNQQOJPRBLL-SECBINFHSA-N -1 1 367.377 2.734 20 30 FFEDMM Cc1nc(O[C@H](C)C(F)(F)F)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000870288772 731492119 /nfs/dbraw/zinc/49/21/19/731492119.db2.gz XSTMDJSFRXEVAY-PWSUYJOCSA-N -1 1 350.300 3.000 20 30 FFEDMM C=CCCn1cc(CN[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])nn1 ZINC000656574768 731599508 /nfs/dbraw/zinc/59/95/08/731599508.db2.gz YJTRDBYJPLVRHV-OAHLLOKOSA-N -1 1 369.252 2.947 20 30 FFEDMM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000657036190 731709312 /nfs/dbraw/zinc/70/93/12/731709312.db2.gz BAJIMNGKRLRPDF-MNOVXSKESA-N -1 1 351.394 2.852 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NN2C(=S)N=NC2c2cccs2)c1 ZINC000726736879 734442094 /nfs/dbraw/zinc/44/20/94/734442094.db2.gz XQAWKTDELXSLQX-UHFFFAOYSA-N -1 1 360.420 2.670 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(F)cc1C#N ZINC000728625782 734535213 /nfs/dbraw/zinc/53/52/13/734535213.db2.gz JSOCKBWLEUZCOA-UHFFFAOYSA-N -1 1 362.382 2.816 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1csc(-c2csc(C)n2)c1 ZINC000731157083 734668610 /nfs/dbraw/zinc/66/86/10/734668610.db2.gz FNQBZYSDPZTUEY-UHFFFAOYSA-N -1 1 371.451 2.762 20 30 FFEDMM C#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000733287355 734804237 /nfs/dbraw/zinc/80/42/37/734804237.db2.gz DIRHSEPFISXXBL-UHFFFAOYSA-N -1 1 362.838 2.894 20 30 FFEDMM N#C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CCN1Cc1ccccc1 ZINC000734026548 734868749 /nfs/dbraw/zinc/86/87/49/734868749.db2.gz WBQKKFZHLRQILK-HNNXBMFYSA-N -1 1 355.825 2.896 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(N2CCOC2=O)c1 ZINC000734118753 734875132 /nfs/dbraw/zinc/87/51/32/734875132.db2.gz NQLDPHDUIWWKIL-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM CC(C)CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1 ZINC000741111401 735118158 /nfs/dbraw/zinc/11/81/58/735118158.db2.gz MXPAXNWKPKJDFA-GFCCVEGCSA-N -1 1 359.817 2.939 20 30 FFEDMM CC1(C)COc2c(S(=O)(=O)[N-]c3cc(C#N)ccc3Cl)cnn2C1 ZINC000901896467 735863039 /nfs/dbraw/zinc/86/30/39/735863039.db2.gz KVHMFMWUAPDEPI-UHFFFAOYSA-N -1 1 366.830 2.628 20 30 FFEDMM CC(C)(C)OC(=O)N[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC1(F)F ZINC000904178381 736230531 /nfs/dbraw/zinc/23/05/31/736230531.db2.gz HSMQDCSVOUNEMP-HNNXBMFYSA-N -1 1 360.332 2.846 20 30 FFEDMM CCCCCNC(=S)NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000757563499 736410100 /nfs/dbraw/zinc/41/01/00/736410100.db2.gz MJQWOXUWHGHJSB-UHFFFAOYSA-N -1 1 360.277 2.849 20 30 FFEDMM C#C[C@@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C(C)C ZINC000799047153 740383977 /nfs/dbraw/zinc/38/39/77/740383977.db2.gz RKIKLNLEYNFMNE-GFCCVEGCSA-N -1 1 358.316 2.891 20 30 FFEDMM C=C(Cl)C[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909121659 736886888 /nfs/dbraw/zinc/88/68/88/736886888.db2.gz CAVMRTCQAHGVLJ-KGLIPLIRSA-N -1 1 374.268 2.838 20 30 FFEDMM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Br)cc1 ZINC000767223789 737302879 /nfs/dbraw/zinc/30/28/79/737302879.db2.gz VWGXXFQGAZIAIG-LLVKDONJSA-N -1 1 359.170 2.680 20 30 FFEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914371926 737567942 /nfs/dbraw/zinc/56/79/42/737567942.db2.gz IIPCNBINLVFQQO-QMMMGPOBSA-N -1 1 365.224 2.567 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000769834775 737571772 /nfs/dbraw/zinc/57/17/72/737571772.db2.gz ROAIVXXPXIZXAW-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM C#CCNC(=O)c1ccccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000785553778 738976640 /nfs/dbraw/zinc/97/66/40/738976640.db2.gz JEDYCPHICCMSDQ-UHFFFAOYSA-N -1 1 358.781 2.670 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC#Cc1ccc(F)cc1 ZINC000771336369 737715806 /nfs/dbraw/zinc/71/58/06/737715806.db2.gz ICWRSOKCGPYYSM-UHFFFAOYSA-N -1 1 361.394 2.796 20 30 FFEDMM CC(C)[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000814822075 741868002 /nfs/dbraw/zinc/86/80/02/741868002.db2.gz GPQDBWCHRVFFON-CQSZACIVSA-N -1 1 357.457 2.532 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1cccc2ccccc21 ZINC000921386130 737974029 /nfs/dbraw/zinc/97/40/29/737974029.db2.gz JDRNAPDTYHHYJQ-MRXNPFEDSA-N -1 1 360.435 2.523 20 30 FFEDMM N#CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000932901907 739533638 /nfs/dbraw/zinc/53/36/38/739533638.db2.gz CHSQOVUCPSDDMV-SECBINFHSA-N -1 1 366.137 2.798 20 30 FFEDMM C#Cc1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000934928386 739867787 /nfs/dbraw/zinc/86/77/87/739867787.db2.gz VRAHEVILPAEVKB-UHFFFAOYSA-N -1 1 353.344 2.590 20 30 FFEDMM CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000795360579 740010273 /nfs/dbraw/zinc/01/02/73/740010273.db2.gz CQCJUZNCDWLCQZ-UHFFFAOYSA-N -1 1 365.798 2.752 20 30 FFEDMM C=CCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000796000761 740088791 /nfs/dbraw/zinc/08/87/91/740088791.db2.gz PUWNSJOVRHOVRG-UHFFFAOYSA-N -1 1 354.409 2.700 20 30 FFEDMM COC(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2OC(F)F)[n-]1 ZINC000796345938 740134300 /nfs/dbraw/zinc/13/43/00/740134300.db2.gz ORUSEDMESBAWNQ-UHFFFAOYSA-N -1 1 350.277 2.631 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000797842117 740279579 /nfs/dbraw/zinc/27/95/79/740279579.db2.gz VQLAVAVKDZASDK-IINYFYTJSA-N -1 1 360.819 2.508 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000797842118 740279652 /nfs/dbraw/zinc/27/96/52/740279652.db2.gz VQLAVAVKDZASDK-QMTHXVAHSA-N -1 1 360.819 2.508 20 30 FFEDMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000809820159 741348273 /nfs/dbraw/zinc/34/82/73/741348273.db2.gz OPIDXFTXABFPQF-UHFFFAOYSA-N -1 1 374.447 2.644 20 30 FFEDMM Cc1ccc(S(=O)(=O)NN=Cc2cccc([O-])c2Cl)cc1[N+](=O)[O-] ZINC000814690752 741857585 /nfs/dbraw/zinc/85/75/85/741857585.db2.gz XRDBKYBFKWLSQC-UHFFFAOYSA-N -1 1 369.786 2.575 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000830855180 745441598 /nfs/dbraw/zinc/44/15/98/745441598.db2.gz NEHPPJRTRJQYHL-UHFFFAOYSA-N -1 1 359.220 2.542 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1[O-] ZINC000838374554 746626471 /nfs/dbraw/zinc/62/64/71/746626471.db2.gz JUXXYKJZZYPWRX-UHFFFAOYSA-N -1 1 357.797 2.996 20 30 FFEDMM CC(NNc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)=C1CC1(F)F ZINC000841628709 747421873 /nfs/dbraw/zinc/42/18/73/747421873.db2.gz ARLQYXSJQPGMFR-NSHDSACASA-N -1 1 373.410 2.782 20 30 FFEDMM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843014865 747747695 /nfs/dbraw/zinc/74/76/95/747747695.db2.gz HKSJCMKUTYFALB-UHFFFAOYSA-N -1 1 368.524 2.509 20 30 FFEDMM C=C(C)CO[N-]C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000846538824 748499168 /nfs/dbraw/zinc/49/91/68/748499168.db2.gz VHUHDBRAXQQNES-ZDUSSCGKSA-N -1 1 356.344 2.678 20 30 FFEDMM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000846549745 748500475 /nfs/dbraw/zinc/50/04/75/748500475.db2.gz LFDTWGYMTSWHLN-DGCLKSJQSA-N -1 1 356.344 2.676 20 30 FFEDMM Cc1csc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1C#N ZINC000847185583 748638308 /nfs/dbraw/zinc/63/83/08/748638308.db2.gz KPRZLMHAXBSSIY-JTQLQIEISA-N -1 1 374.388 2.851 20 30 FFEDMM N#C[C@@H](C(=O)C[C@@H]1CCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817742 845179409 /nfs/dbraw/zinc/17/94/09/845179409.db2.gz ZDWWKLNZEJCAPS-JQWIXIFHSA-N -1 1 357.435 2.609 20 30 FFEDMM CCn1c(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)n[n-]c1=S ZINC000066636152 845480257 /nfs/dbraw/zinc/48/02/57/845480257.db2.gz CLTZLVMLGNCJIC-HNNXBMFYSA-N -1 1 359.455 2.552 20 30 FFEDMM N#CCCCOc1cccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000324155043 971090663 /nfs/dbraw/zinc/09/06/63/971090663.db2.gz ALPIAPBYEXIRFA-UHFFFAOYSA-N -1 1 366.420 2.930 20 30 FFEDMM CCn1c(CCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)n[n-]c1=S ZINC000067076204 962149302 /nfs/dbraw/zinc/14/93/02/962149302.db2.gz GMBDGDQANQFHFZ-MRXNPFEDSA-N -1 1 373.482 2.595 20 30 FFEDMM C=C(C)C(=O)NCCCNc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001167671546 967690137 /nfs/dbraw/zinc/69/01/37/967690137.db2.gz HUNNMDOYLVLPKJ-LBPRGKRZSA-N -1 1 357.376 2.920 20 30 FFEDMM N#CCOc1cccc(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1 ZINC001605601244 973901840 /nfs/dbraw/zinc/90/18/40/973901840.db2.gz DPHDDPLAPKCXDJ-MRXNPFEDSA-N -1 1 369.421 2.773 20 30 FFEDMM Cc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc([N+](=O)[O-])c1C#N ZINC001167939789 978245883 /nfs/dbraw/zinc/24/58/83/978245883.db2.gz YJCFRKIMHKSXJB-UHFFFAOYSA-N -1 1 373.305 2.860 20 30 FFEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2coc(C(N)=O)c2)cc1 ZINC000760182768 980184412 /nfs/dbraw/zinc/18/44/12/980184412.db2.gz HPLGJWRYPBCPIB-IAQYHMDHSA-N -1 1 353.378 2.853 20 30 FFEDMM N#C[C@]1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC2CCC1CC2 ZINC000907959645 981332824 /nfs/dbraw/zinc/33/28/24/981332824.db2.gz LPCFOVRNSHALDI-MKTAYPAQSA-N -1 1 371.403 2.624 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)c1ccccc1 ZINC000908389288 981425616 /nfs/dbraw/zinc/42/56/16/981425616.db2.gz GPVMXYBFIVINKH-SFHVURJKSA-N -1 1 372.446 2.509 20 30 FFEDMM C#CCOCCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000166790253 984546548 /nfs/dbraw/zinc/54/65/48/984546548.db2.gz LDHLPMZBUKTUQQ-UHFFFAOYSA-N -1 1 368.414 2.735 20 30 FFEDMM CCc1[nH]c(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1C(=O)[O-] ZINC001597386762 987607458 /nfs/dbraw/zinc/60/74/58/987607458.db2.gz OPTNIJBZZQQXFN-CQSZACIVSA-N -1 1 353.426 2.618 20 30 FFEDMM CCc1[nH]c(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1C(=O)[O-] ZINC001597386762 987607460 /nfs/dbraw/zinc/60/74/60/987607460.db2.gz OPTNIJBZZQQXFN-CQSZACIVSA-N -1 1 353.426 2.618 20 30 FFEDMM COc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc([N+](=O)[O-])c1O ZINC000915106974 988232313 /nfs/dbraw/zinc/23/23/13/988232313.db2.gz YXGKLBHCFWLSPX-QPJJXVBHSA-N -1 1 357.318 2.832 20 30 FFEDMM N#CCc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC001212305094 991635838 /nfs/dbraw/zinc/63/58/38/991635838.db2.gz YOAUXSVSFKFUQU-UHFFFAOYSA-N -1 1 356.234 2.933 20 30 FFEDMM C[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611223 992241658 /nfs/dbraw/zinc/24/16/58/992241658.db2.gz TUKARRSYAYHECL-RHSMWYFYSA-N -1 1 369.852 2.542 20 30 FFEDMM C[C@](NCc1cccc(C#N)n1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593305096 994757909 /nfs/dbraw/zinc/75/79/09/994757909.db2.gz VQPQVMXWVOZXTF-MRXNPFEDSA-N -1 1 360.211 2.805 20 30 FFEDMM C[C@@](O)(CN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC001593396235 995138352 /nfs/dbraw/zinc/13/83/52/995138352.db2.gz JMVMMHMDECSILS-BKPPORCPSA-N -1 1 373.240 2.520 20 30 FFEDMM C#C[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(Cl)cc1 ZINC000812353823 995411560 /nfs/dbraw/zinc/41/15/60/995411560.db2.gz ZLUAKCOHARFLDR-MRXNPFEDSA-N -1 1 368.824 2.738 20 30 FFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000812763144 995518945 /nfs/dbraw/zinc/51/89/45/995518945.db2.gz FGVMYPGTPJIHPN-CYBMUJFWSA-N -1 1 364.405 2.675 20 30 FFEDMM O=c1nc(NN=C2C[C@H](c3ccccc3)Oc3ccccc32)nc2[nH][n-]cc1-2 ZINC000731157024 997720623 /nfs/dbraw/zinc/72/06/23/997720623.db2.gz BBOGLGAJKRXLSO-QGZVFWFLSA-N -1 1 372.388 2.772 20 30 FFEDMM COc1cc(C#N)ccc1OCCN1CCc2c(cccc2C(=O)[O-])C1 ZINC001599350489 998084755 /nfs/dbraw/zinc/08/47/55/998084755.db2.gz VETDOZJFPVKOTQ-UHFFFAOYSA-N -1 1 352.390 2.702 20 30 FFEDMM CCc1cc2c(COC(=O)c3cc(C#N)ccn3)cc(=O)oc2cc1[O-] ZINC000803845225 1016230452 /nfs/dbraw/zinc/23/04/52/1016230452.db2.gz ALEUQKUUURSWSY-UHFFFAOYSA-N -1 1 350.330 2.685 20 30 FFEDMM N#Cc1c(N)c(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)ccc1F ZINC001169330196 1000040559 /nfs/dbraw/zinc/04/05/59/1000040559.db2.gz UFGQYLCBIIDXKK-UHFFFAOYSA-N -1 1 358.279 2.652 20 30 FFEDMM COC(=O)c1c(Cl)cc(Cl)nc1[N-]c1c(C#N)cnn1C(=O)OC ZINC001169962720 1000090812 /nfs/dbraw/zinc/09/08/12/1000090812.db2.gz WTQLVDXZXOSUSK-UHFFFAOYSA-N -1 1 370.152 2.601 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000768300826 1000202852 /nfs/dbraw/zinc/20/28/52/1000202852.db2.gz KCBRJSDRMDIQFV-HXUWFJFHSA-N -1 1 371.437 2.879 20 30 FFEDMM Cn1ncc2c1[n-]c(NN=CC=C1N(C)c3ccccc3C1(C)C)nc2=O ZINC000769819778 1000599485 /nfs/dbraw/zinc/59/94/85/1000599485.db2.gz YCTUSMNMLDEKAK-ZILQHULQSA-N -1 1 363.425 2.778 20 30 FFEDMM Cc1ncc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cn1 ZINC001146946934 1000794761 /nfs/dbraw/zinc/79/47/61/1000794761.db2.gz CCFLAPFKBUNDCX-IFRROFPPSA-N -1 1 366.406 2.572 20 30 FFEDMM N#Cc1sc(-c2ccc(F)cc2)cc1[N-]C(=O)c1nccnc1C(N)=O ZINC001147748549 1000970219 /nfs/dbraw/zinc/97/02/19/1000970219.db2.gz ZDGWNXSPDFANOR-UHFFFAOYSA-N -1 1 367.365 2.567 20 30 FFEDMM Cc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c2ccccn12 ZINC000786553932 1001605074 /nfs/dbraw/zinc/60/50/74/1001605074.db2.gz JLBWLHZVUCIMJO-CQSZACIVSA-N -1 1 368.343 2.560 20 30 FFEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1N1CCNC1=O ZINC000792111587 1002908822 /nfs/dbraw/zinc/90/88/22/1002908822.db2.gz VPNIXEPQUZHYCN-HNNXBMFYSA-N -1 1 371.400 2.958 20 30 FFEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774932404 1003073603 /nfs/dbraw/zinc/07/36/03/1003073603.db2.gz LBWOKMJOMAWJEW-AWEZNQCLSA-N -1 1 372.343 2.573 20 30 FFEDMM N#C[C@@H]([N-]S(=O)(=O)c1c(Cl)nc2sccn21)c1ccccc1 ZINC001187092683 1003564478 /nfs/dbraw/zinc/56/44/78/1003564478.db2.gz ZYIASJXEEMSPAJ-SNVBAGLBSA-N -1 1 352.828 2.592 20 30 FFEDMM CC(=O)NCCCCCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196329373 1003744471 /nfs/dbraw/zinc/74/44/71/1003744471.db2.gz AHPVUUFHFYEUOJ-UHFFFAOYSA-N -1 1 365.433 2.967 20 30 FFEDMM COc1cccc2c1OC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196714160 1003924271 /nfs/dbraw/zinc/92/42/71/1003924271.db2.gz TWZQEDOASMMACU-CYBMUJFWSA-N -1 1 364.810 2.632 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(CO)c2)ccc1Br ZINC001197311778 1004156864 /nfs/dbraw/zinc/15/68/64/1004156864.db2.gz HDGKSLHLABIHGY-UHFFFAOYSA-N -1 1 367.224 2.614 20 30 FFEDMM Cc1ccnc(F)c1[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001197282269 1004162971 /nfs/dbraw/zinc/16/29/71/1004162971.db2.gz WWEUIMJRMXOBPF-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cnccc2F)ccc1Br ZINC001197287258 1004163829 /nfs/dbraw/zinc/16/38/29/1004163829.db2.gz PBLDZXRLNITEPP-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)ccc1C#N ZINC001197607781 1004298908 /nfs/dbraw/zinc/29/89/08/1004298908.db2.gz FGAPZHHVGSKOHY-UHFFFAOYSA-N -1 1 366.345 2.565 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1CC1CCOCC1 ZINC001193111572 1004376430 /nfs/dbraw/zinc/37/64/30/1004376430.db2.gz IYZHHFOFEGSVIM-CQSZACIVSA-N -1 1 374.466 2.630 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001193146061 1004390035 /nfs/dbraw/zinc/39/00/35/1004390035.db2.gz HDWZGKCGXLLXPT-GFCCVEGCSA-N -1 1 365.455 2.634 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]CCOC(F)(F)C(F)(F)F)c(F)c1F ZINC001194391567 1004720363 /nfs/dbraw/zinc/72/03/63/1004720363.db2.gz RDADDIFLAIAGQM-UHFFFAOYSA-N -1 1 369.258 2.723 20 30 FFEDMM COC(=O)c1ccc(C(=NC(=O)OCCF)[N-]C(=O)OC(C)(C)C)cc1 ZINC001194985831 1004865015 /nfs/dbraw/zinc/86/50/15/1004865015.db2.gz FFQMNARJPQAORS-UHFFFAOYSA-N -1 1 368.361 2.851 20 30 FFEDMM COC(=O)[C@H]1CCc2cc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)ccc21 ZINC001201324018 1005200128 /nfs/dbraw/zinc/20/01/28/1005200128.db2.gz UTDRQZHVTPXIDR-SFHVURJKSA-N -1 1 370.430 2.870 20 30 FFEDMM CCc1cc2c(COC(=O)CC3(C#N)CCOCC3)cc(=O)oc2cc1[O-] ZINC000850298070 1005803705 /nfs/dbraw/zinc/80/37/05/1005803705.db2.gz FNJKHOVFTKTMRU-UHFFFAOYSA-N -1 1 371.389 2.815 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1(C)C ZINC000854972968 1007048644 /nfs/dbraw/zinc/04/86/44/1007048644.db2.gz DLLQPARPSMEIFJ-GJZGRUSLSA-N -1 1 359.426 2.685 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1(C)C ZINC000854972925 1007048727 /nfs/dbraw/zinc/04/87/27/1007048727.db2.gz DAJLJMNWOSNHQB-HUUCEWRRSA-N -1 1 359.426 2.685 20 30 FFEDMM N=C(c1nonc1N)N([O-])C(=O)c1ccc2ccc(-c3ccccc3)nc2c1 ZINC001152611157 1032203470 /nfs/dbraw/zinc/20/34/70/1032203470.db2.gz MYGUXZMTYJSEPQ-UHFFFAOYSA-N -1 1 374.360 2.724 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc([O-])cc(C#N)c3)CC[C@@H]21 ZINC000817000306 1007314150 /nfs/dbraw/zinc/31/41/50/1007314150.db2.gz LFNKQJKVOFFMGH-YOEHRIQHSA-N -1 1 371.437 2.735 20 30 FFEDMM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000855497289 1007374542 /nfs/dbraw/zinc/37/45/42/1007374542.db2.gz VUEMRYHBXRUIMZ-UHFFFAOYSA-N -1 1 357.328 2.828 20 30 FFEDMM C#C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1CCOCC1 ZINC000856105596 1007690793 /nfs/dbraw/zinc/69/07/93/1007690793.db2.gz AHMVQUNASXGIHT-INIZCTEOSA-N -1 1 374.437 2.897 20 30 FFEDMM C[C@H](Cc1cn(C)c2ccc(F)cc12)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001191293527 1007958509 /nfs/dbraw/zinc/95/85/09/1007958509.db2.gz QUTGMONZTJIMJP-LLVKDONJSA-N -1 1 361.398 2.692 20 30 FFEDMM C#CC1CCN(C(=O)C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc2)CC1 ZINC001181012496 1009933447 /nfs/dbraw/zinc/93/34/47/1009933447.db2.gz DBFCXLWQHSFKJL-HNNXBMFYSA-N -1 1 352.356 2.668 20 30 FFEDMM C#CC1CCN(C(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc2)CC1 ZINC001181012498 1009933461 /nfs/dbraw/zinc/93/34/61/1009933461.db2.gz DBFCXLWQHSFKJL-OAHLLOKOSA-N -1 1 352.356 2.668 20 30 FFEDMM N#Cc1cccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000646430051 1011924114 /nfs/dbraw/zinc/92/41/14/1011924114.db2.gz SYTIKSUUCVDXMW-UHFFFAOYSA-N -1 1 350.378 2.786 20 30 FFEDMM Cc1cccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000870836965 1012588263 /nfs/dbraw/zinc/58/82/63/1012588263.db2.gz SRXCGKLOJDCBCD-UHFFFAOYSA-N -1 1 363.417 2.607 20 30 FFEDMM C#CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000930939358 1020248009 /nfs/dbraw/zinc/24/80/09/1020248009.db2.gz AKVMVKGCQJYYAS-AWEZNQCLSA-N -1 1 368.393 2.572 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccnc1-2 ZINC000931132050 1020338323 /nfs/dbraw/zinc/33/83/23/1020338323.db2.gz RCEJLKFTNITCRT-UHFFFAOYSA-N -1 1 360.421 2.625 20 30 FFEDMM C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2ncccc2[O-])C1 ZINC001009544611 1021399163 /nfs/dbraw/zinc/39/91/63/1021399163.db2.gz QFTZPWZDIAKWLY-RVHYNSKXSA-N -1 1 371.481 2.748 20 30 FFEDMM CNC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001118228045 1022131927 /nfs/dbraw/zinc/13/19/27/1022131927.db2.gz KNODQMKIWSQHAI-UHFFFAOYSA-N -1 1 371.462 2.577 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CC3(CCC3)Oc3ccccc32)c2ccccc21 ZINC000753162931 1023281163 /nfs/dbraw/zinc/28/11/63/1023281163.db2.gz MEXMRMJRFJXTTI-UHFFFAOYSA-N -1 1 367.430 2.835 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CCCCCO ZINC001122525087 1023318547 /nfs/dbraw/zinc/31/85/47/1023318547.db2.gz RCVCWYAERNVACT-UHFFFAOYSA-N -1 1 365.865 2.874 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCS[C@H](C)C1 ZINC001122616994 1023371345 /nfs/dbraw/zinc/37/13/45/1023371345.db2.gz SQYHWLIABQGHMN-GFCCVEGCSA-N -1 1 372.498 2.836 20 30 FFEDMM O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(O)c(OC[C@H]2C[C@H](O)C2)c1 ZINC001218430376 1033153418 /nfs/dbraw/zinc/15/34/18/1033153418.db2.gz QOIXGQBGCDZPMD-NABZIPBWSA-N -1 1 368.385 2.906 20 30 FFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000757471793 1023823695 /nfs/dbraw/zinc/82/36/95/1023823695.db2.gz FDDNCDMUKHJYTA-XVNBXDOJSA-N -1 1 353.374 2.823 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C ZINC001121659182 1023908418 /nfs/dbraw/zinc/90/84/18/1023908418.db2.gz DEWULWJXJVGWRH-HIFRSBDPSA-N -1 1 350.426 2.942 20 30 FFEDMM C=CCN(C)c1nnc(-c2cc(Cl)ncc2[O-])n1Cc1cc(C)on1 ZINC001123797371 1024040193 /nfs/dbraw/zinc/04/01/93/1024040193.db2.gz LSKQTZSRODTXRW-UHFFFAOYSA-N -1 1 360.805 2.666 20 30 FFEDMM N#Cc1c(Cl)c2ccccc2nc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001159189033 1027303313 /nfs/dbraw/zinc/30/33/13/1027303313.db2.gz GEKIVTFVUYJHBN-UHFFFAOYSA-N -1 1 353.729 2.533 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cnc3cc(Br)ccn32)c([O-])c1 ZINC001155357853 1028692958 /nfs/dbraw/zinc/69/29/58/1028692958.db2.gz WORRBQURYMGIIX-UHFFFAOYSA-N -1 1 357.167 2.926 20 30 FFEDMM CCOC(=O)c1nc([C@@H](C)Nc2ccc(C#N)c(Br)c2)n[n-]1 ZINC001163697155 1029028999 /nfs/dbraw/zinc/02/89/99/1029028999.db2.gz ZZMCAEDJDWHZOG-MRVPVSSYSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1nnc([C@@H](C)Nc2ccc(C#N)c(Br)c2)[n-]1 ZINC001163697155 1029029018 /nfs/dbraw/zinc/02/90/18/1029029018.db2.gz ZZMCAEDJDWHZOG-MRVPVSSYSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2ccc(C#N)c(Br)c2)n1 ZINC001163697155 1029029032 /nfs/dbraw/zinc/02/90/32/1029029032.db2.gz ZZMCAEDJDWHZOG-MRVPVSSYSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1ncc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cn1 ZINC001163765623 1029055058 /nfs/dbraw/zinc/05/50/58/1029055058.db2.gz IYQFUCBOIVKJOR-UHFFFAOYSA-N -1 1 370.287 2.800 20 30 FFEDMM C=C[C@H](Oc1cc([O-])ccc1C(=O)Cc1ccc(OC)cc1)C(=O)OC ZINC001226544640 1034726565 /nfs/dbraw/zinc/72/65/65/1034726565.db2.gz TWJWOXRRUHRIMV-SFHVURJKSA-N -1 1 356.374 2.933 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](Oc3cc([O-])ccc3C#N)CO2)C1 ZINC001228004367 1035865444 /nfs/dbraw/zinc/86/54/44/1035865444.db2.gz BECBXHOVIGPXKH-KXBFYZLASA-N -1 1 360.410 2.811 20 30 FFEDMM N#Cc1ccc([O-])cc1OC[C@@H]1OCCc2cn(Cc3ccncc3)nc21 ZINC001228006211 1035867436 /nfs/dbraw/zinc/86/74/36/1035867436.db2.gz YIQPNAYXXGLPHC-IBGZPJMESA-N -1 1 362.389 2.596 20 30 FFEDMM O=C1C=C[C@H](Oc2c(Br)c([O-])cc(O)c2Br)C1 ZINC001229279171 1036594239 /nfs/dbraw/zinc/59/42/39/1036594239.db2.gz BBCXJCAFJAZUQA-LURJTMIESA-N -1 1 363.989 2.899 20 30 FFEDMM CC[C@@H](O)C(=O)Oc1cc(/C=C/C(=O)c2ccc([O-])cc2OC)ccc1O ZINC001229693345 1036834134 /nfs/dbraw/zinc/83/41/34/1036834134.db2.gz FZEJLPXAAIQBOY-SGJXGLNRSA-N -1 1 372.373 2.679 20 30 FFEDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H](C#N)N(C(=O)OC(C)(C)C)C1 ZINC001234476090 1037054530 /nfs/dbraw/zinc/05/45/30/1037054530.db2.gz LAOPJANHKHBFJD-NWDGAFQWSA-N -1 1 362.382 2.581 20 30 FFEDMM CCC1=C(Oc2c(=O)[n-]c(-c3ccccc3)nc2C(=O)OC)C(=O)[C@H](C)O1 ZINC001234556385 1037086081 /nfs/dbraw/zinc/08/60/81/1037086081.db2.gz DWNXLVILHHSHFZ-JTQLQIEISA-N -1 1 370.361 2.624 20 30 FFEDMM C#CC(C#C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)cc1O)O2 ZINC001234758430 1037171829 /nfs/dbraw/zinc/17/18/29/1037171829.db2.gz UZUJSXFIODSKAZ-KRWDZBQOSA-N -1 1 350.326 2.524 20 30 FFEDMM N#Cc1cnc([N-]S(=O)(=O)c2cccc(F)c2)c(Br)c1 ZINC001255574833 1038026967 /nfs/dbraw/zinc/02/69/67/1038026967.db2.gz CUNXFEWRFNCSMP-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM C=C[C@H]1C[C@]1([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC ZINC001257780380 1038972339 /nfs/dbraw/zinc/97/23/39/1038972339.db2.gz MSZNFLDMUUVXJA-LKFCYVNXSA-N -1 1 364.250 2.780 20 30 FFEDMM C[C@H](CCc1ccccc1F)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001252294782 1039483344 /nfs/dbraw/zinc/48/33/44/1039483344.db2.gz DNZCXABPQUPCRT-GFCCVEGCSA-N -1 1 360.410 2.660 20 30 FFEDMM COCCOc1c(F)cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F ZINC001259125494 1039731206 /nfs/dbraw/zinc/73/12/06/1039731206.db2.gz FQHRKUPZGQJQBQ-UHFFFAOYSA-N -1 1 368.361 2.662 20 30 FFEDMM CC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC001259125045 1039732484 /nfs/dbraw/zinc/73/24/84/1039732484.db2.gz ICQAQEULAHVLGM-UHFFFAOYSA-N -1 1 355.419 2.658 20 30 FFEDMM COc1ccc(CN2CCC[C@H](C#N)C2)c([O-])c1I ZINC001248494305 1040300244 /nfs/dbraw/zinc/30/02/44/1040300244.db2.gz QFTYJBNPWYVMBR-SNVBAGLBSA-N -1 1 372.206 2.741 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)cc1F ZINC001260662290 1040704557 /nfs/dbraw/zinc/70/45/57/1040704557.db2.gz COPLLSXKYNEDHS-UHFFFAOYSA-N -1 1 363.410 2.758 20 30 FFEDMM N#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1ccc(F)cc1 ZINC001261074738 1040983843 /nfs/dbraw/zinc/98/38/43/1040983843.db2.gz CCDPXIXGCZRRIR-NSHDSACASA-N -1 1 366.761 2.558 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001262943002 1041978846 /nfs/dbraw/zinc/97/88/46/1041978846.db2.gz DFQXGNLOQYFBDX-VXGBXAGGSA-N -1 1 372.498 2.834 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@H](CCF)C1 ZINC001263288368 1042222621 /nfs/dbraw/zinc/22/26/21/1042222621.db2.gz PZMPROXCFQOEIG-NSHDSACASA-N -1 1 353.833 2.869 20 30 FFEDMM C[C@@H](CSCc1ccccc1)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001319545554 1045189277 /nfs/dbraw/zinc/18/92/77/1045189277.db2.gz LOJNGWFQVMJZSM-ZDUSSCGKSA-N -1 1 374.487 2.821 20 30 FFEDMM C=C[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001320295208 1045385211 /nfs/dbraw/zinc/38/52/11/1045385211.db2.gz VYUJVEGMUGRIFM-MRVPVSSYSA-N -1 1 372.643 2.721 20 30 FFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CC1 ZINC001321866516 1045846665 /nfs/dbraw/zinc/84/66/65/1045846665.db2.gz FHSFDWZUEKYXDD-UHFFFAOYSA-N -1 1 364.373 2.813 20 30 FFEDMM CSc1nc(CNC(=O)CCCCOc2cccc(C#N)c2)cc(=O)[n-]1 ZINC001299998636 1050652869 /nfs/dbraw/zinc/65/28/69/1050652869.db2.gz NNDQRBSBRVRIKY-UHFFFAOYSA-N -1 1 372.450 2.641 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001342186541 1050778100 /nfs/dbraw/zinc/77/81/00/1050778100.db2.gz VRDADOLJEATXFV-CABCVRRESA-N -1 1 372.473 2.593 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCOCC2(CC2)C1 ZINC001340600981 1050986118 /nfs/dbraw/zinc/98/61/18/1050986118.db2.gz TWIJNWJSHFXPCF-UHFFFAOYSA-N -1 1 361.833 2.502 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001340602181 1050986609 /nfs/dbraw/zinc/98/66/09/1050986609.db2.gz ZFOHISKGRDYZBK-VXGBXAGGSA-N -1 1 363.849 2.889 20 30 FFEDMM N#CC(=C([O-])c1ccc(OCC(F)F)nc1)c1nc(N)c2ccccc2n1 ZINC001343353528 1052180167 /nfs/dbraw/zinc/18/01/67/1052180167.db2.gz AAJRKIJDMVOHSZ-GFCCVEGCSA-N -1 1 369.331 2.741 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)O[C@H](C)CC#Cc2cccnc2)c1 ZINC001345044113 1052218272 /nfs/dbraw/zinc/21/82/72/1052218272.db2.gz APPHAZOLRCPCJK-SGANQWHYSA-N -1 1 357.431 2.571 20 30 FFEDMM O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc(Br)c([O-])c1 ZINC001343525308 1052283082 /nfs/dbraw/zinc/28/30/82/1052283082.db2.gz CHVVVTMSMOFWNI-UHFFFAOYSA-N -1 1 360.163 2.874 20 30 FFEDMM COc1ccc([O-])c(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC001309217688 1052577063 /nfs/dbraw/zinc/57/70/63/1052577063.db2.gz NOEIKSLTZUKDOS-SJORKVTESA-N -1 1 372.446 2.861 20 30 FFEDMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC001300042984 1055560520 /nfs/dbraw/zinc/56/05/20/1055560520.db2.gz OINNSMQGHGEPOR-WFASDCNBSA-N -1 1 367.371 2.549 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000847364820 1055605163 /nfs/dbraw/zinc/60/51/63/1055605163.db2.gz DMIVOXSKTJWCQS-BLYZHGLHSA-N -1 1 374.407 2.557 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(CC)CC ZINC001339598598 1056623496 /nfs/dbraw/zinc/62/34/96/1056623496.db2.gz WOUJWNJVWLWURA-UHFFFAOYSA-N -1 1 351.414 2.535 20 30 FFEDMM C=CCSc1ccccc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001454254816 1059470504 /nfs/dbraw/zinc/47/05/04/1059470504.db2.gz LCOVORVJRXNAJC-INIZCTEOSA-N -1 1 351.435 2.997 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(Cc1ccccc1OC)C1CC1 ZINC001520433724 1059683560 /nfs/dbraw/zinc/68/35/60/1059683560.db2.gz UCACXTVLBLBFJM-UHFFFAOYSA-N -1 1 366.425 2.737 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)C[C@H](C)c1nccs1 ZINC001515757573 1059783441 /nfs/dbraw/zinc/78/34/41/1059783441.db2.gz JWAROTBEAHNGJS-NSHDSACASA-N -1 1 359.459 2.646 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001520596498 1059855068 /nfs/dbraw/zinc/85/50/68/1059855068.db2.gz PAUMAYZAVPNHRP-CYBMUJFWSA-N -1 1 355.780 2.528 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@](F)(C#N)C1 ZINC001515895821 1059869464 /nfs/dbraw/zinc/86/94/64/1059869464.db2.gz MOGGLNUXHULFGW-INIZCTEOSA-N -1 1 362.796 2.717 20 30 FFEDMM N#Cc1c(N)sc2c1CCN(C(=O)c1c([O-])cnc3c(F)cccc31)C2 ZINC001456738754 1060185525 /nfs/dbraw/zinc/18/55/25/1060185525.db2.gz CPMYNHBDXQITKG-UHFFFAOYSA-N -1 1 368.393 2.793 20 30 FFEDMM CC(C)(C)OCc1cc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)no1 ZINC001458042183 1060497896 /nfs/dbraw/zinc/49/78/96/1060497896.db2.gz IDEJUVZGFNGEGW-UHFFFAOYSA-N -1 1 366.381 2.899 20 30 FFEDMM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1Cl)c1ccccc1F ZINC001475456201 1061098580 /nfs/dbraw/zinc/09/85/80/1061098580.db2.gz BGOVXWFYDVAPSI-MGPLVRAMSA-N -1 1 368.817 2.751 20 30 FFEDMM CC[C@H](C)Oc1cc(C)ccc1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001576685680 1078260442 /nfs/dbraw/zinc/26/04/42/1078260442.db2.gz STPYHLKUIFCDFB-LBPRGKRZSA-N -1 1 364.413 2.626 20 30 FFEDMM CC[C@H](C)Oc1cc(C)ccc1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001576685680 1078260448 /nfs/dbraw/zinc/26/04/48/1078260448.db2.gz STPYHLKUIFCDFB-LBPRGKRZSA-N -1 1 364.413 2.626 20 30 FFEDMM C=CCN(Cc1ccccc1F)C(=O)c1nc[n-]c(=O)c1Br ZINC001583067474 1079161871 /nfs/dbraw/zinc/16/18/71/1079161871.db2.gz NLPZWISXXGPPAT-UHFFFAOYSA-N -1 1 366.190 2.912 20 30 FFEDMM CC[C@H](C#N)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001584460983 1079354330 /nfs/dbraw/zinc/35/43/30/1079354330.db2.gz PPARTEVENSQSEV-CQSZACIVSA-N -1 1 357.435 2.653 20 30 FFEDMM C=CCC[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)OCC ZINC001556642178 1075761333 /nfs/dbraw/zinc/76/13/33/1075761333.db2.gz DJPBNCAPKPSPSC-GFCCVEGCSA-N -1 1 356.216 2.782 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC001558491935 1076016287 /nfs/dbraw/zinc/01/62/87/1076016287.db2.gz WAZFGVBGNRZJNV-SWLSCSKDSA-N -1 1 359.426 2.687 20 30 FFEDMM COc1cncc(S(=O)(=O)[N-][C@@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC001561861155 1076435405 /nfs/dbraw/zinc/43/54/05/1076435405.db2.gz MPZJYRMOFNIWSI-AWEZNQCLSA-N -1 1 371.340 2.544 20 30 FFEDMM C[C@H]1Cc2cc(C[N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)ccc2O1 ZINC001561903922 1076441760 /nfs/dbraw/zinc/44/17/60/1076441760.db2.gz DPDYVDINOSOOIM-JTQLQIEISA-N -1 1 364.373 2.638 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@H]23)cc1Br ZINC001562007050 1076464530 /nfs/dbraw/zinc/46/45/30/1076464530.db2.gz XGIGBZGNFDJAKB-GMOODISLSA-N -1 1 373.247 2.927 20 30 FFEDMM C=C(C)CCC(=O)N[C@@H](C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588415740 1080019389 /nfs/dbraw/zinc/01/93/89/1080019389.db2.gz PPEPYCNIQAEMRD-IUCAKERBSA-N -1 1 369.882 2.638 20 30 FFEDMM C=C(C)CCC(=O)N[C@@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588415740 1080019398 /nfs/dbraw/zinc/01/93/98/1080019398.db2.gz PPEPYCNIQAEMRD-IUCAKERBSA-N -1 1 369.882 2.638 20 30 FFEDMM C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc([O-])c(F)c1 ZINC001588647677 1080137932 /nfs/dbraw/zinc/13/79/32/1080137932.db2.gz BQMRWKFNFXRFMY-UHFFFAOYSA-N -1 1 353.357 2.540 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589341586 1080489870 /nfs/dbraw/zinc/48/98/70/1080489870.db2.gz HVZFLUNQWPWWSN-DLBZAZTESA-N -1 1 357.454 2.899 20 30 FFEDMM CC(C)CCn1ncc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)c1C(C)C ZINC001589614539 1080636411 /nfs/dbraw/zinc/63/64/11/1080636411.db2.gz VPUHAJVKNWUTOU-UHFFFAOYSA-N -1 1 366.433 2.638 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCC[C@H]2[C@@H]2CCOC2)o1 ZINC001589773511 1080729368 /nfs/dbraw/zinc/72/93/68/1080729368.db2.gz JLJNXBKMQLITQN-NEPJUHHUSA-N -1 1 359.434 2.973 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2nccn2-c2ccccc2)o1 ZINC001589774256 1080730649 /nfs/dbraw/zinc/73/06/49/1080730649.db2.gz VKIPTJCRXRPRMD-UHFFFAOYSA-N -1 1 363.385 2.610 20 30 FFEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@@H](c2ccccc2)C1 ZINC001590210414 1081095004 /nfs/dbraw/zinc/09/50/04/1081095004.db2.gz TVIKDIMSFPAFNL-AEGPPILISA-N -1 1 360.425 2.913 20 30 FFEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@@H](c2ccccc2)C1 ZINC001590210414 1081095012 /nfs/dbraw/zinc/09/50/12/1081095012.db2.gz TVIKDIMSFPAFNL-AEGPPILISA-N -1 1 360.425 2.913 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000287887889 257126471 /nfs/dbraw/zinc/12/64/71/257126471.db2.gz REGWEAGTJOLVQE-ZFWWWQNUSA-N -1 1 370.789 2.752 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CC23CCOCC3)o1 ZINC000289713697 257294956 /nfs/dbraw/zinc/29/49/56/257294956.db2.gz WWSXDXPBGNBDSW-KRWDZBQOSA-N -1 1 358.419 2.524 20 30 FFEDMM N#Cc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000290255166 257322357 /nfs/dbraw/zinc/32/23/57/257322357.db2.gz UPKMVVONMXWTEZ-JTQLQIEISA-N -1 1 372.322 2.620 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000371018843 512180002 /nfs/dbraw/zinc/18/00/02/512180002.db2.gz ZFUQVWBAENWTPL-UHFFFAOYSA-N -1 1 370.430 2.547 20 30 FFEDMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cn1 ZINC000410331110 512240511 /nfs/dbraw/zinc/24/05/11/512240511.db2.gz TTWYNUVRBZPVLF-UHFFFAOYSA-N -1 1 370.356 2.839 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)ccc1Cl ZINC000410368956 512246512 /nfs/dbraw/zinc/24/65/12/512246512.db2.gz QLUBLURGYFBSPD-UHFFFAOYSA-N -1 1 370.217 2.765 20 30 FFEDMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000055639668 506809471 /nfs/dbraw/zinc/80/94/71/506809471.db2.gz CCEKYTNCPMEHSI-UHFFFAOYSA-N -1 1 357.435 2.745 20 30 FFEDMM N#CC(=C([O-])c1sccc1-n1cnnn1)c1ccc(C(F)(F)F)cn1 ZINC000048829884 507568901 /nfs/dbraw/zinc/56/89/01/507568901.db2.gz AEPUVRGSIVWWFN-VIFPVBQESA-N -1 1 364.312 2.628 20 30 FFEDMM CC(=O)N[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(C)cc1 ZINC000026252632 507572480 /nfs/dbraw/zinc/57/24/80/507572480.db2.gz YVNAMYQCACSVFD-LLVKDONJSA-N -1 1 355.320 2.987 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CC#N)cc2)cc1 ZINC000064333138 507790851 /nfs/dbraw/zinc/79/08/51/507790851.db2.gz TWVNBHTVWBFRQB-AWEZNQCLSA-N -1 1 357.435 2.828 20 30 FFEDMM N#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000109006888 507931459 /nfs/dbraw/zinc/93/14/59/507931459.db2.gz ZXPCEUWABNGGJA-UHFFFAOYSA-N -1 1 355.419 2.616 20 30 FFEDMM Cc1cccc([C@@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)NC(N)=O)c1 ZINC000073914585 507966844 /nfs/dbraw/zinc/96/68/44/507966844.db2.gz JJLFKTTYAWBYTO-SECBINFHSA-N -1 1 356.308 2.520 20 30 FFEDMM C=C(C)COc1cccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000104895040 508350684 /nfs/dbraw/zinc/35/06/84/508350684.db2.gz KHKNZTHGDXEIOJ-UHFFFAOYSA-N -1 1 366.421 2.776 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(C#N)CC2)cc1 ZINC000115153616 508371932 /nfs/dbraw/zinc/37/19/32/508371932.db2.gz JQWCJPVXLSSFCT-UHFFFAOYSA-N -1 1 355.419 2.582 20 30 FFEDMM C[C@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000121888629 508441613 /nfs/dbraw/zinc/44/16/13/508441613.db2.gz IGCHMWANQLEIAD-GJZGRUSLSA-N -1 1 371.462 2.973 20 30 FFEDMM N#Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000134617829 508552032 /nfs/dbraw/zinc/55/20/32/508552032.db2.gz NIODGSUVQHIREO-UHFFFAOYSA-N -1 1 362.382 2.905 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1Cl ZINC000157922848 508633012 /nfs/dbraw/zinc/63/30/12/508633012.db2.gz BRXPGHIDVMKSKI-UHFFFAOYSA-N -1 1 361.810 2.897 20 30 FFEDMM CC#CCNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000135977737 508662594 /nfs/dbraw/zinc/66/25/94/508662594.db2.gz KIFQNPPNNWWYPC-UHFFFAOYSA-N -1 1 371.462 2.652 20 30 FFEDMM C=C(C)COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000136130768 508672845 /nfs/dbraw/zinc/67/28/45/508672845.db2.gz TYVHPBBQTPXFQU-UHFFFAOYSA-N -1 1 374.462 2.810 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)C#N)cc2)ccc1F ZINC000125740471 509023786 /nfs/dbraw/zinc/02/37/86/509023786.db2.gz BFGBRUXABUNJMQ-LBPRGKRZSA-N -1 1 361.398 2.577 20 30 FFEDMM COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000187969163 510526688 /nfs/dbraw/zinc/52/66/88/510526688.db2.gz IAVRLEOXNNPQCY-AWEZNQCLSA-N -1 1 351.406 2.529 20 30 FFEDMM CCCCCCCS(=O)(=O)[N-]c1cn(C)cc(Br)c1=O ZINC000194805563 510535643 /nfs/dbraw/zinc/53/56/43/510535643.db2.gz PYFXFAWAWGLNNU-UHFFFAOYSA-N -1 1 365.293 2.860 20 30 FFEDMM C=CCOc1c(Br)cc(CN2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000263402686 510693413 /nfs/dbraw/zinc/69/34/13/510693413.db2.gz IQGOQQPARSVAOD-GFCCVEGCSA-N -1 1 370.243 2.929 20 30 FFEDMM C#CCN(Cc1ccccc1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000286376764 511024941 /nfs/dbraw/zinc/02/49/41/511024941.db2.gz LUDOAXDHEYDBJP-UHFFFAOYSA-N -1 1 355.463 2.807 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(N(C)C)cc2C(F)(F)F)c(=O)o1 ZINC000279989344 511293101 /nfs/dbraw/zinc/29/31/01/511293101.db2.gz GMYFTRIJCPHLSY-BIENSFFJSA-N -1 1 367.323 3.000 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3cn(C4CCCC4)nc32)o1 ZINC000376326564 512768741 /nfs/dbraw/zinc/76/87/41/512768741.db2.gz AYLDZQOALBCALJ-HNNXBMFYSA-N -1 1 360.439 2.819 20 30 FFEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1-n1cnc(C#N)n1 ZINC000368170902 512831008 /nfs/dbraw/zinc/83/10/08/512831008.db2.gz KLTBCQUPYSRBFF-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM N#C[C@H]1CC[C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000424969196 513346995 /nfs/dbraw/zinc/34/69/95/513346995.db2.gz IOEOUJGQKJNCCX-GOEBONIOSA-N -1 1 369.446 2.909 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)ccc1C#N ZINC000435757240 513679103 /nfs/dbraw/zinc/67/91/03/513679103.db2.gz YTFQHCLSCBBPKT-UHFFFAOYSA-N -1 1 352.419 2.912 20 30 FFEDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000436169719 513781397 /nfs/dbraw/zinc/78/13/97/513781397.db2.gz LOKJOCRIJHLKQF-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442962153 513828946 /nfs/dbraw/zinc/82/89/46/513828946.db2.gz BXRXMVJBSKZTRB-UHFFFAOYSA-N -1 1 358.369 2.571 20 30 FFEDMM COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442980088 513834287 /nfs/dbraw/zinc/83/42/87/513834287.db2.gz HCWNHYCBKDMGOR-UHFFFAOYSA-N -1 1 368.433 2.994 20 30 FFEDMM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000443285565 513921229 /nfs/dbraw/zinc/92/12/29/513921229.db2.gz OFJBHGVVBKFOMX-LLVKDONJSA-N -1 1 364.361 2.813 20 30 FFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000443413985 513964507 /nfs/dbraw/zinc/96/45/07/513964507.db2.gz BJETZKJNZSEZLD-UHFFFAOYSA-N -1 1 369.450 2.797 20 30 FFEDMM Cn1ccc2c([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cccc2c1=O ZINC000443530761 513987243 /nfs/dbraw/zinc/98/72/43/513987243.db2.gz OQQCGQAEDPZOJK-UHFFFAOYSA-N -1 1 373.821 2.864 20 30 FFEDMM CCOc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1OC ZINC000427098564 514115029 /nfs/dbraw/zinc/11/50/29/514115029.db2.gz BMDHITKUZQJPPI-UHFFFAOYSA-N -1 1 350.371 2.905 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1F ZINC000427111856 514119855 /nfs/dbraw/zinc/11/98/55/514119855.db2.gz WQPVROMIGJRXJM-UHFFFAOYSA-N -1 1 359.382 2.847 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)OCC ZINC000451997146 514121957 /nfs/dbraw/zinc/12/19/57/514121957.db2.gz QSBOCXJRNXJWEO-AWEZNQCLSA-N -1 1 363.838 2.796 20 30 FFEDMM N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000452556811 514401420 /nfs/dbraw/zinc/40/14/20/514401420.db2.gz NEHNRGXQMQVIQJ-ONGXEEELSA-N -1 1 370.190 2.809 20 30 FFEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000470574715 514533007 /nfs/dbraw/zinc/53/30/07/514533007.db2.gz QDBCQXZMDCHWBI-QGZVFWFLSA-N -1 1 357.435 2.765 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)ccc1C ZINC000507916803 514611003 /nfs/dbraw/zinc/61/10/03/514611003.db2.gz DPBFUFDMSIPUDO-UHFFFAOYSA-N -1 1 373.434 2.886 20 30 FFEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1csc(=NC2CC2)[n-]1 ZINC000476714589 515169739 /nfs/dbraw/zinc/16/97/39/515169739.db2.gz SQHKCEMTTXUBHQ-UHFFFAOYSA-N -1 1 365.380 2.940 20 30 FFEDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C#Cc3ccccc3)c2)c[nH]1 ZINC000509647077 515271081 /nfs/dbraw/zinc/27/10/81/515271081.db2.gz UJPHZPFVDNDLRM-UHFFFAOYSA-N -1 1 366.398 2.914 20 30 FFEDMM C=CCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000472690157 515366395 /nfs/dbraw/zinc/36/63/95/515366395.db2.gz ZPJDCGPZJHEKLN-UHFFFAOYSA-N -1 1 363.233 2.992 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000547871625 516610295 /nfs/dbraw/zinc/61/02/95/516610295.db2.gz AZHOEMXOWUZVDT-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(COCc3ccco3)c2)o1 ZINC000561485374 516611881 /nfs/dbraw/zinc/61/18/81/516611881.db2.gz PABLXIWDWOIKLK-UHFFFAOYSA-N -1 1 372.402 2.940 20 30 FFEDMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)ccc2NC1=O ZINC000514698775 517010068 /nfs/dbraw/zinc/01/00/68/517010068.db2.gz IBKXREJDKRJWLY-UHFFFAOYSA-N -1 1 359.382 2.728 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1cccc(C#N)c1 ZINC000519515972 517019733 /nfs/dbraw/zinc/01/97/33/517019733.db2.gz IOLXOSOHORBUKG-UHFFFAOYSA-N -1 1 373.416 2.673 20 30 FFEDMM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000542235019 517452526 /nfs/dbraw/zinc/45/25/26/517452526.db2.gz PUGCWUKROUPSGS-UHFFFAOYSA-N -1 1 374.418 2.609 20 30 FFEDMM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cncc([O-])c3)ccc21 ZINC000530356270 517724843 /nfs/dbraw/zinc/72/48/43/517724843.db2.gz JOEBTCSBOQGOQD-UHFFFAOYSA-N -1 1 350.378 2.622 20 30 FFEDMM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2)o1 ZINC000539587129 518112095 /nfs/dbraw/zinc/11/20/95/518112095.db2.gz TUPHGRWVKBUNJN-OAHLLOKOSA-N -1 1 363.377 2.780 20 30 FFEDMM C=CC[C@H](CC)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000569863943 518330216 /nfs/dbraw/zinc/33/02/16/518330216.db2.gz GWYYASNBJNKEDX-JTQLQIEISA-N -1 1 365.282 2.743 20 30 FFEDMM Cc1nnc(-c2cc(F)ccc2[N-]S(=O)(=O)CCC(C)(C)C#N)o1 ZINC000579126274 518534776 /nfs/dbraw/zinc/53/47/76/518534776.db2.gz LCBQFIBYLMEDHF-UHFFFAOYSA-N -1 1 352.391 2.866 20 30 FFEDMM Cc1nn(-c2ccccc2)cc1CCC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000588110681 518728508 /nfs/dbraw/zinc/72/85/08/518728508.db2.gz QHINZRKTPZCYTQ-UHFFFAOYSA-N -1 1 370.434 2.557 20 30 FFEDMM COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000565242103 518858628 /nfs/dbraw/zinc/85/86/28/518858628.db2.gz ZWGDZCSWGAQRDH-ZDUSSCGKSA-N -1 1 372.450 2.927 20 30 FFEDMM N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000577007681 518870160 /nfs/dbraw/zinc/87/01/60/518870160.db2.gz ZPMABQITCYOWPZ-HNNXBMFYSA-N -1 1 370.409 2.602 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2nc(-c3ccncc3)cs2)c1 ZINC000589175815 518940113 /nfs/dbraw/zinc/94/01/13/518940113.db2.gz ZYIUQQBOAWGKTA-UHFFFAOYSA-N -1 1 350.403 2.755 20 30 FFEDMM COc1ccccc1N1CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589175043 518940991 /nfs/dbraw/zinc/94/09/91/518940991.db2.gz BQTPZKAQONFXON-UHFFFAOYSA-N -1 1 351.406 2.671 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)CC3(C#N)CCC3)CCCCCC2)no1 ZINC000589217368 518954738 /nfs/dbraw/zinc/95/47/38/518954738.db2.gz GKMQJAFZYCMIAJ-UHFFFAOYSA-N -1 1 352.460 2.541 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c(Cl)c1 ZINC000580055673 518984595 /nfs/dbraw/zinc/98/45/95/518984595.db2.gz HYBFBLVUAXRSKJ-UHFFFAOYSA-N -1 1 350.709 2.754 20 30 FFEDMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC3(C#N)CCC3)n2)cc1 ZINC000572050124 519417062 /nfs/dbraw/zinc/41/70/62/519417062.db2.gz YSZHANFEONLLNS-CYBMUJFWSA-N -1 1 374.466 2.973 20 30 FFEDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)n1 ZINC000594754026 520135608 /nfs/dbraw/zinc/13/56/08/520135608.db2.gz XWBMSQWYHSAZQM-SECBINFHSA-N -1 1 362.436 2.812 20 30 FFEDMM C=CCCC1(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCCC1 ZINC000594798638 520162395 /nfs/dbraw/zinc/16/23/95/520162395.db2.gz IKFALTPRHMZGMZ-UHFFFAOYSA-N -1 1 356.448 2.616 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603835298 520372299 /nfs/dbraw/zinc/37/22/99/520372299.db2.gz ZJNXBAIRYDBCRC-NSHDSACASA-N -1 1 364.317 2.700 20 30 FFEDMM N#Cc1ccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)c(C(F)(F)F)c1 ZINC000595464053 520486676 /nfs/dbraw/zinc/48/66/76/520486676.db2.gz FNNXLIRHLBASJN-UHFFFAOYSA-N -1 1 351.332 2.780 20 30 FFEDMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000610057128 520517961 /nfs/dbraw/zinc/51/79/61/520517961.db2.gz AAEDBOZRCZVGJI-UHFFFAOYSA-N -1 1 367.789 2.511 20 30 FFEDMM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)c1 ZINC000613501613 520531204 /nfs/dbraw/zinc/53/12/04/520531204.db2.gz OPJTUAJURZDFJS-UHFFFAOYSA-N -1 1 367.380 2.894 20 30 FFEDMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593197625 520820753 /nfs/dbraw/zinc/82/07/53/520820753.db2.gz QUGSXOVJPCXQFC-UHFFFAOYSA-N -1 1 371.462 2.990 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCOc2cccc(Br)c2)c1 ZINC000614297202 520897208 /nfs/dbraw/zinc/89/72/08/520897208.db2.gz WJYHIUCFOSIRNL-UHFFFAOYSA-N -1 1 361.195 2.835 20 30 FFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000614300577 520898083 /nfs/dbraw/zinc/89/80/83/520898083.db2.gz LAKAYHMJAZTHDQ-JTQLQIEISA-N -1 1 352.325 2.944 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c1 ZINC000614366812 520927412 /nfs/dbraw/zinc/92/74/12/520927412.db2.gz FKLPYXHXSXNLLU-INIZCTEOSA-N -1 1 371.393 2.557 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)c1 ZINC000619820100 521892170 /nfs/dbraw/zinc/89/21/70/521892170.db2.gz FINVKXCJGMRUHN-UHFFFAOYSA-N -1 1 359.389 2.649 20 30 FFEDMM C=C(C)C[C@H](C)C(=O)N=c1[nH][n-]c(C)c1C(=O)Nc1ccccc1OC ZINC000633915999 523062607 /nfs/dbraw/zinc/06/26/07/523062607.db2.gz NVHOEFBSPKBPGJ-LBPRGKRZSA-N -1 1 356.426 2.942 20 30 FFEDMM C=CCCC(C)(C)CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000633965100 523097680 /nfs/dbraw/zinc/09/76/80/523097680.db2.gz XZWXCZXXOJSQFD-UHFFFAOYSA-N -1 1 354.454 2.791 20 30 FFEDMM N#Cc1ccc(-c2cccc(CNc3nccnc3-c3nnn[n-]3)c2)s1 ZINC000737708746 598854794 /nfs/dbraw/zinc/85/47/94/598854794.db2.gz GNJAJRZQWQSKGA-UHFFFAOYSA-N -1 1 360.406 2.869 20 30 FFEDMM N#Cc1ccc(-c2cccc(CNc3nccnc3-c3nn[n-]n3)c2)s1 ZINC000737708746 598854795 /nfs/dbraw/zinc/85/47/95/598854795.db2.gz GNJAJRZQWQSKGA-UHFFFAOYSA-N -1 1 360.406 2.869 20 30 FFEDMM COc1cccc(F)c1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000737132677 599149219 /nfs/dbraw/zinc/14/92/19/599149219.db2.gz PWWYVCDNFFTNQM-UHFFFAOYSA-N -1 1 359.365 2.962 20 30 FFEDMM CCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)c1c(C)nn(C)c1C ZINC000736301839 599149864 /nfs/dbraw/zinc/14/98/64/599149864.db2.gz CMRLFGLBPZTLRH-UHFFFAOYSA-N -1 1 371.449 2.630 20 30 FFEDMM N#CCCn1cc(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c2ccccc21 ZINC000739075679 600288430 /nfs/dbraw/zinc/28/84/30/600288430.db2.gz LMBSTOOYKGOOAD-QGZVFWFLSA-N -1 1 365.433 2.924 20 30 FFEDMM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000736571645 600373230 /nfs/dbraw/zinc/37/32/30/600373230.db2.gz MDEUYCSCQSFRIK-RYUDHWBXSA-N -1 1 363.483 2.868 20 30 FFEDMM COc1ccc(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1F ZINC000832384069 601551656 /nfs/dbraw/zinc/55/16/56/601551656.db2.gz RUFFADMYNWEQPO-LJQANCHMSA-N -1 1 369.396 2.654 20 30 FFEDMM Cc1cc[nH]c2nc([C@@H](C#N)C(=O)c3ccc(F)c(NC(=O)[O-])c3)nc1-2 ZINC000830610868 604189822 /nfs/dbraw/zinc/18/98/22/604189822.db2.gz CVOPISFSZHHGSU-JTQLQIEISA-N -1 1 353.313 2.985 20 30 FFEDMM N#Cc1ccc(NC(=O)CN(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000833073017 604802177 /nfs/dbraw/zinc/80/21/77/604802177.db2.gz DFLJTTJBIQAEET-UHFFFAOYSA-N -1 1 351.406 2.864 20 30 FFEDMM N#CCCn1cc(CN2CCC[C@H](NC(=O)[O-])C2)c(-c2ccccc2)n1 ZINC000833965961 605487253 /nfs/dbraw/zinc/48/72/53/605487253.db2.gz WKRGBDBYNCOKRF-KRWDZBQOSA-N -1 1 353.426 2.696 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833402886 605598437 /nfs/dbraw/zinc/59/84/37/605598437.db2.gz ZJTGCGHWACEGNC-SNVBAGLBSA-N -1 1 364.354 2.616 20 30 FFEDMM O=C([O-])NC[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000834216748 605641539 /nfs/dbraw/zinc/64/15/39/605641539.db2.gz AEHVMINXFDLVKS-CQSZACIVSA-N -1 1 356.344 2.916 20 30 FFEDMM N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000826386883 607770566 /nfs/dbraw/zinc/77/05/66/607770566.db2.gz WSABQHGDYHAZHB-UHFFFAOYSA-N -1 1 374.389 2.509 20 30 FFEDMM N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000826386883 607770567 /nfs/dbraw/zinc/77/05/67/607770567.db2.gz WSABQHGDYHAZHB-UHFFFAOYSA-N -1 1 374.389 2.509 20 30 FFEDMM N#Cc1ccc(-c2ccn(CN3CCC4(C3)CCN(C(=O)[O-])CC4)n2)cc1 ZINC000833975502 605866105 /nfs/dbraw/zinc/86/61/05/605866105.db2.gz YBBAUNQWPKBYLU-UHFFFAOYSA-N -1 1 365.437 2.845 20 30 FFEDMM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821694019 606390527 /nfs/dbraw/zinc/39/05/27/606390527.db2.gz ZJNGDZPCZLNEDI-ALCCZGGFSA-N -1 1 374.397 2.989 20 30 FFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1NC(C)=O ZINC000821770029 606390595 /nfs/dbraw/zinc/39/05/95/606390595.db2.gz NPOIISSPDSZNKL-XQRVVYSFSA-N -1 1 369.406 2.791 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000823530321 606391495 /nfs/dbraw/zinc/39/14/95/606391495.db2.gz JDXNLDURBOIFTE-UTCJRWHESA-N -1 1 351.391 2.709 20 30 FFEDMM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000823973941 609405862 /nfs/dbraw/zinc/40/58/62/609405862.db2.gz MSCFKBKAXADAQN-JYRVWZFOSA-N -1 1 365.418 2.557 20 30 FFEDMM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111666861 728537755 /nfs/dbraw/zinc/53/77/55/728537755.db2.gz GHXHSNBFCABFSI-UHFFFAOYSA-N -1 1 366.826 2.762 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000132320426 728724231 /nfs/dbraw/zinc/72/42/31/728724231.db2.gz MPSOQTULOGCOBM-UHFFFAOYSA-N -1 1 364.354 2.855 20 30 FFEDMM C#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000172933337 729036056 /nfs/dbraw/zinc/03/60/56/729036056.db2.gz XEJIYSNHYWDXLW-UHFFFAOYSA-N -1 1 360.410 2.770 20 30 FFEDMM CC#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000180830396 729226088 /nfs/dbraw/zinc/22/60/88/729226088.db2.gz URPNRHLXMHDNAA-UHFFFAOYSA-N -1 1 365.357 2.946 20 30 FFEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000859424316 730454360 /nfs/dbraw/zinc/45/43/60/730454360.db2.gz PBVGYHXBFVAMTF-VIFPVBQESA-N -1 1 354.230 2.839 20 30 FFEDMM COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866357494 731051778 /nfs/dbraw/zinc/05/17/78/731051778.db2.gz HZVYISHIWDWJKP-LBPRGKRZSA-N -1 1 360.435 2.990 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)OCC ZINC000867589537 731203352 /nfs/dbraw/zinc/20/33/52/731203352.db2.gz QAAJDXXKXFYFRM-QMMMGPOBSA-N -1 1 357.762 2.570 20 30 FFEDMM Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000870288771 731492324 /nfs/dbraw/zinc/49/23/24/731492324.db2.gz XSTMDJSFRXEVAY-JQWIXIFHSA-N -1 1 350.300 3.000 20 30 FFEDMM O=S(=O)([N-]CCOC(F)(F)C(F)(F)F)c1ccc(C(F)F)o1 ZINC000872560967 731791240 /nfs/dbraw/zinc/79/12/40/731791240.db2.gz NEVQAJGSRKHZEW-UHFFFAOYSA-N -1 1 359.219 2.667 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2sccc2Cl)cc1 ZINC000782220263 738699690 /nfs/dbraw/zinc/69/96/90/738699690.db2.gz UGZAUIYZISLMIH-UHFFFAOYSA-N -1 1 359.816 2.763 20 30 FFEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000736341758 734982895 /nfs/dbraw/zinc/98/28/95/734982895.db2.gz BTQLCPNVCOTWKI-UHFFFAOYSA-N -1 1 358.616 2.628 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc([S@@](=O)C(F)(F)F)cc2)cc1 ZINC000748673062 735663231 /nfs/dbraw/zinc/66/32/31/735663231.db2.gz IRNIADOMHCWJJB-HSZRJFAPSA-N -1 1 374.365 2.986 20 30 FFEDMM COc1ccc(NC(=S)NN=C(C)c2cc(F)cc(F)c2[O-])cn1 ZINC000757465313 736406471 /nfs/dbraw/zinc/40/64/71/736406471.db2.gz LVLZHOLAMMFICI-UHFFFAOYSA-N -1 1 352.366 2.785 20 30 FFEDMM Cc1oc2ccccc2c1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000758117754 736453805 /nfs/dbraw/zinc/45/38/05/736453805.db2.gz NFBILABSKXNZNU-UHFFFAOYSA-N -1 1 359.363 2.962 20 30 FFEDMM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(C#N)cc2F)c1C ZINC000769441867 737529923 /nfs/dbraw/zinc/52/99/23/737529923.db2.gz SNPCQBLBIAUMOE-UHFFFAOYSA-N -1 1 366.370 2.587 20 30 FFEDMM C[C@H](C#N)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000770936066 737676261 /nfs/dbraw/zinc/67/62/61/737676261.db2.gz HOMLYOQBQSYOOD-GFCCVEGCSA-N -1 1 362.382 2.943 20 30 FFEDMM CCCCCCCCN1C(=O)C(=CNc2cccnc2)C(=O)[N-]C1=S ZINC000920979826 737937800 /nfs/dbraw/zinc/93/78/00/737937800.db2.gz YCHZQPAUCSMJEM-SQFISAMPSA-N -1 1 360.483 2.981 20 30 FFEDMM CC(C)(C#N)[C@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000814822045 741867942 /nfs/dbraw/zinc/86/79/42/741867942.db2.gz FPHLPAOLBBFUHF-AWEZNQCLSA-N -1 1 364.427 2.720 20 30 FFEDMM O=S1(=O)CCC(NN=Cc2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000776792438 738233570 /nfs/dbraw/zinc/23/35/70/738233570.db2.gz HFSQXDVEZAFECP-UHFFFAOYSA-N -1 1 352.843 2.700 20 30 FFEDMM Cc1cccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1OC(F)F ZINC000777881548 738328409 /nfs/dbraw/zinc/32/84/09/738328409.db2.gz FCJSXNRADXQFDY-UHFFFAOYSA-N -1 1 365.361 2.669 20 30 FFEDMM CN(C)S(=O)(=O)c1ccccc1NN=Cc1ccc([O-])c(Cl)c1 ZINC000793193046 739750778 /nfs/dbraw/zinc/75/07/78/739750778.db2.gz HEMWOPZKVPJNEU-UHFFFAOYSA-N -1 1 353.831 2.742 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(C)cc1F ZINC000793391801 739775973 /nfs/dbraw/zinc/77/59/73/739775973.db2.gz CRRFAJJYLQAAMG-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM C=CCC(C)(C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000796475156 740145963 /nfs/dbraw/zinc/14/59/63/740145963.db2.gz XJMWUIMLOQDUFC-UHFFFAOYSA-N -1 1 355.337 2.690 20 30 FFEDMM CCOC(=O)C1(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)CCOCC1 ZINC000802833801 740736246 /nfs/dbraw/zinc/73/62/46/740736246.db2.gz WRPSZPVHTJUJNB-LBPRGKRZSA-N -1 1 364.467 2.977 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)ccc1F ZINC000811833574 741565282 /nfs/dbraw/zinc/56/52/82/741565282.db2.gz IYYDPQVILVMLDS-UHFFFAOYSA-N -1 1 366.345 2.814 20 30 FFEDMM O=c1nc(N=NC2CC(c3ccc(Br)cc3)C2)nc2[nH][n-]cc1-2 ZINC000814843252 741869736 /nfs/dbraw/zinc/86/97/36/741869736.db2.gz QGOWYHBMFAYTRH-UHFFFAOYSA-N -1 1 373.214 2.540 20 30 FFEDMM Cc1cc(Cl)cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000814863516 741870991 /nfs/dbraw/zinc/87/09/91/741870991.db2.gz RALNWZQNYHLGBU-UHFFFAOYSA-N -1 1 353.787 2.869 20 30 FFEDMM C=CCSCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815005569 741880937 /nfs/dbraw/zinc/88/09/37/741880937.db2.gz XPRZEFAMOICKQI-UHFFFAOYSA-N -1 1 354.812 2.585 20 30 FFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000823645675 742954713 /nfs/dbraw/zinc/95/47/13/742954713.db2.gz QBUNWWAXWRGVSM-LBPRGKRZSA-N -1 1 356.875 2.713 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830855324 745441413 /nfs/dbraw/zinc/44/14/13/745441413.db2.gz OWXBWZHBMUPYKN-UHFFFAOYSA-N -1 1 351.211 2.983 20 30 FFEDMM C=CCO[N-]C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000837047854 746355993 /nfs/dbraw/zinc/35/59/93/746355993.db2.gz JOJIZTVCWOPFPH-ZFWWWQNUSA-N -1 1 356.344 2.849 20 30 FFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nc2c(s1)CCC2 ZINC000842289713 747564150 /nfs/dbraw/zinc/56/41/50/747564150.db2.gz SJKOERYVPOZYES-LLVKDONJSA-N -1 1 355.419 2.992 20 30 FFEDMM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000844826563 748109398 /nfs/dbraw/zinc/10/93/98/748109398.db2.gz VVVRBSRONLHXDZ-SECBINFHSA-N -1 1 366.668 2.714 20 30 FFEDMM C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000851211499 749538308 /nfs/dbraw/zinc/53/83/08/749538308.db2.gz IZUPYBVQKRWSMS-NSHDSACASA-N -1 1 356.444 2.842 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H](O)c1ccc(Cl)cc1 ZINC000851862783 749708608 /nfs/dbraw/zinc/70/86/08/749708608.db2.gz GHEKOCDXOAXKOC-JKSUJKDBSA-N -1 1 368.842 2.841 20 30 FFEDMM O=c1nc(N=NC(CCC(F)(F)F)CCC(F)(F)F)nc2[nH][n-]cc1-2 ZINC000853304969 750045856 /nfs/dbraw/zinc/04/58/56/750045856.db2.gz JBWRUQRJCJKFKP-UHFFFAOYSA-N -1 1 370.257 2.885 20 30 FFEDMM C=C(C)CCC(=O)NCC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573293841 946969176 /nfs/dbraw/zinc/96/91/76/946969176.db2.gz LJMKSXAKPGLDHV-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=C(C)CCC(=O)NCC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573293841 946969185 /nfs/dbraw/zinc/96/91/85/946969185.db2.gz LJMKSXAKPGLDHV-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C[C@H](C#N)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001573587121 947298983 /nfs/dbraw/zinc/29/89/83/947298983.db2.gz WLUHUIVTHPZMOJ-LLVKDONJSA-N -1 1 366.356 2.782 20 30 FFEDMM C[C@H](C#N)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001573587121 947298993 /nfs/dbraw/zinc/29/89/93/947298993.db2.gz WLUHUIVTHPZMOJ-LLVKDONJSA-N -1 1 366.356 2.782 20 30 FFEDMM N#CC1(c2ccccn2)CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC001594602912 956152591 /nfs/dbraw/zinc/15/25/91/956152591.db2.gz UGHLSXNYZMACIS-UHFFFAOYSA-N -1 1 351.406 2.716 20 30 FFEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccn1 ZINC000136101170 970740726 /nfs/dbraw/zinc/74/07/26/970740726.db2.gz AEOYTJWKDIPMJS-CQSZACIVSA-N -1 1 356.389 2.953 20 30 FFEDMM Cn1cc(CN2CCC3(CN(C(=O)c4ccc([S-])cc4)C3)C2)cc1C#N ZINC001272017091 979755891 /nfs/dbraw/zinc/75/58/91/979755891.db2.gz MKAHJIZELCNPHG-UHFFFAOYSA-N -1 1 366.490 2.534 20 30 FFEDMM N#Cc1cccc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC000877596772 1014638442 /nfs/dbraw/zinc/63/84/42/1014638442.db2.gz SNKKFHWHWMHECD-OAHLLOKOSA-N -1 1 360.339 2.563 20 30 FFEDMM C=CCn1c(C2CCCC2)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908666056 981494122 /nfs/dbraw/zinc/49/41/22/981494122.db2.gz ZKDDBAATXNPHLX-AWEZNQCLSA-N -1 1 370.457 2.967 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)o1 ZINC000764914578 984802335 /nfs/dbraw/zinc/80/23/35/984802335.db2.gz GBYASAVAZJVNSN-PYUISTEWSA-N -1 1 356.374 2.870 20 30 FFEDMM C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001007358286 1015192141 /nfs/dbraw/zinc/19/21/41/1015192141.db2.gz XKICBNGGZLSMPD-XOBRGWDASA-N -1 1 357.454 2.500 20 30 FFEDMM C=C(C)C(=O)OC[C@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877646 987978302 /nfs/dbraw/zinc/97/83/02/987978302.db2.gz PMXFSKBDUQBCON-QMMMGPOBSA-N -1 1 360.160 2.950 20 30 FFEDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000762612446 988516041 /nfs/dbraw/zinc/51/60/41/988516041.db2.gz LKHVHQLSKBCZCH-WBMJQRKESA-N -1 1 359.426 2.639 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3ccncc3)cc2)c(=O)o1 ZINC000915981318 989719655 /nfs/dbraw/zinc/71/96/55/989719655.db2.gz PZXNGTLEHWMDRS-WWPOYFSUSA-N -1 1 363.369 2.889 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)cc1OC ZINC000916935421 990035960 /nfs/dbraw/zinc/03/59/60/990035960.db2.gz PIAASIRHHSLDMJ-CYBMUJFWSA-N -1 1 369.377 2.532 20 30 FFEDMM CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000804232448 991345680 /nfs/dbraw/zinc/34/56/80/991345680.db2.gz OIBIEULOZADREZ-MRXNPFEDSA-N -1 1 359.426 2.785 20 30 FFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000809688780 994581418 /nfs/dbraw/zinc/58/14/18/994581418.db2.gz PKMSPGNJKMJLJH-MLGOLLRUSA-N -1 1 359.426 2.639 20 30 FFEDMM C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593286489 994646083 /nfs/dbraw/zinc/64/60/83/994646083.db2.gz UGFQHMUQTGSNHV-XJKSGUPXSA-N -1 1 353.378 2.888 20 30 FFEDMM Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810196246 994728277 /nfs/dbraw/zinc/72/82/77/994728277.db2.gz XNEUNQSRKVKFIV-GFCCVEGCSA-N -1 1 368.359 2.789 20 30 FFEDMM C[C@](O)(C1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1)C(F)(F)F ZINC001593382347 995097243 /nfs/dbraw/zinc/09/72/43/995097243.db2.gz XKGLYLABAFQUJR-ZBFHGGJFSA-N -1 1 356.344 2.709 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccccc1OCc1ccccc1 ZINC000731155363 997717034 /nfs/dbraw/zinc/71/70/34/997717034.db2.gz FKWINPCSFWWHIC-UHFFFAOYSA-N -1 1 374.404 2.847 20 30 FFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001599347429 998033089 /nfs/dbraw/zinc/03/30/89/998033089.db2.gz GZUVJGBRXXQECG-UHFFFAOYSA-N -1 1 374.418 2.730 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2c(F)cc([O-])cc2F)[C@@H](C#N)C1 ZINC001144545082 998629454 /nfs/dbraw/zinc/62/94/54/998629454.db2.gz RNHHONJGVPRIQM-NSHDSACASA-N -1 1 353.369 2.615 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2c(F)cc([O-])cc2F)[C@H](C#N)C1 ZINC001144545081 998629548 /nfs/dbraw/zinc/62/95/48/998629548.db2.gz RNHHONJGVPRIQM-LLVKDONJSA-N -1 1 353.369 2.615 20 30 FFEDMM COc1cccc([C@H](C#N)NC(=O)Cc2ccc([O-])c(Cl)c2)c1OC ZINC001144585153 998666830 /nfs/dbraw/zinc/66/68/30/998666830.db2.gz JSDJOXHTQMTBFE-AWEZNQCLSA-N -1 1 360.797 2.986 20 30 FFEDMM COC(=O)c1ccc(NN=C(C)c2ccc(OCC(=O)[O-])cc2)c(OC)c1 ZINC001598984569 998688780 /nfs/dbraw/zinc/68/87/80/998688780.db2.gz RTZQZXCEAUGCCT-UHFFFAOYSA-N -1 1 372.377 2.781 20 30 FFEDMM COc1ccc([C@@H]2CCCCC2N=Nc2nc3[nH][n-]cc-3c(=O)n2)cc1F ZINC000732712246 998743253 /nfs/dbraw/zinc/74/32/53/998743253.db2.gz XILWHVZXBQWTGL-NSHDSACASA-N -1 1 370.388 2.705 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000734239355 999246387 /nfs/dbraw/zinc/24/63/87/999246387.db2.gz AWTFGIAJUPIKPL-LJQANCHMSA-N -1 1 355.442 2.573 20 30 FFEDMM CC(=O)c1csc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000741110877 999708559 /nfs/dbraw/zinc/70/85/59/999708559.db2.gz AZDURXQWBHHDKJ-CYBMUJFWSA-N -1 1 370.386 2.683 20 30 FFEDMM COC(=O)COc1c(C)cc(CN=Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000746482506 999998216 /nfs/dbraw/zinc/99/82/16/999998216.db2.gz AMUPFMAEIYGZKO-UHFFFAOYSA-N -1 1 356.378 2.999 20 30 FFEDMM COc1cccc(C2CCN(Cc3cc(=O)n4[n-]cc(C#N)c4n3)CC2)c1 ZINC001169299142 1000039037 /nfs/dbraw/zinc/03/90/37/1000039037.db2.gz BHOBQZCBOMAZNH-UHFFFAOYSA-N -1 1 363.421 2.695 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000768300817 1000202978 /nfs/dbraw/zinc/20/29/78/1000202978.db2.gz KCBRJSDRMDIQFV-FQEVSTJZSA-N -1 1 371.437 2.879 20 30 FFEDMM C=CCn1c(C)cc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC000769048912 1000412150 /nfs/dbraw/zinc/41/21/50/1000412150.db2.gz TZNUNWNYBWIDRJ-UHFFFAOYSA-N -1 1 358.350 2.944 20 30 FFEDMM CCOC(=O)C1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000769809624 1000608719 /nfs/dbraw/zinc/60/87/19/1000608719.db2.gz FDUQQJUXKMEDCA-UHFFFAOYSA-N -1 1 374.445 2.808 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1ccc[nH]c1=O ZINC001147174043 1000851816 /nfs/dbraw/zinc/85/18/16/1000851816.db2.gz CDPLFTYWQHLMLO-DJKKODMXSA-N -1 1 367.390 2.574 20 30 FFEDMM CN1CCN(c2ccc(/C=C\C(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000771529023 1001138387 /nfs/dbraw/zinc/13/83/87/1001138387.db2.gz RNWGKSQUZUHESR-YWEYNIOJSA-N -1 1 367.405 2.948 20 30 FFEDMM CC1(C)CC(=O)C=C(NC(=O)c2cc([O-])c(Br)c(O)c2)C1 ZINC001148995627 1001241334 /nfs/dbraw/zinc/24/13/34/1001241334.db2.gz DZBDZRHVUGMQDQ-UHFFFAOYSA-N -1 1 354.200 2.863 20 30 FFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000785540465 1001451345 /nfs/dbraw/zinc/45/13/45/1001451345.db2.gz KLJUEMWVZQOCMC-AWEZNQCLSA-N -1 1 351.406 2.591 20 30 FFEDMM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000785615915 1001462626 /nfs/dbraw/zinc/46/26/26/1001462626.db2.gz NXKOKVAEISWLQN-QWHCGFSZSA-N -1 1 359.426 2.639 20 30 FFEDMM CC(C)(C)OC(=O)N(CCCNC(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000785887307 1001495362 /nfs/dbraw/zinc/49/53/62/1001495362.db2.gz WPXVGKGEJAWDDZ-UHFFFAOYSA-N -1 1 359.426 2.783 20 30 FFEDMM COc1c([O-])c(C=NN(C)C(=S)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000773029243 1002274708 /nfs/dbraw/zinc/27/47/08/1002274708.db2.gz XFOYSKRDFPRHFV-UHFFFAOYSA-N -1 1 374.422 2.649 20 30 FFEDMM COc1c([O-])c(C=NNc2nnc(-c3ccccc3)n2C)ccc1[N+](=O)[O-] ZINC000773053066 1002542935 /nfs/dbraw/zinc/54/29/35/1002542935.db2.gz DDGNLVCAZZJFAJ-UHFFFAOYSA-N -1 1 368.353 2.551 20 30 FFEDMM C[C@]1(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)CCOC1 ZINC001184372833 1002599272 /nfs/dbraw/zinc/59/92/72/1002599272.db2.gz YMSNZSAJMRQNSM-WENWWWKYSA-N -1 1 358.423 2.587 20 30 FFEDMM COc1c([O-])c(C=NNCc2cnc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000773067627 1002727252 /nfs/dbraw/zinc/72/72/52/1002727252.db2.gz JCMYIJZDRUSRFL-UHFFFAOYSA-N -1 1 352.350 2.981 20 30 FFEDMM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2cnc(Cl)nc2)c1 ZINC001185052209 1002786966 /nfs/dbraw/zinc/78/69/66/1002786966.db2.gz GBLPITMNHWTMGK-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2nc(C#N)c(C#N)nc2Cl)ccc1Cl ZINC001185495769 1002968829 /nfs/dbraw/zinc/96/88/29/1002968829.db2.gz ADDFCPCZFIXMRR-UHFFFAOYSA-N -1 1 368.205 2.636 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(Br)n1 ZINC001185650199 1003013405 /nfs/dbraw/zinc/01/34/05/1003013405.db2.gz QFAVQUJMYICKLB-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM C=CCc1ccc(NC(=O)C(C)(C)C)c(Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001170226364 1003072750 /nfs/dbraw/zinc/07/27/50/1003072750.db2.gz JHUPMRHDZIUUJM-UHFFFAOYSA-N -1 1 367.413 2.910 20 30 FFEDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(F)cc(F)cc1C#N ZINC001185914245 1003129305 /nfs/dbraw/zinc/12/93/05/1003129305.db2.gz MUDOHASJRNJNLB-UHFFFAOYSA-N -1 1 352.318 2.644 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(-c3ccccc3)cc2)o1 ZINC000805064246 1003933239 /nfs/dbraw/zinc/93/32/39/1003933239.db2.gz KWOWIEWAEPURJL-GOSISDBHSA-N -1 1 368.414 2.830 20 30 FFEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)Nc1ccc(F)c(C#N)c1F ZINC001196729464 1003940525 /nfs/dbraw/zinc/94/05/25/1003940525.db2.gz NVNDHJMWQNWPDI-UHFFFAOYSA-N -1 1 357.363 2.522 20 30 FFEDMM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cc([O-])cc(F)c1F)CC2 ZINC001192664128 1004243712 /nfs/dbraw/zinc/24/37/12/1004243712.db2.gz KTSZSRLKVAVWKH-LJQANCHMSA-N -1 1 364.392 2.844 20 30 FFEDMM CC[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1O ZINC001193288279 1004440400 /nfs/dbraw/zinc/44/04/00/1004440400.db2.gz ILBDBPCIIJHNKA-CYBMUJFWSA-N -1 1 373.434 2.615 20 30 FFEDMM N#Cc1nc2ccc([N-]S(=O)(=O)c3ccc4nccnc4c3)cc2s1 ZINC001198148289 1004509026 /nfs/dbraw/zinc/50/90/26/1004509026.db2.gz LMKKUXLZYJLAQC-UHFFFAOYSA-N -1 1 367.415 2.912 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(Cl)cccc2CO)c1 ZINC001193680385 1004548109 /nfs/dbraw/zinc/54/81/09/1004548109.db2.gz LFVFBXODZLTUSO-UHFFFAOYSA-N -1 1 352.799 2.513 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cnnn1-c1ccccc1 ZINC000807981022 1004731039 /nfs/dbraw/zinc/73/10/39/1004731039.db2.gz BIFYEQPVBRRDRM-UHFFFAOYSA-N -1 1 351.366 2.810 20 30 FFEDMM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195456359 1004964285 /nfs/dbraw/zinc/96/42/85/1004964285.db2.gz WRSIGKBUKWHMQQ-LURJTMIESA-N -1 1 355.616 2.822 20 30 FFEDMM N=C(c1nonc1N)N([O-])C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC001195864748 1005064698 /nfs/dbraw/zinc/06/46/98/1005064698.db2.gz KCTSTZNSHXPUGR-UHFFFAOYSA-N -1 1 362.349 2.657 20 30 FFEDMM COC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201295666 1005196073 /nfs/dbraw/zinc/19/60/73/1005196073.db2.gz XIKWPQDPYZVXSO-UHFFFAOYSA-N -1 1 365.798 2.503 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3C)cc1C#N ZINC001201323669 1005199732 /nfs/dbraw/zinc/19/97/32/1005199732.db2.gz KXTNIXOCWFASCL-UHFFFAOYSA-N -1 1 370.434 2.669 20 30 FFEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1nnn(C(C)(C)C)n1 ZINC000850758712 1005837030 /nfs/dbraw/zinc/83/70/30/1005837030.db2.gz CQSXRZRRGCEMQM-AWEZNQCLSA-N -1 1 368.441 2.514 20 30 FFEDMM C#Cc1cccc(NC(=O)NC(=O)CSc2nc(CCC)cc(=O)[n-]2)c1 ZINC001188161558 1006456595 /nfs/dbraw/zinc/45/65/95/1006456595.db2.gz BACFJQDZVVFKED-UHFFFAOYSA-N -1 1 370.434 2.556 20 30 FFEDMM N#CCCCC[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189053368 1006873917 /nfs/dbraw/zinc/87/39/17/1006873917.db2.gz VWFSCOVHRDIKKS-UHFFFAOYSA-N -1 1 353.188 2.699 20 30 FFEDMM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1 ZINC001189278538 1006985358 /nfs/dbraw/zinc/98/53/58/1006985358.db2.gz XPXSCFHJBJWBLK-UHFFFAOYSA-N -1 1 368.397 2.854 20 30 FFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000855303491 1007260099 /nfs/dbraw/zinc/26/00/99/1007260099.db2.gz DORFBGKMAMXILT-FQEVSTJZSA-N -1 1 365.437 2.707 20 30 FFEDMM N#Cc1cc2cccnc2nc1NC(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190258524 1007545199 /nfs/dbraw/zinc/54/51/99/1007545199.db2.gz RHCFSBPIMAWDQB-UHFFFAOYSA-N -1 1 368.356 2.916 20 30 FFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)c1 ZINC001190657554 1007738266 /nfs/dbraw/zinc/73/82/66/1007738266.db2.gz CTXHIRNPPAWZGH-UHFFFAOYSA-N -1 1 355.272 2.787 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1cc([O-])cc(C#N)c1)C2 ZINC000857415430 1008140920 /nfs/dbraw/zinc/14/09/20/1008140920.db2.gz GRXVKGOKRDSVEQ-MGPUTAFESA-N -1 1 371.437 2.783 20 30 FFEDMM CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC000862850618 1010015563 /nfs/dbraw/zinc/01/55/63/1010015563.db2.gz OCUHXWNSYLHWJA-LSDHHAIUSA-N -1 1 359.426 2.782 20 30 FFEDMM N#Cc1c(=O)[n-]cc2c1CCCC2=NNCCCOCc1ccccc1 ZINC000863176044 1010121146 /nfs/dbraw/zinc/12/11/46/1010121146.db2.gz CMVRINIAVLZYLH-UHFFFAOYSA-N -1 1 350.422 2.896 20 30 FFEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccc(F)cc3)n2)c1 ZINC000121687296 1011074170 /nfs/dbraw/zinc/07/41/70/1011074170.db2.gz QEYGVUVHEOCICI-INIZCTEOSA-N -1 1 363.352 2.676 20 30 FFEDMM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3cccc([O-])c3F)CC2)C1=O ZINC001274915490 1011745883 /nfs/dbraw/zinc/74/58/83/1011745883.db2.gz LMODVQQJGHIGKV-HXUWFJFHSA-N -1 1 360.429 2.952 20 30 FFEDMM C=C(C)CN1CC[C@@]2(CCCN(C(=O)c3cccc([O-])c3F)CC2)C1=O 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Cc1noc(NC(=O)c2cnc3ccc(C(F)(F)F)cc3c2[O-])c1C#N ZINC001150463988 1031717048 /nfs/dbraw/zinc/71/70/48/1031717048.db2.gz CBXLRKGZHXZRKG-UHFFFAOYSA-N -1 1 362.267 2.967 20 30 FFEDMM COC(=O)c1ccccc1NN=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000799884013 1031921703 /nfs/dbraw/zinc/92/17/03/1031921703.db2.gz ZNATVVHFCUGIKP-UHFFFAOYSA-N -1 1 351.362 2.959 20 30 FFEDMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001137978162 1033476250 /nfs/dbraw/zinc/47/62/50/1033476250.db2.gz ZYNKZRJMBAWLPB-UHFFFAOYSA-N -1 1 352.419 2.581 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H](OCCOc2cccc(/C=N/[O-])c2)C1 ZINC001226115872 1034532110 /nfs/dbraw/zinc/53/21/10/1034532110.db2.gz JVWIWYBOEHTJEP-PUMYGXPMSA-N -1 1 350.415 2.900 20 30 FFEDMM [O-]/N=C/c1ccnc(O[C@H]2CCOc3ccc(Br)cc32)n1 ZINC001226252952 1034595255 /nfs/dbraw/zinc/59/52/55/1034595255.db2.gz CAIOTWNMGLIONR-TVYFDWKESA-N -1 1 350.172 2.950 20 30 FFEDMM C=C[C@@H](Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)cc1)O2)C(=O)OC ZINC001226497751 1034712907 /nfs/dbraw/zinc/71/29/07/1034712907.db2.gz PIILNIHPEPZTRY-HZPDHXFCSA-N -1 1 370.357 2.911 20 30 FFEDMM CC[C@@H]1OC(C)=C(Oc2nc(=O)[n-]c3c2CN(Cc2ccccc2)C3)C1=O ZINC001226621736 1034762571 /nfs/dbraw/zinc/76/25/71/1034762571.db2.gz CJOCYCGNQANPDF-INIZCTEOSA-N -1 1 367.405 2.686 20 30 FFEDMM O=C1C=C[C@@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228191663 1035984903 /nfs/dbraw/zinc/98/49/03/1035984903.db2.gz RCBLQRLOUINPNS-DYVFJYSZSA-N -1 1 368.341 2.786 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c([O-])c2F)[C@@H](C#N)C1 ZINC001232932455 1036167228 /nfs/dbraw/zinc/16/72/28/1036167228.db2.gz YYJJBKYBLCWXJQ-LBPRGKRZSA-N -1 1 353.369 2.615 20 30 FFEDMM C=CCOC(=O)N1CCC2(CN(Cc3cc([O-])c(F)c(F)c3)C2)CC1 ZINC001232968597 1036194571 /nfs/dbraw/zinc/19/45/71/1036194571.db2.gz JHETZIUXGDMHNB-UHFFFAOYSA-N -1 1 352.381 2.891 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](Oc2cc([O-])cc3oc(=O)ccc23)[C@H](C#N)C1 ZINC001229128877 1036511884 /nfs/dbraw/zinc/51/18/84/1036511884.db2.gz DXTMJVJWGWYDOU-BZNIZROVSA-N -1 1 372.377 2.636 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2[O-])CC1(F)F ZINC001233386811 1036587917 /nfs/dbraw/zinc/58/79/17/1036587917.db2.gz JUHJKBJTGAKPJF-OAHLLOKOSA-N -1 1 367.396 2.998 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(C#N)cc2[O-])CC(F)(F)C1 ZINC001233387748 1036590088 /nfs/dbraw/zinc/59/00/88/1036590088.db2.gz WRPWVFQBHRGOTL-CQSZACIVSA-N -1 1 367.396 2.998 20 30 FFEDMM C=CC[C@H](C=C)Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792827 1036898908 /nfs/dbraw/zinc/89/89/08/1036898908.db2.gz UBTXDAIWIMYFPX-NSHDSACASA-N -1 1 358.346 2.955 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](Oc3ccccc3C=N[O-])C[C@H]2C1 ZINC001234822679 1037190892 /nfs/dbraw/zinc/19/08/92/1037190892.db2.gz NHSYZYCGOZDYCP-JKSUJKDBSA-N -1 1 361.442 2.567 20 30 FFEDMM N#Cc1nccnc1N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236798720 1038276939 /nfs/dbraw/zinc/27/69/39/1038276939.db2.gz LJMMAWLNZSJAMP-UHFFFAOYSA-N -1 1 364.236 2.683 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(C)c2CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237125441 1038450697 /nfs/dbraw/zinc/45/06/97/1038450697.db2.gz ZVJMDYBMMWHVIV-CQSZACIVSA-N -1 1 366.824 2.615 20 30 FFEDMM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccccc2C#N)c(C)c1F ZINC001258283436 1039296058 /nfs/dbraw/zinc/29/60/58/1039296058.db2.gz VZFMNBZKLULJFR-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM CCCCC[C@H](CCC)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001258667256 1039480312 /nfs/dbraw/zinc/48/03/12/1039480312.db2.gz LWVPFMXPYPYNIN-KBPBESRZSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCC[C@H](CCC)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001258667256 1039480319 /nfs/dbraw/zinc/48/03/19/1039480319.db2.gz LWVPFMXPYPYNIN-KBPBESRZSA-N -1 1 356.469 2.751 20 30 FFEDMM N#Cc1cccc(OCCC[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC001258950236 1039612366 /nfs/dbraw/zinc/61/23/66/1039612366.db2.gz SOKADIARGFHOFO-UHFFFAOYSA-N -1 1 352.362 2.584 20 30 FFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1Cl ZINC001259418413 1039987269 /nfs/dbraw/zinc/98/72/69/1039987269.db2.gz ZXDOJCHYZGKRSK-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM C=CCS(=O)(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001259930173 1040304664 /nfs/dbraw/zinc/30/46/64/1040304664.db2.gz DOPLHICMADVFDW-UHFFFAOYSA-N -1 1 363.279 2.927 20 30 FFEDMM N#Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260356795 1040553747 /nfs/dbraw/zinc/55/37/47/1040553747.db2.gz QVXBPTDTEOPOPA-OAHLLOKOSA-N -1 1 352.337 2.941 20 30 FFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C#N)sc3c2)c1 ZINC001260844812 1040846139 /nfs/dbraw/zinc/84/61/39/1040846139.db2.gz GWLXZABWNQQKTK-UHFFFAOYSA-N -1 1 373.415 2.755 20 30 FFEDMM Cc1cc(-n2c(Br)c(C#N)c(N)cc2=N)cc(Cl)c1[O-] ZINC001216083871 1041948105 /nfs/dbraw/zinc/94/81/05/1041948105.db2.gz NJKFHOWCMCVBKF-UHFFFAOYSA-N -1 1 353.607 2.841 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC(COC)CC1 ZINC001262974895 1042001459 /nfs/dbraw/zinc/00/14/59/1042001459.db2.gz QGFQWNYTVOYNNK-UHFFFAOYSA-N -1 1 363.849 2.748 20 30 FFEDMM CCOC(=O)CC1CCN(c2ccc(-c3ccc([O-])c(C#N)c3)nn2)CC1 ZINC001242562902 1044752520 /nfs/dbraw/zinc/75/25/20/1044752520.db2.gz NCYRXLFEPPADPW-UHFFFAOYSA-N -1 1 366.421 2.890 20 30 FFEDMM CC[C@@H](C)Oc1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001319021900 1044987267 /nfs/dbraw/zinc/98/72/67/1044987267.db2.gz DTQDWKZVLBHXSE-GFCCVEGCSA-N -1 1 358.419 2.743 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC001317899414 1045164932 /nfs/dbraw/zinc/16/49/32/1045164932.db2.gz SBXILFZATSDRHY-UHFFFAOYSA-N -1 1 354.309 2.584 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CN2CCCC2=O)ccc1C#N ZINC001321997870 1045906816 /nfs/dbraw/zinc/90/68/16/1045906816.db2.gz HROZMXUATPURMF-UHFFFAOYSA-N -1 1 369.446 2.790 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N2CCCc3c(C#N)cccc32)c(=O)[n-]1 ZINC001326332090 1046879358 /nfs/dbraw/zinc/87/93/58/1046879358.db2.gz CLIOOLJYBQQPLJ-UHFFFAOYSA-N -1 1 368.462 2.996 20 30 FFEDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(CC#N)cc3)c2)n[nH]1 ZINC001330964712 1049413933 /nfs/dbraw/zinc/41/39/33/1049413933.db2.gz ZFDIVEDZUBSWDN-UHFFFAOYSA-N -1 1 367.434 2.955 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001341869086 1050478002 /nfs/dbraw/zinc/47/80/02/1050478002.db2.gz WKZJVJYHCDAFNK-LLVKDONJSA-N -1 1 365.869 2.544 20 30 FFEDMM C=CC1CCN(c2nnc(-c3c[n-][nH]c3=O)n2Cc2ccccc2)CC1 ZINC001342128430 1050722010 /nfs/dbraw/zinc/72/20/10/1050722010.db2.gz NCJVUBVCJDIOED-UHFFFAOYSA-N -1 1 350.426 2.825 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)CCOCc1ccccc1 ZINC001342226192 1050815996 /nfs/dbraw/zinc/81/59/96/1050815996.db2.gz PCWDUAGADQAVCY-UHFFFAOYSA-N -1 1 368.441 2.603 20 30 FFEDMM CN(CCC(=O)[N-]Oc1cccc(C#N)c1)C(=O)OCc1ccccc1 ZINC001302374117 1051100371 /nfs/dbraw/zinc/10/03/71/1051100371.db2.gz UJFJBJKLAOHZQB-UHFFFAOYSA-N -1 1 353.378 2.627 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCCO[C@H](C)C1 ZINC001342950491 1051565068 /nfs/dbraw/zinc/56/50/68/1051565068.db2.gz IJBKCWGGQDESSW-CYBMUJFWSA-N -1 1 370.457 2.509 20 30 FFEDMM O=S1(=O)[N-]/C(=N/C[C@H]2CCCN(c3ccccc3)C2)c2ccccc21 ZINC001344056791 1052571809 /nfs/dbraw/zinc/57/18/09/1052571809.db2.gz VLBZJFPZXLDDFC-OAHLLOKOSA-N -1 1 355.463 2.642 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)cccc1C#N)c1cc(C)cc(C)c1 ZINC001309428337 1052617700 /nfs/dbraw/zinc/61/77/00/1052617700.db2.gz AWHVOLVZUOSZDI-QGZVFWFLSA-N -1 1 372.446 2.676 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001351669102 1054945900 /nfs/dbraw/zinc/94/59/00/1054945900.db2.gz NBUQZAQNRBWGPY-CQSZACIVSA-N -1 1 370.848 2.563 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001351669102 1054945908 /nfs/dbraw/zinc/94/59/08/1054945908.db2.gz NBUQZAQNRBWGPY-CQSZACIVSA-N -1 1 370.848 2.563 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CC[C@H](Oc2ccccc2)C1 ZINC001356152754 1055336949 /nfs/dbraw/zinc/33/69/49/1055336949.db2.gz MIBCNVGROGKMHX-ZDUSSCGKSA-N -1 1 371.832 2.560 20 30 FFEDMM CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC001452489968 1059230394 /nfs/dbraw/zinc/23/03/94/1059230394.db2.gz RALWFSLCMNQICP-AWEZNQCLSA-N -1 1 357.360 2.893 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2ccc(OCC)cc2C1 ZINC001520398405 1059658169 /nfs/dbraw/zinc/65/81/69/1059658169.db2.gz WZYXTDSNLCYSHQ-UHFFFAOYSA-N -1 1 366.425 2.521 20 30 FFEDMM C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001522404049 1062126360 /nfs/dbraw/zinc/12/63/60/1062126360.db2.gz QJKLQKRVGSWUJG-QYWGDWMGSA-N -1 1 371.481 2.748 20 30 FFEDMM CCOC(=O)[C@]([N-]C(=O)[C@@H](F)C(F)(F)F)(C1CCC1)C(F)(F)F ZINC001531594264 1062814477 /nfs/dbraw/zinc/81/44/77/1062814477.db2.gz IGUOCYCZHKGNOR-GMSGAONNSA-N -1 1 353.234 2.667 20 30 FFEDMM N#Cc1c([N-]C(=O)c2ncsc2C(F)(F)F)ncc2c1COCC2 ZINC001585440768 1079463449 /nfs/dbraw/zinc/46/34/49/1079463449.db2.gz IWSNZDPCYDTCJC-UHFFFAOYSA-N -1 1 354.313 2.754 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@@H](NCc2ccccc2)C(F)(F)F)cc1[O-] ZINC001558986297 1076109616 /nfs/dbraw/zinc/10/96/16/1076109616.db2.gz XCHLVHJGLRXIRK-MRXNPFEDSA-N -1 1 363.339 2.714 20 30 FFEDMM CSc1nc(CNc2cc(C#N)c(Br)cn2)cc(=O)[n-]1 ZINC001559224350 1076136649 /nfs/dbraw/zinc/13/66/49/1076136649.db2.gz XTMAGWRAUKNKMD-UHFFFAOYSA-N -1 1 352.217 2.545 20 30 FFEDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)cc1F ZINC001561172916 1076342622 /nfs/dbraw/zinc/34/26/22/1076342622.db2.gz OSSBQRKMLQRALC-NSHDSACASA-N -1 1 363.370 2.954 20 30 FFEDMM C#CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC001561578437 1076394530 /nfs/dbraw/zinc/39/45/30/1076394530.db2.gz PSBWUZXEQDIOJT-UHFFFAOYSA-N -1 1 355.337 2.594 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Oc3ccc(F)cc3)n2)o1 ZINC001561721044 1076412452 /nfs/dbraw/zinc/41/24/52/1076412452.db2.gz MCCCFQCWBCELLT-UHFFFAOYSA-N -1 1 373.365 2.956 20 30 FFEDMM N#C[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])CCN1Cc1ccccc1 ZINC001565718743 1076757245 /nfs/dbraw/zinc/75/72/45/1076757245.db2.gz PNGYERKXLLGGJO-GOSISDBHSA-N -1 1 372.428 2.791 20 30 FFEDMM N#Cc1cnn(-c2ccc(C(=O)Nc3cc([O-])c(F)cc3F)cc2)c1N ZINC001570101242 1077182793 /nfs/dbraw/zinc/18/27/93/1077182793.db2.gz FJEPZRFUROMPNB-UHFFFAOYSA-N -1 1 355.304 2.562 20 30 FFEDMM C#CCCCn1c(C)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001587813561 1079870643 /nfs/dbraw/zinc/87/06/43/1079870643.db2.gz QARKBYPYNWTDJW-UHFFFAOYSA-N -1 1 352.438 2.805 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001588326631 1079983383 /nfs/dbraw/zinc/98/33/83/1079983383.db2.gz QZBDLEUDQNUNBM-NSHDSACASA-N -1 1 351.341 2.550 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001588326631 1079983388 /nfs/dbraw/zinc/98/33/88/1079983388.db2.gz QZBDLEUDQNUNBM-NSHDSACASA-N -1 1 351.341 2.550 20 30 FFEDMM C#C[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)c1ccc(Br)cc1 ZINC001588328864 1079985757 /nfs/dbraw/zinc/98/57/57/1079985757.db2.gz RZNLOGGBTWSWBX-LBPRGKRZSA-N -1 1 370.214 2.514 20 30 FFEDMM C#C[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)c1ccc(Br)cc1 ZINC001588328864 1079985764 /nfs/dbraw/zinc/98/57/64/1079985764.db2.gz RZNLOGGBTWSWBX-LBPRGKRZSA-N -1 1 370.214 2.514 20 30 FFEDMM C#CCOc1cccc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001588363008 1079993932 /nfs/dbraw/zinc/99/39/32/1079993932.db2.gz DUXDURFOWDCFOM-UHFFFAOYSA-N -1 1 358.361 2.612 20 30 FFEDMM C=C(C)C(C)(C)C(=O)NC[C@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588396952 1080008062 /nfs/dbraw/zinc/00/80/62/1080008062.db2.gz RMUTWYSXKUMBGI-NSHDSACASA-N -1 1 363.491 2.541 20 30 FFEDMM C=CC[C@H]1N(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2C)CCCC1(C)C ZINC001588563892 1080100077 /nfs/dbraw/zinc/10/00/77/1080100077.db2.gz DQZIMWQBHXPYFL-CQSZACIVSA-N -1 1 368.445 2.826 20 30 FFEDMM C=CC[C@H]1N(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2C)CCCC1(C)C ZINC001588563892 1080100085 /nfs/dbraw/zinc/10/00/85/1080100085.db2.gz DQZIMWQBHXPYFL-CQSZACIVSA-N -1 1 368.445 2.826 20 30 FFEDMM C=CCCCCCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588593327 1080115549 /nfs/dbraw/zinc/11/55/49/1080115549.db2.gz CDEGVRXWRXZXEE-UHFFFAOYSA-N -1 1 372.473 2.769 20 30 FFEDMM Cc1nn(C)c2nc(Cl)cc(N=NC(C)c3ncc(C(=O)[O-])s3)c12 ZINC001589016652 1080305663 /nfs/dbraw/zinc/30/56/63/1080305663.db2.gz DKDZFCYZBRBBFO-UHFFFAOYSA-N -1 1 364.818 2.921 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(N)cc2Cl)o1 ZINC001589238202 1080440617 /nfs/dbraw/zinc/44/06/17/1080440617.db2.gz OEAJUJWZPPXVIH-UHFFFAOYSA-N -1 1 360.809 2.834 20 30 FFEDMM CC(C)(CCCc1ccccc1)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589276064 1080460567 /nfs/dbraw/zinc/46/05/67/1080460567.db2.gz LKAMOHHFESNVOZ-UHFFFAOYSA-N -1 1 362.441 2.989 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCC[C@@H]2[C@H]2CCOC2)o1 ZINC001589773514 1080728189 /nfs/dbraw/zinc/72/81/89/1080728189.db2.gz JLJNXBKMQLITQN-NWDGAFQWSA-N -1 1 359.434 2.973 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c(Cl)nc3ccccn32)o1 ZINC001589773439 1080728265 /nfs/dbraw/zinc/72/82/65/1080728265.db2.gz CJCFDBAFQGABCP-UHFFFAOYSA-N -1 1 371.792 2.725 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCC[C@@H]2[C@@H]2CCOC2)o1 ZINC001589773518 1080729511 /nfs/dbraw/zinc/72/95/11/1080729511.db2.gz JLJNXBKMQLITQN-VXGBXAGGSA-N -1 1 359.434 2.973 20 30 FFEDMM CC(C)(C)OC(=O)CC1(NCc2cccc(C(=O)[O-])c2C#N)CCOCC1 ZINC001589866232 1080815461 /nfs/dbraw/zinc/81/54/61/1080815461.db2.gz ATOWLHRZGLFFSA-UHFFFAOYSA-N -1 1 374.437 2.627 20 30 FFEDMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590051525 1080980464 /nfs/dbraw/zinc/98/04/64/1080980464.db2.gz XXEOULLPZCKKJK-JTQLQIEISA-N -1 1 367.800 2.620 20 30 FFEDMM CC1(C)CCc2sc(NC(=O)c3cccc(-c4nnn[n-]4)n3)c(C#N)c21 ZINC001590099824 1081011061 /nfs/dbraw/zinc/01/10/61/1081011061.db2.gz GYMRLFDNDJKHBM-UHFFFAOYSA-N -1 1 365.422 2.671 20 30 FFEDMM CC1(C)CCc2sc(NC(=O)c3cccc(-c4nn[n-]n4)n3)c(C#N)c21 ZINC001590099824 1081011071 /nfs/dbraw/zinc/01/10/71/1081011071.db2.gz GYMRLFDNDJKHBM-UHFFFAOYSA-N -1 1 365.422 2.671 20 30 FFEDMM CCN(Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1)C(C)=O ZINC000032599238 506270492 /nfs/dbraw/zinc/27/04/92/506270492.db2.gz PGNYMSKOCFTFBT-UHFFFAOYSA-N -1 1 357.435 2.727 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1C(N)=O ZINC000055639907 506810228 /nfs/dbraw/zinc/81/02/28/506810228.db2.gz IHOISKMQIJWPPV-UHFFFAOYSA-N -1 1 373.434 2.577 20 30 FFEDMM Cc1c(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)nnn1-c1ccc(C)cc1 ZINC000057155103 507189030 /nfs/dbraw/zinc/18/90/30/507189030.db2.gz SAQQLECFIHMWHR-UHFFFAOYSA-N -1 1 365.319 2.852 20 30 FFEDMM CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000029433610 507777165 /nfs/dbraw/zinc/77/71/65/507777165.db2.gz UZVHBJXPHLDKAT-UHFFFAOYSA-N -1 1 373.434 2.968 20 30 FFEDMM CCn1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000114617443 508331742 /nfs/dbraw/zinc/33/17/42/508331742.db2.gz NWSYPXPJZXQCMZ-LBPRGKRZSA-N -1 1 367.434 2.570 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)c1 ZINC000127523124 508462491 /nfs/dbraw/zinc/46/24/91/508462491.db2.gz HQOUABQCWVVSFH-UHFFFAOYSA-N -1 1 365.418 2.564 20 30 FFEDMM N#CC(=C([O-])c1ccc(N2CCCC2)nn1)c1ccc(C(F)(F)F)cn1 ZINC000118912013 508692388 /nfs/dbraw/zinc/69/23/88/508692388.db2.gz BBEILRVKNHNIMY-LBPRGKRZSA-N -1 1 361.327 2.981 20 30 FFEDMM C=C(C)COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC ZINC000140186361 508800859 /nfs/dbraw/zinc/80/08/59/508800859.db2.gz XUPBWPRXGIKYJM-WSSFADSRSA-N -1 1 356.374 2.878 20 30 FFEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3cccc(F)c3)nc(=O)c2c1C ZINC000155448703 509003841 /nfs/dbraw/zinc/00/38/41/509003841.db2.gz IZYVVXADLCWMCY-GFCCVEGCSA-N -1 1 356.382 2.986 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1F ZINC000170848669 509811670 /nfs/dbraw/zinc/81/16/70/509811670.db2.gz QSKXPPIYVHGLNT-UHFFFAOYSA-N -1 1 359.382 2.773 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000171620570 510256240 /nfs/dbraw/zinc/25/62/40/510256240.db2.gz AMYFUHIWANGXQJ-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)o1 ZINC000174767529 510299099 /nfs/dbraw/zinc/29/90/99/510299099.db2.gz GLDOUFQAQAUTMF-UHFFFAOYSA-N -1 1 354.391 2.971 20 30 FFEDMM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188379525 510738332 /nfs/dbraw/zinc/73/83/32/510738332.db2.gz XAKBENWIQVLRCG-UHFFFAOYSA-N -1 1 374.343 2.748 20 30 FFEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C(C)C)[nH]n2)C1=O ZINC000298689252 511375729 /nfs/dbraw/zinc/37/57/29/511375729.db2.gz ZUXDFXQACPHKLM-GOSISDBHSA-N -1 1 363.462 2.849 20 30 FFEDMM C=CCC(C)(C)CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000292609346 511660127 /nfs/dbraw/zinc/66/01/27/511660127.db2.gz FGQYPHDRSLXWMH-UHFFFAOYSA-N -1 1 355.460 2.791 20 30 FFEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000284934768 511934701 /nfs/dbraw/zinc/93/47/01/511934701.db2.gz ACDAOXZUSJVHNH-NSHDSACASA-N -1 1 367.265 2.512 20 30 FFEDMM C[C@H](CC#N)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364134653 511976223 /nfs/dbraw/zinc/97/62/23/511976223.db2.gz OLTDIPANOAUTCV-CXAGYDPISA-N -1 1 351.406 2.568 20 30 FFEDMM C[C@H](C#N)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000359957378 512058817 /nfs/dbraw/zinc/05/88/17/512058817.db2.gz NMCUPLZQXYTOBV-KDOFPFPSSA-N -1 1 365.433 2.768 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnc(C#N)n2)c(C)c1 ZINC000378016640 512550140 /nfs/dbraw/zinc/55/01/40/512550140.db2.gz IQULGMMKLSXBBJ-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000376359076 512784647 /nfs/dbraw/zinc/78/46/47/512784647.db2.gz MAOPHLYYKMQIQN-BLLLJJGKSA-N -1 1 365.480 2.574 20 30 FFEDMM N#Cc1cccc([C@@H]2CN(Cc3cc(=O)oc4cc([O-])ccc34)CCO2)c1 ZINC000372343125 512825746 /nfs/dbraw/zinc/82/57/46/512825746.db2.gz BDCZBMDZKMTNCY-FQEVSTJZSA-N -1 1 362.385 2.944 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c(Cl)c1 ZINC000391191395 512915509 /nfs/dbraw/zinc/91/55/09/512915509.db2.gz RKVKTVCFALSKRM-UHFFFAOYSA-N -1 1 350.783 2.640 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)ccc1C#N ZINC000447261659 513428706 /nfs/dbraw/zinc/42/87/06/513428706.db2.gz ABXJWRMTNVWQEV-UHFFFAOYSA-N -1 1 353.403 2.519 20 30 FFEDMM Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000442874852 513802510 /nfs/dbraw/zinc/80/25/10/513802510.db2.gz MSYCMTSJBOGTRK-UHFFFAOYSA-N -1 1 350.353 2.827 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1CCC(C#N)CC1 ZINC000442975741 513833010 /nfs/dbraw/zinc/83/30/10/513833010.db2.gz UVQQPDJDTVTMIP-UHFFFAOYSA-N -1 1 365.437 2.541 20 30 FFEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)CC(C)(C)OC)cc1 ZINC000414376951 514076701 /nfs/dbraw/zinc/07/67/01/514076701.db2.gz DOWRUBHRDDVABC-UHFFFAOYSA-N -1 1 366.483 2.668 20 30 FFEDMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427134287 514127372 /nfs/dbraw/zinc/12/73/72/514127372.db2.gz ABNRCHOHUPKNIT-UHFFFAOYSA-N -1 1 350.371 2.523 20 30 FFEDMM CCCc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c(C(=O)[O-])c1 ZINC000427144675 514129478 /nfs/dbraw/zinc/12/94/78/514129478.db2.gz PCHFTLFPQXLBFN-UHFFFAOYSA-N -1 1 359.407 2.713 20 30 FFEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)[nH]n1 ZINC000427250664 514162610 /nfs/dbraw/zinc/16/26/10/514162610.db2.gz SZYYOTWWYXCFSD-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM COc1cc(OC)c(C[C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c(OC)c1 ZINC000452695071 514460958 /nfs/dbraw/zinc/46/09/58/514460958.db2.gz CUAGRNQSOKQJQD-GFCCVEGCSA-N -1 1 370.405 2.651 20 30 FFEDMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)no1 ZINC000438895757 514463321 /nfs/dbraw/zinc/46/33/21/514463321.db2.gz KZBLADBFZAXMKB-UHFFFAOYSA-N -1 1 360.439 2.548 20 30 FFEDMM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000508069031 514654511 /nfs/dbraw/zinc/65/45/11/514654511.db2.gz PIXYFBLVFOMFHT-ZDUSSCGKSA-N -1 1 351.255 2.899 20 30 FFEDMM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000508127451 514680575 /nfs/dbraw/zinc/68/05/75/514680575.db2.gz JBSHNKGPWGZIHE-LBPRGKRZSA-N -1 1 355.218 2.730 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000475803767 514816383 /nfs/dbraw/zinc/81/63/83/514816383.db2.gz AZDIHNZQRFLJSS-UHFFFAOYSA-N -1 1 352.419 2.798 20 30 FFEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000462104196 514885411 /nfs/dbraw/zinc/88/54/11/514885411.db2.gz RVZDEHUPEJAVTR-UHFFFAOYSA-N -1 1 372.450 2.588 20 30 FFEDMM N#C[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000509093717 515020392 /nfs/dbraw/zinc/02/03/92/515020392.db2.gz JGAWXXPVVBCPDY-YJYMSZOUSA-N -1 1 353.809 2.891 20 30 FFEDMM C[C@H](CC#N)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000505143702 515456538 /nfs/dbraw/zinc/45/65/38/515456538.db2.gz SJNMNQSCMCFHLQ-CQSZACIVSA-N -1 1 357.435 2.862 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000463524980 515534930 /nfs/dbraw/zinc/53/49/30/515534930.db2.gz HADXFTMKMZUVHP-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000463534824 515537553 /nfs/dbraw/zinc/53/75/53/515537553.db2.gz XYDDESPKPCQOSM-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)cc1 ZINC000483141307 515948657 /nfs/dbraw/zinc/94/86/57/515948657.db2.gz RIXQOEYZEOHZKO-UHFFFAOYSA-N -1 1 359.382 2.625 20 30 FFEDMM COc1cc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(Cl)c1[O-] ZINC000561099909 516378225 /nfs/dbraw/zinc/37/82/25/516378225.db2.gz CJBSFXQEOOLIEK-ZDUSSCGKSA-N -1 1 373.796 2.614 20 30 FFEDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000557872395 516481604 /nfs/dbraw/zinc/48/16/04/516481604.db2.gz NXBDCIGYDTXUDG-XXFAHNHDSA-N -1 1 350.346 2.637 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)nc1 ZINC000547721073 516519555 /nfs/dbraw/zinc/51/95/55/516519555.db2.gz YTIUHRUKVGPWDS-UHFFFAOYSA-N -1 1 364.405 2.974 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3oc(=O)[nH]c3c2)n1 ZINC000558190696 516638790 /nfs/dbraw/zinc/63/87/90/516638790.db2.gz PMSXKJSFSGWFIR-VIFPVBQESA-N -1 1 357.347 2.657 20 30 FFEDMM CC(C)(C)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)c(C(=O)[O-])c1 ZINC000555119023 516790955 /nfs/dbraw/zinc/79/09/55/516790955.db2.gz BGKIZLVHBHCTAD-UHFFFAOYSA-N -1 1 359.407 2.750 20 30 FFEDMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C(C#N)(CC)CC)c1 ZINC000528951831 516820187 /nfs/dbraw/zinc/82/01/87/516820187.db2.gz UHKZARVCPKYPMU-UHFFFAOYSA-N -1 1 367.471 2.691 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000514830772 517076990 /nfs/dbraw/zinc/07/69/90/517076990.db2.gz BMEGUIBLPMEVGN-ZDUSSCGKSA-N -1 1 359.304 2.674 20 30 FFEDMM N#CC(=C([O-])c1csc(I)c1)c1ccncn1 ZINC000545446992 517244068 /nfs/dbraw/zinc/24/40/68/517244068.db2.gz GOGILDQOPIDRTP-MRVPVSSYSA-N -1 1 355.160 2.633 20 30 FFEDMM N#CCCN(CC1CC1)C(=O)c1ccc(I)c([O-])c1 ZINC000545516023 517278067 /nfs/dbraw/zinc/27/80/67/517278067.db2.gz MSBUSHLAEOLYIH-UHFFFAOYSA-N -1 1 370.190 2.763 20 30 FFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553450621 517720246 /nfs/dbraw/zinc/72/02/46/517720246.db2.gz IFBPHMOMZZDJQU-UHFFFAOYSA-N -1 1 359.386 2.691 20 30 FFEDMM C[C@@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553456118 517723072 /nfs/dbraw/zinc/72/30/72/517723072.db2.gz IIBRTSMTURKHMQ-JTQLQIEISA-N -1 1 369.240 2.823 20 30 FFEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1noc2c1COCC2 ZINC000527593833 517780738 /nfs/dbraw/zinc/78/07/38/517780738.db2.gz YXVZMMVHQPXVSG-AWEZNQCLSA-N -1 1 367.405 2.833 20 30 FFEDMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553895573 517957442 /nfs/dbraw/zinc/95/74/42/517957442.db2.gz PKKWCUYZWCUZTR-DJIMGWMZSA-N -1 1 360.435 2.781 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc2[nH]ccc21 ZINC000564053534 518285299 /nfs/dbraw/zinc/28/52/99/518285299.db2.gz DBJSRIPOWVVPOW-UHFFFAOYSA-N -1 1 369.402 2.935 20 30 FFEDMM C=CC[C@@H](CC)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000569863946 518330190 /nfs/dbraw/zinc/33/01/90/518330190.db2.gz GWYYASNBJNKEDX-SNVBAGLBSA-N -1 1 365.282 2.743 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000582154958 518612244 /nfs/dbraw/zinc/61/22/44/518612244.db2.gz YKMARBQILMFXJD-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000588183061 518745189 /nfs/dbraw/zinc/74/51/89/518745189.db2.gz XPVWEDOZRCEMIZ-XJKSGUPXSA-N -1 1 354.431 2.905 20 30 FFEDMM COc1cccc([C@H](C)N2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000589178056 518942761 /nfs/dbraw/zinc/94/27/61/518942761.db2.gz SIAWSIANKWZUGB-HNNXBMFYSA-N -1 1 365.433 2.791 20 30 FFEDMM COc1ccccc1-c1noc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589187820 518944463 /nfs/dbraw/zinc/94/44/63/518944463.db2.gz WEFNNLSBCJJYDN-NSHDSACASA-N -1 1 364.361 2.813 20 30 FFEDMM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1Oc1ccccc1 ZINC000589207868 518951508 /nfs/dbraw/zinc/95/15/08/518951508.db2.gz VKLLEUOFDUVZGO-IPMKNSEASA-N -1 1 352.390 2.619 20 30 FFEDMM COc1ccc(CCNC(=O)c2cc([O-])cc(C#N)c2)c(Cl)c1OC ZINC000590499617 519249588 /nfs/dbraw/zinc/24/95/88/519249588.db2.gz VRBNHMPDUGTGOK-UHFFFAOYSA-N -1 1 360.797 2.907 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)o1 ZINC000569525632 519594329 /nfs/dbraw/zinc/59/43/29/519594329.db2.gz LWEHIHUANRZPCV-LBPRGKRZSA-N -1 1 355.297 2.713 20 30 FFEDMM C=CCC[C@H](C(=O)N[C@H](C)c1n[n-]c(C(=O)OCC)n1)c1ccccc1 ZINC000603156051 520120071 /nfs/dbraw/zinc/12/00/71/520120071.db2.gz PVIYJVWLWMJEQW-HIFRSBDPSA-N -1 1 356.426 2.909 20 30 FFEDMM C=CCC[C@H](C(=O)N[C@H](C)c1nnc(C(=O)OCC)[n-]1)c1ccccc1 ZINC000603156051 520120077 /nfs/dbraw/zinc/12/00/77/520120077.db2.gz PVIYJVWLWMJEQW-HIFRSBDPSA-N -1 1 356.426 2.909 20 30 FFEDMM C=CCC[C@H](C(=O)N[C@H](C)c1nc(C(=O)OCC)n[n-]1)c1ccccc1 ZINC000603156051 520120087 /nfs/dbraw/zinc/12/00/87/520120087.db2.gz PVIYJVWLWMJEQW-HIFRSBDPSA-N -1 1 356.426 2.909 20 30 FFEDMM N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000609069461 520185532 /nfs/dbraw/zinc/18/55/32/520185532.db2.gz VGYOOLHVRCGEBL-UHFFFAOYSA-N -1 1 368.317 2.659 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](C)C#N)c2)c1 ZINC000609524880 520342333 /nfs/dbraw/zinc/34/23/33/520342333.db2.gz KNTATFYXLQEANF-AWEZNQCLSA-N -1 1 357.435 2.685 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597948064 520346473 /nfs/dbraw/zinc/34/64/73/520346473.db2.gz BFJIMGYGJODJQL-UHFFFAOYSA-N -1 1 363.421 2.517 20 30 FFEDMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000603974507 520419446 /nfs/dbraw/zinc/41/94/46/520419446.db2.gz YXTZHVYLXBEFDO-UHFFFAOYSA-N -1 1 364.814 2.764 20 30 FFEDMM COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)CCC2 ZINC000598106337 520426206 /nfs/dbraw/zinc/42/62/06/520426206.db2.gz OYEOLMDOXWAJNT-KRWDZBQOSA-N -1 1 364.401 2.900 20 30 FFEDMM C[C@@H](C#N)N(C(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000598133691 520444568 /nfs/dbraw/zinc/44/45/68/520444568.db2.gz RGEBPPIACNWKAH-QMMMGPOBSA-N -1 1 356.163 2.513 20 30 FFEDMM C[C@H](C#N)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000609921475 520482513 /nfs/dbraw/zinc/48/25/13/520482513.db2.gz ZXCIEECQEBJLKW-CQSZACIVSA-N -1 1 357.435 2.605 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)n[nH]2)c1 ZINC000610769124 520835629 /nfs/dbraw/zinc/83/56/29/520835629.db2.gz BPDMUCSJVPGAEJ-UHFFFAOYSA-N -1 1 352.419 2.867 20 30 FFEDMM CSc1nnc(CCCNC(=O)c2cc([O-])cc(C#N)c2)n1CC(C)C ZINC000614363170 520926214 /nfs/dbraw/zinc/92/62/14/520926214.db2.gz JCULARRWJXUCDZ-UHFFFAOYSA-N -1 1 373.482 2.596 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1Br ZINC000618958943 521320906 /nfs/dbraw/zinc/32/09/06/521320906.db2.gz BYLWDJXUAUDLIY-UHFFFAOYSA-N -1 1 371.187 2.966 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000619461507 521579500 /nfs/dbraw/zinc/57/95/00/521579500.db2.gz NNMBQJIVRCUOJJ-UHFFFAOYSA-N -1 1 355.419 2.902 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCCC2=O)c1 ZINC000619461654 521579638 /nfs/dbraw/zinc/57/96/38/521579638.db2.gz KYZYFROPVSLQEA-UHFFFAOYSA-N -1 1 369.446 2.676 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000619462762 521581060 /nfs/dbraw/zinc/58/10/60/521581060.db2.gz LCZXBQRSNROODV-UHFFFAOYSA-N -1 1 355.419 2.828 20 30 FFEDMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619569610 521772746 /nfs/dbraw/zinc/77/27/46/521772746.db2.gz AOGGWFAJUQRHFT-UHFFFAOYSA-N -1 1 352.419 2.954 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735974533 599004593 /nfs/dbraw/zinc/00/45/93/599004593.db2.gz LKIFVGMQGRXVNK-LLVKDONJSA-N -1 1 365.422 2.908 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735974533 599004596 /nfs/dbraw/zinc/00/45/96/599004596.db2.gz LKIFVGMQGRXVNK-LLVKDONJSA-N -1 1 365.422 2.908 20 30 FFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cccc(C#N)c1C ZINC000822542534 607295527 /nfs/dbraw/zinc/29/55/27/607295527.db2.gz YVMGEIZROVRNLM-UHFFFAOYSA-N -1 1 373.376 2.991 20 30 FFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cccc(C#N)c1C ZINC000822542534 607295528 /nfs/dbraw/zinc/29/55/28/607295528.db2.gz YVMGEIZROVRNLM-UHFFFAOYSA-N -1 1 373.376 2.991 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000738363950 600132227 /nfs/dbraw/zinc/13/22/27/600132227.db2.gz PHHJQOQKMBOPGZ-DLBZAZTESA-N -1 1 357.454 2.735 20 30 FFEDMM N#Cc1ccc([C@@H](NCc2ccc(OCC(F)(F)F)nc2)C(=O)[O-])cc1 ZINC000739108908 600594276 /nfs/dbraw/zinc/59/42/76/600594276.db2.gz YBMOYQKOCNFUSY-OAHLLOKOSA-N -1 1 365.311 2.810 20 30 FFEDMM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)[nH]n2)o1 ZINC000738487598 600612837 /nfs/dbraw/zinc/61/28/37/600612837.db2.gz BZUYEXVIWMUZBO-INIZCTEOSA-N -1 1 351.318 2.833 20 30 FFEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000833073526 601316910 /nfs/dbraw/zinc/31/69/10/601316910.db2.gz DJWHDJWGFJUHKS-FQEVSTJZSA-N -1 1 369.465 2.799 20 30 FFEDMM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000825893659 603560688 /nfs/dbraw/zinc/56/06/88/603560688.db2.gz AKTWIVUUYHXIDY-DJJJIMSYSA-N -1 1 369.425 2.914 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000829890103 604881382 /nfs/dbraw/zinc/88/13/82/604881382.db2.gz LCLITPJEGZEBME-JTQLQIEISA-N -1 1 362.338 2.647 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000779844404 605596948 /nfs/dbraw/zinc/59/69/48/605596948.db2.gz IGFZIENTVLOPDC-SNVBAGLBSA-N -1 1 364.354 2.616 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833402885 605598531 /nfs/dbraw/zinc/59/85/31/605598531.db2.gz ZJTGCGHWACEGNC-JTQLQIEISA-N -1 1 364.354 2.616 20 30 FFEDMM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CCN(C)C(=O)[O-])CC1 ZINC000833791635 605654091 /nfs/dbraw/zinc/65/40/91/605654091.db2.gz VXJPLPARYZXZFT-AWEZNQCLSA-N -1 1 358.442 2.597 20 30 FFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832815 605900353 /nfs/dbraw/zinc/90/03/53/605900353.db2.gz URNHEURDSRHNSI-GRYCIOLGSA-N -1 1 364.833 2.517 20 30 FFEDMM N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1nnc2n1CCCCC2 ZINC000833959663 606091102 /nfs/dbraw/zinc/09/11/02/606091102.db2.gz BNEJGNMNTXQGDI-ZDUSSCGKSA-N -1 1 353.382 2.513 20 30 FFEDMM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000819758833 606135960 /nfs/dbraw/zinc/13/59/60/606135960.db2.gz IEKKLNWBWCQUGV-UHFFFAOYSA-N -1 1 371.422 2.572 20 30 FFEDMM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000819758833 606135961 /nfs/dbraw/zinc/13/59/61/606135961.db2.gz IEKKLNWBWCQUGV-UHFFFAOYSA-N -1 1 371.422 2.572 20 30 FFEDMM C=CCC[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C1CC1 ZINC000823894521 607779904 /nfs/dbraw/zinc/77/99/04/607779904.db2.gz SCKNIPORLZGCEM-HNNXBMFYSA-N -1 1 371.441 2.805 20 30 FFEDMM COc1nc(Cl)c(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)s1 ZINC000826221839 607887623 /nfs/dbraw/zinc/88/76/23/607887623.db2.gz XECJFEWCMYRNMU-UHFFFAOYSA-N -1 1 368.810 2.543 20 30 FFEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823958865 608091744 /nfs/dbraw/zinc/09/17/44/608091744.db2.gz ZUCAXXDJHDKAEU-UHFFFAOYSA-N -1 1 374.342 2.581 20 30 FFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC1(C#N)CCCC1 ZINC000826341008 609157527 /nfs/dbraw/zinc/15/75/27/609157527.db2.gz SHLRCCWBGBLKHM-UHFFFAOYSA-N -1 1 366.381 2.800 20 30 FFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC1(C#N)CCCC1 ZINC000826341008 609157528 /nfs/dbraw/zinc/15/75/28/609157528.db2.gz SHLRCCWBGBLKHM-UHFFFAOYSA-N -1 1 366.381 2.800 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(C#N)cc2F)o1 ZINC000823963235 609275734 /nfs/dbraw/zinc/27/57/34/609275734.db2.gz YTCQWWHMARIEJJ-UHFFFAOYSA-N -1 1 354.349 2.825 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(Cl)c(F)c2)cc1 ZINC000746491396 735487618 /nfs/dbraw/zinc/48/76/18/735487618.db2.gz CMSMCYIXCIZULL-UHFFFAOYSA-N -1 1 371.777 2.841 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)nc1 ZINC000068424887 728190985 /nfs/dbraw/zinc/19/09/85/728190985.db2.gz OBIXATVNZFNGHU-UHFFFAOYSA-N -1 1 354.439 2.562 20 30 FFEDMM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(Br)ccc1[O-] ZINC000121542449 728630196 /nfs/dbraw/zinc/63/01/96/728630196.db2.gz JINONWLPMFAZPL-SECBINFHSA-N -1 1 362.183 2.827 20 30 FFEDMM CCn1c(=O)c2ccc(C(=O)[C@H](C#N)c3nc(C)cs3)cc2[n-]c1=S ZINC000122325553 728646366 /nfs/dbraw/zinc/64/63/66/728646366.db2.gz WASKBYBTNZFXHF-LBPRGKRZSA-N -1 1 370.459 2.960 20 30 FFEDMM CC#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000126489431 728703725 /nfs/dbraw/zinc/70/37/25/728703725.db2.gz LXFSYPLYIUIRIR-UHFFFAOYSA-N -1 1 362.838 2.894 20 30 FFEDMM C#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000191060017 729414217 /nfs/dbraw/zinc/41/42/17/729414217.db2.gz BKJLZDABQWQRBT-UHFFFAOYSA-N -1 1 356.447 2.809 20 30 FFEDMM C#CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000191108637 729414448 /nfs/dbraw/zinc/41/44/48/729414448.db2.gz OHEGRPTYDFIXBX-UHFFFAOYSA-N -1 1 356.447 2.809 20 30 FFEDMM C#CC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000859426974 730454491 /nfs/dbraw/zinc/45/44/91/730454491.db2.gz OCPFBEFMISLQHO-VIFPVBQESA-N -1 1 356.658 2.963 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC2(C#N)CCCCC2)o1 ZINC000780488994 738548087 /nfs/dbraw/zinc/54/80/87/738548087.db2.gz XJOMDJCMUZXZRL-UHFFFAOYSA-N -1 1 368.455 2.987 20 30 FFEDMM N#Cc1ccc(C(=O)NC2(c3ncc(Br)cn3)CCC2)cc1[O-] ZINC000886840518 733848209 /nfs/dbraw/zinc/84/82/09/733848209.db2.gz GTYIMYUENJKZBC-UHFFFAOYSA-N -1 1 373.210 2.626 20 30 FFEDMM N#Cc1ccc(CSCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782952006 738767433 /nfs/dbraw/zinc/76/74/33/738767433.db2.gz FRQLMLVCCVSIDQ-UHFFFAOYSA-N -1 1 357.387 2.629 20 30 FFEDMM O=c1nc(NN=Cc2ccc(-c3cccs3)cc2F)nc2[nH][n-]cc1-2 ZINC000731154399 734668620 /nfs/dbraw/zinc/66/86/20/734668620.db2.gz JWDRPZGPMYOSAV-UHFFFAOYSA-N -1 1 354.370 2.746 20 30 FFEDMM COc1ccc(OC(F)F)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000732926728 734776886 /nfs/dbraw/zinc/77/68/86/734776886.db2.gz SXOVHBWUDAJSMF-QTLSWZBMSA-N -1 1 352.289 2.525 20 30 FFEDMM C#CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000733287880 734804255 /nfs/dbraw/zinc/80/42/55/734804255.db2.gz TYRVROBIXXAJQA-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM CC(=NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-] ZINC000748255035 735630709 /nfs/dbraw/zinc/63/07/09/735630709.db2.gz KRGFCVZVQJYXFN-UHFFFAOYSA-N -1 1 369.786 2.656 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000755890263 736286594 /nfs/dbraw/zinc/28/65/94/736286594.db2.gz SBKSLYGAKHDBMM-UHFFFAOYSA-N -1 1 369.349 2.717 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc(C2CC2)no1 ZINC000759021423 736541759 /nfs/dbraw/zinc/54/17/59/736541759.db2.gz RFGFPWJQEPQLJK-ZDUSSCGKSA-N -1 1 352.460 2.647 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000761780807 736761036 /nfs/dbraw/zinc/76/10/36/736761036.db2.gz FWVKKLQNSSRNLO-UHFFFAOYSA-N -1 1 359.354 2.840 20 30 FFEDMM C#CCCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000765418952 737117126 /nfs/dbraw/zinc/11/71/26/737117126.db2.gz MIGLBOGCYDBMOO-UHFFFAOYSA-N -1 1 361.394 2.736 20 30 FFEDMM COc1cccc(S(C)(=O)=O)c1N=NC(C)c1cc(F)cc(F)c1[O-] ZINC000767393865 737321124 /nfs/dbraw/zinc/32/11/24/737321124.db2.gz QLOXBYUMCJHMGN-UHFFFAOYSA-N -1 1 370.377 2.919 20 30 FFEDMM COc1cccc(S(C)(=O)=O)c1NN=C(C)c1cc(F)cc(F)c1[O-] ZINC000767393865 737321127 /nfs/dbraw/zinc/32/11/27/737321127.db2.gz QLOXBYUMCJHMGN-UHFFFAOYSA-N -1 1 370.377 2.919 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cc3ccccc3nc2Cl)c2ccccc21 ZINC000914600412 737585941 /nfs/dbraw/zinc/58/59/41/737585941.db2.gz UEEYVTJMZOBAFQ-UHFFFAOYSA-N -1 1 370.821 2.961 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1nc2ccccc2s1 ZINC000914600822 737586457 /nfs/dbraw/zinc/58/64/57/737586457.db2.gz XVPOMRRAJUHTOS-UHFFFAOYSA-N -1 1 356.432 2.759 20 30 FFEDMM O=S(=O)(Cc1ccccc1)NN=Cc1ccc([O-])c(Br)c1 ZINC000920383125 737904495 /nfs/dbraw/zinc/90/44/95/737904495.db2.gz GQHIJOKZJBKBJQ-UHFFFAOYSA-N -1 1 369.240 2.608 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(F)cccc2OC(F)(F)F)c(=O)o1 ZINC000789128975 739318122 /nfs/dbraw/zinc/31/81/22/739318122.db2.gz XETMSJBQFLCUBM-GJBLVYBDSA-N -1 1 358.243 2.953 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc2c(c1)CCCC2 ZINC000793026948 739732576 /nfs/dbraw/zinc/73/25/76/739732576.db2.gz OOQDDWOQKWXDRQ-UHFFFAOYSA-N -1 1 359.407 2.786 20 30 FFEDMM C#CCSCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819642 741347923 /nfs/dbraw/zinc/34/79/23/741347923.db2.gz BRJCWSJHKVBWDK-UHFFFAOYSA-N -1 1 369.251 2.546 20 30 FFEDMM C=CCCOCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829029 741350339 /nfs/dbraw/zinc/35/03/39/741350339.db2.gz XVNMEAIWBRNSNY-UHFFFAOYSA-N -1 1 369.226 2.773 20 30 FFEDMM C#Cc1cccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810153564 741393162 /nfs/dbraw/zinc/39/31/62/741393162.db2.gz FRBIZTOGOSLMDV-CYBMUJFWSA-N -1 1 353.344 2.590 20 30 FFEDMM CC(Cc1c(Cl)cccc1Cl)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000814843224 741869653 /nfs/dbraw/zinc/86/96/53/741869653.db2.gz PARANTVQJNJQSG-UHFFFAOYSA-N -1 1 351.197 2.769 20 30 FFEDMM N#Cc1ccc(CSCC(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000067079490 845494872 /nfs/dbraw/zinc/49/48/72/845494872.db2.gz OBOYAANOZCHFQG-UHFFFAOYSA-N -1 1 373.507 2.739 20 30 FFEDMM CN(C)S(=O)(=O)c1ccc(Nc2ccc(Cl)c(C#N)c2)c([O-])c1 ZINC001174403731 1013180125 /nfs/dbraw/zinc/18/01/25/1013180125.db2.gz YNTNEYNMUZNXAI-UHFFFAOYSA-N -1 1 351.815 2.911 20 30 FFEDMM CCOC(Cc1c(=O)[n-]c(=S)[nH]c1NC1=CC(=O)C[C@@H](C)C1)OCC ZINC001210770044 962291236 /nfs/dbraw/zinc/29/12/36/962291236.db2.gz YBKBVMOUFLNPNF-JTQLQIEISA-N -1 1 367.471 2.707 20 30 FFEDMM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000255182848 962425098 /nfs/dbraw/zinc/42/50/98/962425098.db2.gz VZGOXDDBAFHKJN-VJIACCKLSA-N -1 1 350.374 2.717 20 30 FFEDMM N#C[C@H](C(=O)CC[C@@H]1CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000176083584 965184462 /nfs/dbraw/zinc/18/44/62/965184462.db2.gz HFSIJKAGFNFFJK-DGCLKSJQSA-N -1 1 371.462 2.856 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000912176591 983972464 /nfs/dbraw/zinc/97/24/64/983972464.db2.gz FXYCVKGZYYYKJN-VQTJNVASSA-N -1 1 350.418 2.862 20 30 FFEDMM COC(=O)c1ccc(NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)c(OC)c1 ZINC000765585255 985210480 /nfs/dbraw/zinc/21/04/80/985210480.db2.gz YOXJNQIYQHWQDY-UHFFFAOYSA-N -1 1 368.349 2.502 20 30 FFEDMM COc1ncc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1N ZINC001203502276 987781196 /nfs/dbraw/zinc/78/11/96/987781196.db2.gz UJBGUYMTEIZXAY-UFWORHAWSA-N -1 1 368.422 2.951 20 30 FFEDMM C=CCCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC001301633504 989660832 /nfs/dbraw/zinc/66/08/32/989660832.db2.gz ZGPCZZZWPRLHQJ-GFCCVEGCSA-N -1 1 367.243 2.734 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3ccncc3)cc2)c(=O)o1 ZINC000915981314 989720017 /nfs/dbraw/zinc/72/00/17/989720017.db2.gz PZXNGTLEHWMDRS-FDIFFNORSA-N -1 1 363.369 2.889 20 30 FFEDMM CN(Cc1ccc(Br)cc1C#N)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598518787 992653409 /nfs/dbraw/zinc/65/34/09/992653409.db2.gz ADRAKXISWKWVJW-HNNXBMFYSA-N -1 1 367.243 2.775 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000185356099 993296188 /nfs/dbraw/zinc/29/61/88/993296188.db2.gz PITXDVYNUAOXGV-AWEZNQCLSA-N -1 1 372.446 2.638 20 30 FFEDMM CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809677412 994578734 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COc1ccc(CNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)nn1 ZINC001196329523 1003744566 /nfs/dbraw/zinc/74/45/66/1003744566.db2.gz FBVZMFYNEAVTMB-UHFFFAOYSA-N -1 1 360.373 2.659 20 30 FFEDMM N#CC1(NC(=O)c2cc(Cl)ncc2[O-])CCN(Cc2ccccc2)CC1 ZINC001196400114 1003762867 /nfs/dbraw/zinc/76/28/67/1003762867.db2.gz MMSDBBYRTTYVCQ-UHFFFAOYSA-N -1 1 370.840 2.729 20 30 FFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)c(F)ccc1CO ZINC001196689782 1003934622 /nfs/dbraw/zinc/93/46/22/1003934622.db2.gz BQCGWCCJMDUOLH-UHFFFAOYSA-N -1 1 358.753 2.783 20 30 FFEDMM N#Cc1cc(F)c(C(=O)[N-]c2n[nH]c(CC(=O)c3ccccc3)n2)c(F)c1 ZINC001191907909 1003982196 /nfs/dbraw/zinc/98/21/96/1003982196.db2.gz URXFBGWIIXGJEB-UHFFFAOYSA-N -1 1 367.315 2.632 20 30 FFEDMM CC(C)(C)c1nc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)no1 ZINC001196994041 1004036083 /nfs/dbraw/zinc/03/60/83/1004036083.db2.gz UBIPKSYFSWTNHB-UHFFFAOYSA-N -1 1 372.303 2.832 20 30 FFEDMM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)ccc([O-])c1F ZINC001192551853 1004189033 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Cc1ccc(S(=O)(=O)[N-]c2nc(F)ccc2Br)cc1C#N ZINC001201295096 1005195439 /nfs/dbraw/zinc/19/54/39/1005195439.db2.gz MMLLHNKQGCFLSD-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)cc1C#N ZINC001201317303 1005198758 /nfs/dbraw/zinc/19/87/58/1005198758.db2.gz OUBPHKCKIRKOQM-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](C)C(=O)N3C)cc1C#N ZINC001201323892 1005199943 /nfs/dbraw/zinc/19/99/43/1005199943.db2.gz QBGAFAAPDLUMPB-CYBMUJFWSA-N -1 1 369.446 2.823 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC2COC2)cc1C#N ZINC001201323651 1005200014 /nfs/dbraw/zinc/20/00/14/1005200014.db2.gz KEAXEHGTKTXZDP-UHFFFAOYSA-N -1 1 362.382 2.584 20 30 FFEDMM CCCCCCCCCCS(=O)(=O)[N-][C@@H]1COCCC12OCCO2 ZINC001201838826 1005277926 /nfs/dbraw/zinc/27/79/26/1005277926.db2.gz RNSOJYNMMDGUCI-MRXNPFEDSA-N -1 1 363.520 2.579 20 30 FFEDMM C=C[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852199002 1005950055 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368.227 2.572 20 30 FFEDMM C#C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])[C@@H]1CCCO1 ZINC000775349186 1007458707 /nfs/dbraw/zinc/45/87/07/1007458707.db2.gz MGXBZSLBXJFIFX-ZBFHGGJFSA-N -1 1 360.410 2.650 20 30 FFEDMM C#C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])[C@H]1CCCO1 ZINC000775349184 1007459029 /nfs/dbraw/zinc/45/90/29/1007459029.db2.gz MGXBZSLBXJFIFX-GOEBONIOSA-N -1 1 360.410 2.650 20 30 FFEDMM COC([O-])=NC(=S)N(C(=O)c1cccc(C#N)c1F)c1ccccc1N ZINC001190557268 1007695488 /nfs/dbraw/zinc/69/54/88/1007695488.db2.gz OPSKLAVJXHQRNP-UHFFFAOYSA-N -1 1 372.381 2.567 20 30 FFEDMM COC(=O)[N-]C(=S)N(C(=O)c1cccc(C#N)c1F)c1ccccc1N ZINC001190557268 1007695492 /nfs/dbraw/zinc/69/54/92/1007695492.db2.gz OPSKLAVJXHQRNP-UHFFFAOYSA-N -1 1 372.381 2.567 20 30 FFEDMM N#Cc1ccc(F)c(S(=O)(=O)Nc2cccc([O-])c2Br)c1 ZINC001190657724 1007738215 /nfs/dbraw/zinc/73/82/15/1007738215.db2.gz IVZDRYDBBKEXEY-UHFFFAOYSA-N -1 1 371.187 2.966 20 30 FFEDMM C=CCC1(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC001190814711 1007812744 /nfs/dbraw/zinc/81/27/44/1007812744.db2.gz MZOGIOVDOSMASY-UHFFFAOYSA-N -1 1 369.386 2.831 20 30 FFEDMM CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1[O-] ZINC001191106797 1007891420 /nfs/dbraw/zinc/89/14/20/1007891420.db2.gz QTGDBXFMFOCMBL-UHFFFAOYSA-N -1 1 357.476 2.734 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@@H]2C[C@@]23c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001179732328 1009425814 /nfs/dbraw/zinc/42/58/14/1009425814.db2.gz XMLFBSDQCFHNLC-KSFYIVLOSA-N -1 1 373.412 2.917 20 30 FFEDMM CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000862614334 1009903259 /nfs/dbraw/zinc/90/32/59/1009903259.db2.gz QCNVLYBDCIAYLS-MRXNPFEDSA-N -1 1 373.453 2.981 20 30 FFEDMM C=CCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)cc1 ZINC000889786682 1010118325 /nfs/dbraw/zinc/11/83/25/1010118325.db2.gz NMKFTUKSBSXCHZ-INIZCTEOSA-N -1 1 369.421 2.662 20 30 FFEDMM COc1cccc([C@H](O)C2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000863738620 1010312054 /nfs/dbraw/zinc/31/20/54/1010312054.db2.gz CNJLVHLSUHZNOM-HXUWFJFHSA-N -1 1 366.417 2.858 20 30 FFEDMM COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000794590209 1010409881 /nfs/dbraw/zinc/40/98/81/1010409881.db2.gz OBJVTFNKOQCRGD-UHFFFAOYSA-N -1 1 373.434 2.752 20 30 FFEDMM N#Cc1cncnc1N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000866142869 1010936985 /nfs/dbraw/zinc/93/69/85/1010936985.db2.gz LAHRYKAQRWZSDZ-LLVKDONJSA-N -1 1 361.327 2.652 20 30 FFEDMM COC(=O)c1ccc(N=NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)c(OC)c1 ZINC000794924505 1011002406 /nfs/dbraw/zinc/00/24/06/1011002406.db2.gz ZUQXNPUOMQFYAX-LBPRGKRZSA-N -1 1 372.377 2.780 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c(C2CC2)c1 ZINC000901973389 1019669796 /nfs/dbraw/zinc/66/97/96/1019669796.db2.gz SIMAEVUTWUQNLU-UHFFFAOYSA-N -1 1 367.430 2.522 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001110984939 1019950872 /nfs/dbraw/zinc/95/08/72/1019950872.db2.gz ORWOPWVNZFWGIX-VWXURSGXSA-N -1 1 370.497 2.883 20 30 FFEDMM COc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1Cn1cccn1 ZINC000749849475 1021061331 /nfs/dbraw/zinc/06/13/31/1021061331.db2.gz BTNHZGSWQTZIEJ-UHFFFAOYSA-N -1 1 352.398 2.580 20 30 FFEDMM CN1CCc2cc(CN=Nc3nc4c(cnn4C(C)(C)C)c(=O)[n-]3)ccc21 ZINC000752730228 1023197932 /nfs/dbraw/zinc/19/79/32/1023197932.db2.gz KLEFBOUHNYGWKB-UHFFFAOYSA-N -1 1 365.441 2.725 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001121615829 1023883346 /nfs/dbraw/zinc/88/33/46/1023883346.db2.gz WCLQAEUFESGHKJ-UHFFFAOYSA-N -1 1 359.743 2.601 20 30 FFEDMM N#Cc1ccnc(NC(=O)c2c[n-]c3cc(Br)ccc3c2=O)c1 ZINC001153872928 1028036807 /nfs/dbraw/zinc/03/68/07/1028036807.db2.gz SBTGZLSLQXHLBL-UHFFFAOYSA-N -1 1 369.178 2.810 20 30 FFEDMM CCc1cc2c(COC(=O)c3ccnc(C#N)c3)cc(=O)oc2cc1[O-] ZINC000795966364 1028385432 /nfs/dbraw/zinc/38/54/32/1028385432.db2.gz KWFZWMSTKKALNV-UHFFFAOYSA-N -1 1 350.330 2.685 20 30 FFEDMM CC(C)(NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1ccc(C#N)cc1 ZINC001155231312 1028637163 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C#C[C@H](Oc1[n-]c(=O)ncc1I)c1ccccc1 ZINC001226771465 1034829766 /nfs/dbraw/zinc/82/97/66/1034829766.db2.gz XCDKOLKHOLJXGY-NSHDSACASA-N -1 1 352.131 2.540 20 30 FFEDMM N#C[C@@H](Oc1[n-]c(=O)ncc1I)c1cccc(F)c1 ZINC001226775551 1034832450 /nfs/dbraw/zinc/83/24/50/1034832450.db2.gz WAXPVORLFZAUOG-SNVBAGLBSA-N -1 1 371.109 2.570 20 30 FFEDMM C=C(C)CN1C[C@]2(CC1=O)COCCN(Cc1ccc(Cl)c([O-])c1)C2 ZINC001277160640 1034864707 /nfs/dbraw/zinc/86/47/07/1034864707.db2.gz HMKSPFYRTKFFIA-LJQANCHMSA-N -1 1 364.873 2.673 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])C[C@H]1C#N ZINC001140465425 1035485406 /nfs/dbraw/zinc/48/54/06/1035485406.db2.gz MYLNQMWQVRKBDW-CQSZACIVSA-N -1 1 351.834 2.990 20 30 FFEDMM C#C[C@H](NC(=O)c1cnc(SC)[n-]c1=O)c1ccc(Cl)cc1F ZINC001140479399 1035488199 /nfs/dbraw/zinc/48/81/99/1035488199.db2.gz ZZGRPRMUWDTPIH-LBPRGKRZSA-N -1 1 351.790 2.801 20 30 FFEDMM O=c1[nH]c2nc(O[C@H](C#Cc3ccccc3)c3ccccc3)[n-]c2c(=O)[nH]1 ZINC001227432993 1035552645 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WNOXHYWLZKLXLO-SQFMLPEHSA-N -1 1 370.313 2.628 20 30 FFEDMM C=C1O[C@@H](C)C(=O)C1Oc1ccccc1S(=O)(=O)c1ccc([O-])cc1 ZINC001229582190 1036759697 /nfs/dbraw/zinc/75/96/97/1036759697.db2.gz NKHBCMNPIWZBKJ-NSHDSACASA-N -1 1 360.387 2.823 20 30 FFEDMM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234044475 1036889546 /nfs/dbraw/zinc/88/95/46/1036889546.db2.gz KYZCALBMQJGTLC-CQSZACIVSA-N -1 1 374.469 2.541 20 30 FFEDMM C=C1O[C@@H](C)C(=O)C1Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229802785 1036908977 /nfs/dbraw/zinc/90/89/77/1036908977.db2.gz LKIRWYLJYVLBSQ-QMMMGPOBSA-N -1 1 354.314 2.956 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](OCCOc2ccccc2C=N[O-])C1 ZINC001234820469 1037191189 /nfs/dbraw/zinc/19/11/89/1037191189.db2.gz WHYNORKDNBCQFS-HNNXBMFYSA-N -1 1 350.415 2.900 20 30 FFEDMM C=CC[C@@H]1[C@H](Oc2nc(C(=O)OC)c[n-]2)CCCN1C(=O)OC(C)(C)C ZINC001230281587 1037194078 /nfs/dbraw/zinc/19/40/78/1037194078.db2.gz AIAIPGCXXJQUSZ-ZIAGYGMSSA-N -1 1 365.430 2.919 20 30 FFEDMM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259460 1037513817 /nfs/dbraw/zinc/51/38/17/1037513817.db2.gz LXQJEUBYYKWWOM-CYBMUJFWSA-N -1 1 365.386 2.948 20 30 FFEDMM C=CCOC(=O)N1CC2(C1)CCN(Cc1cc(C(=O)[O-])ccc1F)CC2 ZINC001231456376 1037598384 /nfs/dbraw/zinc/59/83/84/1037598384.db2.gz VYNXSVNENVEULJ-UHFFFAOYSA-N -1 1 362.401 2.744 20 30 FFEDMM N#Cc1cnc([N-]S(=O)(=O)c2ccc(F)cc2)c(Br)c1 ZINC001251609210 1039205034 /nfs/dbraw/zinc/20/50/34/1039205034.db2.gz UWLMTIBOQDGOKJ-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM CC1(C)CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC001258135820 1039213909 /nfs/dbraw/zinc/21/39/09/1039213909.db2.gz FVPRYUWMMIALFH-UHFFFAOYSA-N -1 1 355.419 2.979 20 30 FFEDMM C#Cc1ccc(NC(=O)N[C@@H](CC(C)C)c2n[n-]c(C(=O)OCC)n2)cc1 ZINC001210354815 1039497695 /nfs/dbraw/zinc/49/76/95/1039497695.db2.gz IOPLLPSWHQOAIR-HNNXBMFYSA-N -1 1 369.425 2.872 20 30 FFEDMM C#Cc1ccc(NC(=O)N[C@@H](CC(C)C)c2nnc(C(=O)OCC)[n-]2)cc1 ZINC001210354815 1039497705 /nfs/dbraw/zinc/49/77/05/1039497705.db2.gz IOPLLPSWHQOAIR-HNNXBMFYSA-N -1 1 369.425 2.872 20 30 FFEDMM C#Cc1ccc(NC(=O)N[C@@H](CC(C)C)c2nc(C(=O)OCC)n[n-]2)cc1 ZINC001210354815 1039497710 /nfs/dbraw/zinc/49/77/10/1039497710.db2.gz IOPLLPSWHQOAIR-HNNXBMFYSA-N -1 1 369.425 2.872 20 30 FFEDMM CN1CCN(c2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cc2C#N)CC1 ZINC001210400551 1039522689 /nfs/dbraw/zinc/52/26/89/1039522689.db2.gz JWAQYQRREUVFJB-UHFFFAOYSA-N -1 1 353.382 2.667 20 30 FFEDMM COc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)nc1Br ZINC001259294779 1039885149 /nfs/dbraw/zinc/88/51/49/1039885149.db2.gz LOZYVVAZUJITHB-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)cc1 ZINC001259326048 1039914913 /nfs/dbraw/zinc/91/49/13/1039914913.db2.gz CKODPDBOBYLPRA-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)ccc1F ZINC001259418791 1039988358 /nfs/dbraw/zinc/98/83/58/1039988358.db2.gz RUYWNUUAMMRONZ-UHFFFAOYSA-N -1 1 359.382 2.773 20 30 FFEDMM COC(Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1)OC ZINC001259419863 1039989406 /nfs/dbraw/zinc/98/94/06/1039989406.db2.gz XITIMUYMBHKVNZ-UHFFFAOYSA-N -1 1 364.398 2.660 20 30 FFEDMM N#Cc1cnc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC001261013262 1040935554 /nfs/dbraw/zinc/93/55/54/1040935554.db2.gz QNKUJLAGBHNRRZ-UHFFFAOYSA-N -1 1 365.333 2.651 20 30 FFEDMM C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001263792602 1042484182 /nfs/dbraw/zinc/48/41/82/1042484182.db2.gz FXXHVXRYOMBNGW-HUUCEWRRSA-N -1 1 361.490 2.554 20 30 FFEDMM C=CCOCCC[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001309688078 1043483002 /nfs/dbraw/zinc/48/30/02/1043483002.db2.gz FOTOWJVYDPFZHO-UHFFFAOYSA-N -1 1 370.215 2.598 20 30 FFEDMM C=CCOCc1nn(C)c2c1CN(Cc1ccc(C(=O)[O-])cc1C)CC2 ZINC001238135779 1043562378 /nfs/dbraw/zinc/56/23/78/1043562378.db2.gz LAIULGWPUOLVMC-UHFFFAOYSA-N -1 1 355.438 2.688 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1NC(=O)N(C)C ZINC001321235809 1045595789 /nfs/dbraw/zinc/59/57/89/1045595789.db2.gz MSYFBVJPZGVYFG-UHFFFAOYSA-N -1 1 372.450 2.955 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001321816454 1045816986 /nfs/dbraw/zinc/81/69/86/1045816986.db2.gz GVKBCWIJZDWSCJ-NXEZZACHSA-N -1 1 360.357 2.620 20 30 FFEDMM O=S1(=O)[N-]/C(=N/C2CCC(O)(c3ccccc3)CC2)c2ccccc21 ZINC001325405949 1046496849 /nfs/dbraw/zinc/49/68/49/1046496849.db2.gz NXOBPSQKORNXOF-UHFFFAOYSA-N -1 1 356.447 2.556 20 30 FFEDMM C=CC[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)C(=O)[O-] ZINC001333315506 1048829923 /nfs/dbraw/zinc/82/99/23/1048829923.db2.gz GWVNEYGAEMCHCA-CVEARBPZSA-N -1 1 365.861 2.805 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccnc(C#N)c2)c([O-])c1 ZINC001297364328 1050147813 /nfs/dbraw/zinc/14/78/13/1050147813.db2.gz AEHMOXDAGCENOA-UHFFFAOYSA-N -1 1 368.393 2.936 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001341924580 1050523018 /nfs/dbraw/zinc/52/30/18/1050523018.db2.gz YEPKPXCVXFCWMW-UHFFFAOYSA-N -1 1 368.445 2.513 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001341924580 1050523030 /nfs/dbraw/zinc/52/30/30/1050523030.db2.gz YEPKPXCVXFCWMW-UHFFFAOYSA-N -1 1 368.445 2.513 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC001340537746 1050927705 /nfs/dbraw/zinc/92/77/05/1050927705.db2.gz FWEQDVMEETVVEC-LLVKDONJSA-N -1 1 354.389 2.823 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@H](OCC)C1 ZINC001340598159 1050983744 /nfs/dbraw/zinc/98/37/44/1050983744.db2.gz CGYPDQSPZRZHEJ-GFCCVEGCSA-N -1 1 363.849 2.890 20 30 FFEDMM N#CC(=C([O-])c1cccc(N2CCCC2=O)c1)c1nc(N)c2ccccc2n1 ZINC001343271051 1052123679 /nfs/dbraw/zinc/12/36/79/1052123679.db2.gz ADKFYOKIAQHSES-MRXNPFEDSA-N -1 1 371.400 2.829 20 30 FFEDMM C=CCc1ccc(OS(=O)(=O)c2[n-]cnc2Br)c(OC)c1 ZINC001308994597 1052534455 /nfs/dbraw/zinc/53/44/55/1052534455.db2.gz NEEGQKOXOHOEON-UHFFFAOYSA-N -1 1 373.228 2.677 20 30 FFEDMM COc1ccc([O-])c(S(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC001309217285 1052576851 /nfs/dbraw/zinc/57/68/51/1052576851.db2.gz NOEIKSLTZUKDOS-DLBZAZTESA-N -1 1 372.446 2.861 20 30 FFEDMM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001348177817 1054725227 /nfs/dbraw/zinc/72/52/27/1054725227.db2.gz XUGOOBRJOIAXFO-OAHLLOKOSA-N -1 1 372.432 2.833 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001351818214 1055017434 /nfs/dbraw/zinc/01/74/34/1055017434.db2.gz DNCMSUIKZFPSMZ-HNNXBMFYSA-N -1 1 365.441 2.641 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCOC2(CCC2)C1 ZINC001351920353 1055065184 /nfs/dbraw/zinc/06/51/84/1055065184.db2.gz NCEXHFWPBXRIDU-UHFFFAOYSA-N -1 1 361.833 2.644 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001356152450 1055337650 /nfs/dbraw/zinc/33/76/50/1055337650.db2.gz FBFJCUJLAOYYFJ-UHFFFAOYSA-N -1 1 365.869 2.687 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CC[C@@H](OCCC(C)C)C1 ZINC001356152352 1055337922 /nfs/dbraw/zinc/33/79/22/1055337922.db2.gz BOTUJDIHALZVGO-GFCCVEGCSA-N -1 1 365.869 2.544 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N(CCC#N)CCOC ZINC001339036231 1056034353 /nfs/dbraw/zinc/03/43/53/1056034353.db2.gz CJJDCHILXHGCLR-UHFFFAOYSA-N -1 1 361.833 2.857 20 30 FFEDMM C[C@H](CC#N)N(C)c1nnc(-c2nc(Cl)n[n-]2)n1Cc1cccs1 ZINC001518609478 1058440923 /nfs/dbraw/zinc/44/09/23/1058440923.db2.gz YTRIDHBCSVMKBL-SECBINFHSA-N -1 1 362.850 2.565 20 30 FFEDMM C=CCCC1(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])CC1 ZINC001515292399 1059506986 /nfs/dbraw/zinc/50/69/86/1059506986.db2.gz LIVKGADSTZPGQI-CVEARBPZSA-N -1 1 371.481 2.891 20 30 FFEDMM C#CC[C@H](CC)c1nnc(N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)n1CC ZINC001520687435 1059964037 /nfs/dbraw/zinc/96/40/37/1059964037.db2.gz RNIVAAKYLBBKGR-UONOGXRCSA-N -1 1 370.457 2.661 20 30 FFEDMM C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2[O-])n1C[C@@H]1CCOC1 ZINC001516205651 1059996588 /nfs/dbraw/zinc/99/65/88/1059996588.db2.gz ONTYQKQJGNUXHI-OLZOCXBDSA-N -1 1 360.845 2.799 20 30 FFEDMM C=CC[C@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2C[C@@H]2CCCCO2)C1 ZINC001516738483 1060212389 /nfs/dbraw/zinc/21/23/89/1060212389.db2.gz DRVAWDKHKVPCTH-GJZGRUSLSA-N -1 1 372.473 2.735 20 30 FFEDMM CC1(C)CCc2onc(C[N-]S(=O)(=O)c3ccsc3C#N)c2C1 ZINC001464420062 1062600308 /nfs/dbraw/zinc/60/03/08/1062600308.db2.gz SOLDAMXAXWURGA-UHFFFAOYSA-N -1 1 351.453 2.601 20 30 FFEDMM C#CCC1([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CCCCC1 ZINC001464623199 1062723992 /nfs/dbraw/zinc/72/39/92/1062723992.db2.gz QTOKDRWATYSOHG-JOCHJYFZSA-N -1 1 354.497 2.704 20 30 FFEDMM N#Cc1ccc(Oc2cccc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)c2)cc1 ZINC001581873497 1079010932 /nfs/dbraw/zinc/01/09/32/1079010932.db2.gz FLMUURJWEDUJLQ-UHFFFAOYSA-N -1 1 372.348 2.506 20 30 FFEDMM N#Cc1ccc(Oc2cccc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)c2)cc1 ZINC001581873497 1079010937 /nfs/dbraw/zinc/01/09/37/1079010937.db2.gz FLMUURJWEDUJLQ-UHFFFAOYSA-N -1 1 372.348 2.506 20 30 FFEDMM N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001581876308 1079012604 /nfs/dbraw/zinc/01/26/04/1079012604.db2.gz MBHNBTVWYILLLQ-UHFFFAOYSA-N -1 1 360.333 2.771 20 30 FFEDMM COc1cnc(C2(NC(=O)Nc3cc(C#N)ccc3F)CCCC2)[n-]c1=O ZINC001562917582 1074600799 /nfs/dbraw/zinc/60/07/99/1074600799.db2.gz ZYSSPPBZIZPGTL-UHFFFAOYSA-N -1 1 371.372 2.793 20 30 FFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1ccc(OC(F)F)cn1 ZINC001556434095 1075740263 /nfs/dbraw/zinc/74/02/63/1075740263.db2.gz NAXYLFKBUMUOSY-UHFFFAOYSA-N -1 1 353.275 2.963 20 30 FFEDMM C=CCCOCCCCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001557252245 1075827726 /nfs/dbraw/zinc/82/77/26/1075827726.db2.gz UYVFNQFVRMMCRX-KBPBESRZSA-N -1 1 364.408 2.807 20 30 FFEDMM C#Cc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c(Cl)c1 ZINC001558644176 1076047789 /nfs/dbraw/zinc/04/77/89/1076047789.db2.gz YSKILGJGSNJXCS-UHFFFAOYSA-N -1 1 354.753 2.631 20 30 FFEDMM C#Cc1ccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c(Cl)c1 ZINC001558644176 1076047793 /nfs/dbraw/zinc/04/77/93/1076047793.db2.gz YSKILGJGSNJXCS-UHFFFAOYSA-N -1 1 354.753 2.631 20 30 FFEDMM C=CCc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])cc(OC)c1OC ZINC001558919780 1076102288 /nfs/dbraw/zinc/10/22/88/1076102288.db2.gz CPBAKHWONNWPGZ-UHFFFAOYSA-N -1 1 361.369 2.913 20 30 FFEDMM N#Cc1c[n-]n2c1nc(CN1CCC(COc3ccccc3)CC1)cc2=O ZINC001559499390 1076167327 /nfs/dbraw/zinc/16/73/27/1076167327.db2.gz RPHIRGNIODBZBJ-UHFFFAOYSA-N -1 1 363.421 2.598 20 30 FFEDMM C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001573689687 1077764649 /nfs/dbraw/zinc/76/46/49/1077764649.db2.gz DVSMSCHIYMHEAF-UIVXKWKOSA-N -1 1 357.454 2.501 20 30 FFEDMM C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001573689689 1077764664 /nfs/dbraw/zinc/76/46/64/1077764664.db2.gz DVSMSCHIYMHEAF-ZFCANOHDSA-N -1 1 357.454 2.501 20 30 FFEDMM C#CCOc1ccccc1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001588363031 1079994251 /nfs/dbraw/zinc/99/42/51/1079994251.db2.gz GKOLWNXWDQEMGM-UHFFFAOYSA-N -1 1 374.326 2.905 20 30 FFEDMM C#CCOc1ccccc1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001588363031 1079994256 /nfs/dbraw/zinc/99/42/56/1079994256.db2.gz GKOLWNXWDQEMGM-UHFFFAOYSA-N -1 1 374.326 2.905 20 30 FFEDMM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001588364541 1079995281 /nfs/dbraw/zinc/99/52/81/1079995281.db2.gz FYUYZZHYHNAHOF-UHFFFAOYSA-N -1 1 373.376 2.517 20 30 FFEDMM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001588364541 1079995287 /nfs/dbraw/zinc/99/52/87/1079995287.db2.gz FYUYZZHYHNAHOF-UHFFFAOYSA-N -1 1 373.376 2.517 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001588400775 1080011193 /nfs/dbraw/zinc/01/11/93/1080011193.db2.gz FUZKKRGHZNKKFO-NOZJJQNGSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001588400775 1080011200 /nfs/dbraw/zinc/01/12/00/1080011200.db2.gz FUZKKRGHZNKKFO-NOZJJQNGSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001588438208 1080028139 /nfs/dbraw/zinc/02/81/39/1080028139.db2.gz NMAPMXFYXWDQOJ-OCCSQVGLSA-N -1 1 368.445 2.919 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001588438208 1080028146 /nfs/dbraw/zinc/02/81/46/1080028146.db2.gz NMAPMXFYXWDQOJ-OCCSQVGLSA-N -1 1 368.445 2.919 20 30 FFEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001588627685 1080127256 /nfs/dbraw/zinc/12/72/56/1080127256.db2.gz FWAPVOUECVYFGH-UHFFFAOYSA-N -1 1 367.500 2.685 20 30 FFEDMM C=CCn1c(SCc2ccc(-c3nnn[n-]3)o2)nnc1-c1cccnc1 ZINC001588711043 1080166199 /nfs/dbraw/zinc/16/61/99/1080166199.db2.gz IHPXUQXAUJDQQC-UHFFFAOYSA-N -1 1 366.410 2.592 20 30 FFEDMM C=CCn1c(SCc2ccc(-c3nn[n-]n3)o2)nnc1-c1cccnc1 ZINC001588711043 1080166202 /nfs/dbraw/zinc/16/62/02/1080166202.db2.gz IHPXUQXAUJDQQC-UHFFFAOYSA-N -1 1 366.410 2.592 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccnn2C2CCC2)o1 ZINC001588781159 1080193292 /nfs/dbraw/zinc/19/32/92/1080193292.db2.gz IWMWTAWOBOZNDW-UHFFFAOYSA-N -1 1 355.406 2.736 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc3[nH]c(=O)oc3c2)o1 ZINC001588781259 1080193728 /nfs/dbraw/zinc/19/37/28/1080193728.db2.gz PKVOFCSEJXRISY-UHFFFAOYSA-N -1 1 368.357 2.661 20 30 FFEDMM CC(C)(C)c1csc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1C#N ZINC001589237275 1080438858 /nfs/dbraw/zinc/43/88/58/1080438858.db2.gz OIIFJJPPJLOIIX-UHFFFAOYSA-N -1 1 353.411 2.745 20 30 FFEDMM CC(C)(C)c1csc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1C#N ZINC001589237275 1080438860 /nfs/dbraw/zinc/43/88/60/1080438860.db2.gz OIIFJJPPJLOIIX-UHFFFAOYSA-N -1 1 353.411 2.745 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2c(C3CCC3)cnn2C)o1 ZINC001589664507 1080657503 /nfs/dbraw/zinc/65/75/03/1080657503.db2.gz JBFDBJXZWGRQNR-UHFFFAOYSA-N -1 1 369.433 2.500 20 30 FFEDMM C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001589937374 1080882119 /nfs/dbraw/zinc/88/21/19/1080882119.db2.gz CVBHLQXHQOHVMN-NSHDSACASA-N -1 1 357.377 2.711 20 30 FFEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590051699 1080980448 /nfs/dbraw/zinc/98/04/48/1080980448.db2.gz YOJYIXLSUDRRIA-SNVBAGLBSA-N -1 1 368.347 2.850 20 30 FFEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590051699 1080980452 /nfs/dbraw/zinc/98/04/52/1080980452.db2.gz YOJYIXLSUDRRIA-SNVBAGLBSA-N -1 1 368.347 2.850 20 30 FFEDMM CN(C(=O)c1ccc(I)c([O-])c1)[C@H]1CCC[C@H]1C#N ZINC000601806326 520962577 /nfs/dbraw/zinc/96/25/77/520962577.db2.gz CUOFJKJHGQJOBF-JQWIXIFHSA-N -1 1 370.190 2.761 20 30 FFEDMM N#CC(=C([O-])c1cccc(OCC(N)=O)c1)c1nc2ccccc2s1 ZINC000041499120 506526157 /nfs/dbraw/zinc/52/61/57/506526157.db2.gz RNTUXYBPINARQF-CYBMUJFWSA-N -1 1 351.387 2.650 20 30 FFEDMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2o1 ZINC000055610337 506797469 /nfs/dbraw/zinc/79/74/69/506797469.db2.gz WJJVWAPCOQADGU-UHFFFAOYSA-N -1 1 356.359 2.892 20 30 FFEDMM C=CCOc1cccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000055724842 506834780 /nfs/dbraw/zinc/83/47/80/506834780.db2.gz FZJATLGXQUYILY-UHFFFAOYSA-N -1 1 359.451 2.936 20 30 FFEDMM CCn1c(C2CCN(C(=O)COc3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000068453319 507236572 /nfs/dbraw/zinc/23/65/72/507236572.db2.gz BODMYRVOIAQCST-UHFFFAOYSA-N -1 1 371.466 2.617 20 30 FFEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000050205647 507673708 /nfs/dbraw/zinc/67/37/08/507673708.db2.gz DVNHRDRZPCJONS-INIZCTEOSA-N -1 1 372.388 2.718 20 30 FFEDMM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000062553974 507674732 /nfs/dbraw/zinc/67/47/32/507674732.db2.gz CXGLIXPHXTXFJP-AWEZNQCLSA-N -1 1 357.435 2.584 20 30 FFEDMM C=CCc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc(OC)c1OC ZINC000029389477 507776542 /nfs/dbraw/zinc/77/65/42/507776542.db2.gz LSSPBXCMYBALMO-UHFFFAOYSA-N -1 1 356.304 2.822 20 30 FFEDMM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000108639378 507909980 /nfs/dbraw/zinc/90/99/80/507909980.db2.gz UHXJCQGPNVRTPW-UHFFFAOYSA-N -1 1 368.418 2.672 20 30 FFEDMM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000075536165 508114988 /nfs/dbraw/zinc/11/49/88/508114988.db2.gz QXQPQLLOVWVCQA-MRVPVSSYSA-N -1 1 361.349 2.928 20 30 FFEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(C)c1 ZINC000114673665 508335510 /nfs/dbraw/zinc/33/55/10/508335510.db2.gz BGABXXVLILKRMC-UHFFFAOYSA-N -1 1 357.435 2.726 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cn1 ZINC000156378919 508410864 /nfs/dbraw/zinc/41/08/64/508410864.db2.gz ZVEXBQKDKAVAOG-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM Cc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cc1C#N ZINC000375583452 512406890 /nfs/dbraw/zinc/40/68/90/512406890.db2.gz KDEKWOAZTBWGKR-OAHLLOKOSA-N -1 1 370.775 2.692 20 30 FFEDMM N#C[C@@H](C(=O)c1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123439565 508687648 /nfs/dbraw/zinc/68/76/48/508687648.db2.gz ZIOXKHPMGVMATA-LBPRGKRZSA-N -1 1 350.403 2.748 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OCCCC#N ZINC000144650429 508840382 /nfs/dbraw/zinc/84/03/82/508840382.db2.gz STKXROLVXOZHHK-XZXOBPBMSA-N -1 1 369.373 2.606 20 30 FFEDMM N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155275686 508964188 /nfs/dbraw/zinc/96/41/88/508964188.db2.gz QDRKUVHUIKEAFE-OAHLLOKOSA-N -1 1 374.404 2.883 20 30 FFEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(F)cc3)nc(=O)c2c1C ZINC000155448106 509003799 /nfs/dbraw/zinc/00/37/99/509003799.db2.gz KUZFFPQDNBCANE-LBPRGKRZSA-N -1 1 356.382 2.986 20 30 FFEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)o1 ZINC000120934001 509091192 /nfs/dbraw/zinc/09/11/92/509091192.db2.gz MNTDSNSVKGVCJB-INIZCTEOSA-N -1 1 366.414 2.660 20 30 FFEDMM C=CCC(CC=C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000163011097 509330414 /nfs/dbraw/zinc/33/04/14/509330414.db2.gz SIMAZKNUKQBWPT-UHFFFAOYSA-N -1 1 350.440 2.540 20 30 FFEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC000173353392 509549271 /nfs/dbraw/zinc/54/92/71/509549271.db2.gz XBEWHAIGWYDQQV-OAHLLOKOSA-N -1 1 352.387 2.519 20 30 FFEDMM C=CCCC[C@H](C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000179778816 509617256 /nfs/dbraw/zinc/61/72/56/509617256.db2.gz XGOUOCUBULOJIN-AWEZNQCLSA-N -1 1 354.454 2.934 20 30 FFEDMM N#Cc1cccc(OCCCCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000264731708 509671181 /nfs/dbraw/zinc/67/11/81/509671181.db2.gz ZKHHIOKFLRRFCF-UHFFFAOYSA-N -1 1 353.304 2.883 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[O-] ZINC000190063245 509918276 /nfs/dbraw/zinc/91/82/76/509918276.db2.gz VLOZPULXNDYNFS-UHFFFAOYSA-N -1 1 369.808 2.515 20 30 FFEDMM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(C#N)c([O-])c2)c(C)c1 ZINC000190109056 509940908 /nfs/dbraw/zinc/94/09/08/509940908.db2.gz UVNSTTYYICHUBV-UHFFFAOYSA-N -1 1 351.406 2.900 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000171449466 510165337 /nfs/dbraw/zinc/16/53/37/510165337.db2.gz HKPKCBGUFAURCO-UHFFFAOYSA-N -1 1 363.421 2.622 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000190738356 510319121 /nfs/dbraw/zinc/31/91/21/510319121.db2.gz UQGNQJASFNMEQP-UHFFFAOYSA-N -1 1 364.398 2.551 20 30 FFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000329996846 510897586 /nfs/dbraw/zinc/89/75/86/510897586.db2.gz PNVNVHQGCOMSNN-UHFFFAOYSA-N -1 1 360.458 2.759 20 30 FFEDMM Cc1cnc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)c([O-])c1 ZINC000330209556 510938108 /nfs/dbraw/zinc/93/81/08/510938108.db2.gz BVPLRMQQWHFESE-UHFFFAOYSA-N -1 1 368.437 2.510 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1nc(C(C)(C)C)no1 ZINC000331049670 511040134 /nfs/dbraw/zinc/04/01/34/511040134.db2.gz HPYPKROCCKVFDM-GFCCVEGCSA-N -1 1 354.476 2.822 20 30 FFEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000288673021 511083140 /nfs/dbraw/zinc/08/31/40/511083140.db2.gz WHDBQQUFDZEWHF-NSHDSACASA-N -1 1 372.365 2.648 20 30 FFEDMM Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000280308032 511414673 /nfs/dbraw/zinc/41/46/73/511414673.db2.gz AXSISYBFNIWZAY-UHFFFAOYSA-N -1 1 371.462 2.813 20 30 FFEDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000324815187 511840525 /nfs/dbraw/zinc/84/05/25/511840525.db2.gz QLKSWCUCJNFGMO-UHFFFAOYSA-N -1 1 364.810 2.728 20 30 FFEDMM COc1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc(Cl)c1[O-] ZINC000328693701 511916612 /nfs/dbraw/zinc/91/66/12/511916612.db2.gz JRDBCTYSNMFMQS-ZBEGNZNMSA-N -1 1 369.845 2.927 20 30 FFEDMM CCCc1c([N-]S(=O)(=O)C[C@@H]2CCCO2)cnn1-c1cccc(C#N)c1 ZINC000376651660 512920760 /nfs/dbraw/zinc/92/07/60/512920760.db2.gz MNJWRSIVVGECIG-INIZCTEOSA-N -1 1 374.466 2.617 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000435592576 513627695 /nfs/dbraw/zinc/62/76/95/513627695.db2.gz LYELUSMCBZBBSN-GWCFXTLKSA-N -1 1 360.819 2.508 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)(F)F ZINC000416495137 513801653 /nfs/dbraw/zinc/80/16/53/513801653.db2.gz LOURCMMRSIEHEL-SSDOTTSWSA-N -1 1 353.188 2.643 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000431188503 513848001 /nfs/dbraw/zinc/84/80/01/513848001.db2.gz AKAMKCPSGBUYMJ-UHFFFAOYSA-N -1 1 355.419 2.583 20 30 FFEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426160665 513861761 /nfs/dbraw/zinc/86/17/61/513861761.db2.gz LJQDHFFFYPGERW-UHFFFAOYSA-N -1 1 358.423 2.876 20 30 FFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000416958352 514067817 /nfs/dbraw/zinc/06/78/17/514067817.db2.gz LPITWADYQAIZDO-CYBMUJFWSA-N -1 1 358.345 2.935 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1C#N ZINC000427195171 514147148 /nfs/dbraw/zinc/14/71/48/514147148.db2.gz BCHSVWWFGQXYRU-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM CC#CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000452169157 514227151 /nfs/dbraw/zinc/22/71/51/514227151.db2.gz NVKWRNVZDLCEBV-GOSISDBHSA-N -1 1 350.418 2.632 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1[O-] ZINC000444626547 514276296 /nfs/dbraw/zinc/27/62/96/514276296.db2.gz USIKQBQYLALVFR-UHFFFAOYSA-N -1 1 350.418 2.721 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475812929 514820885 /nfs/dbraw/zinc/82/08/85/514820885.db2.gz NKVZLBFOCGYBCF-UHFFFAOYSA-N -1 1 370.434 2.861 20 30 FFEDMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476311343 514996443 /nfs/dbraw/zinc/99/64/43/514996443.db2.gz QBVYWGIYXNPTGQ-LBPRGKRZSA-N -1 1 356.856 2.594 20 30 FFEDMM CCC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nn[n-]n1 ZINC000467638381 515068558 /nfs/dbraw/zinc/06/85/58/515068558.db2.gz DVGHWNGSIOZDBU-HNNXBMFYSA-N -1 1 363.381 2.530 20 30 FFEDMM Cc1ccnc([C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C2CC2)n1 ZINC000476523091 515084326 /nfs/dbraw/zinc/08/43/26/515084326.db2.gz HTWYHSAYZMHEOR-OAHLLOKOSA-N -1 1 362.842 2.740 20 30 FFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCCCC#N ZINC000509428655 515173505 /nfs/dbraw/zinc/17/35/05/515173505.db2.gz DQFNAOHKKXKDRO-UHFFFAOYSA-N -1 1 365.238 2.752 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000463790922 515617412 /nfs/dbraw/zinc/61/74/12/515617412.db2.gz RPGSMELJQPTSDF-LBPRGKRZSA-N -1 1 374.418 2.946 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1[O-] ZINC000478148809 515716617 /nfs/dbraw/zinc/71/66/17/515716617.db2.gz LLXSNHRTZPYDHH-ZDUSSCGKSA-N -1 1 366.295 2.626 20 30 FFEDMM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)cn1 ZINC000469950321 516044525 /nfs/dbraw/zinc/04/45/25/516044525.db2.gz LDKGNEDTJCANJB-UHFFFAOYSA-N -1 1 353.407 2.836 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)(F)F)o1 ZINC000561473252 516603751 /nfs/dbraw/zinc/60/37/51/516603751.db2.gz BBACSOABHCKISP-UHFFFAOYSA-N -1 1 360.313 2.571 20 30 FFEDMM CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@@H+]1CCc2ccccc2C1 ZINC000561476379 516605686 /nfs/dbraw/zinc/60/56/86/516605686.db2.gz CIPNZLFGXKFPPN-SFHVURJKSA-N -1 1 373.478 2.512 20 30 FFEDMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000525367125 517019184 /nfs/dbraw/zinc/01/91/84/517019184.db2.gz LVBRFTOVHUDFGV-ZDUSSCGKSA-N -1 1 373.434 2.641 20 30 FFEDMM COc1ccc([O-])c(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000537196919 517082812 /nfs/dbraw/zinc/08/28/12/517082812.db2.gz ZEASSVYWNCDSRJ-UHFFFAOYSA-N -1 1 350.371 2.649 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(C)o1 ZINC000532851249 517165669 /nfs/dbraw/zinc/16/56/69/517165669.db2.gz QJDHFUUWKQUBRV-UHFFFAOYSA-N -1 1 354.771 2.701 20 30 FFEDMM CCC1CCC([N-]S(=O)(=O)CC2(C#N)CCCC2)(C(=O)OC)CC1 ZINC000545366938 517201255 /nfs/dbraw/zinc/20/12/55/517201255.db2.gz TULLDSATFFCDRA-UHFFFAOYSA-N -1 1 356.488 2.502 20 30 FFEDMM CCOC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(OC)c1 ZINC000525950619 517250698 /nfs/dbraw/zinc/25/06/98/517250698.db2.gz HZUCLRPXTILQEF-QGZVFWFLSA-N -1 1 368.389 2.697 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1Cl ZINC000520549686 517430955 /nfs/dbraw/zinc/43/09/55/517430955.db2.gz BZNWRROAXLFMIE-UHFFFAOYSA-N -1 1 370.217 2.765 20 30 FFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000530134761 517583252 /nfs/dbraw/zinc/58/32/52/517583252.db2.gz UCODQWORKYNGHI-UHFFFAOYSA-N -1 1 367.430 2.503 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2CCC(=O)[O-])c(F)c1 ZINC000556702952 517583350 /nfs/dbraw/zinc/58/33/50/517583350.db2.gz GWZYJPVFPZOCBE-RISCZKNCSA-N -1 1 372.393 2.538 20 30 FFEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000560332184 517706519 /nfs/dbraw/zinc/70/65/19/517706519.db2.gz XWRDSZMFEWJGEL-LBPRGKRZSA-N -1 1 352.423 2.614 20 30 FFEDMM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000563722730 518091869 /nfs/dbraw/zinc/09/18/69/518091869.db2.gz IFAYEMQPTCKSCM-OAHLLOKOSA-N -1 1 369.830 2.726 20 30 FFEDMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000535137449 518156803 /nfs/dbraw/zinc/15/68/03/518156803.db2.gz KTAMLWMGXVHBNA-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccco1 ZINC000569969669 518381262 /nfs/dbraw/zinc/38/12/62/518381262.db2.gz AQWYSYUYLYFIME-SFHVURJKSA-N -1 1 369.402 2.623 20 30 FFEDMM N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000577007682 518870780 /nfs/dbraw/zinc/87/07/80/518870780.db2.gz ZPMABQITCYOWPZ-OAHLLOKOSA-N -1 1 370.409 2.602 20 30 FFEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000565276451 518873925 /nfs/dbraw/zinc/87/39/25/518873925.db2.gz PZRLZVAQBADGKR-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000589158509 518934313 /nfs/dbraw/zinc/93/43/13/518934313.db2.gz ZQSCDRKLELOXQI-UHFFFAOYSA-N -1 1 361.854 2.937 20 30 FFEDMM CCN1C[C@H](CN(C)C(=O)c2cc([O-])cc(C#N)c2)Oc2ccccc21 ZINC000589158647 518934365 /nfs/dbraw/zinc/93/43/65/518934365.db2.gz ZBPFNCQISQUKST-KRWDZBQOSA-N -1 1 351.406 2.623 20 30 FFEDMM CCOc1ccc(CN2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000589162742 518935681 /nfs/dbraw/zinc/93/56/81/518935681.db2.gz KBHHPIQRGBKHGR-UHFFFAOYSA-N -1 1 365.433 2.621 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000589167543 518936476 /nfs/dbraw/zinc/93/64/76/518936476.db2.gz AXBYDCYHNXFQLW-UHFFFAOYSA-N -1 1 369.808 2.515 20 30 FFEDMM N#CCc1ccc(NC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000583840772 519459664 /nfs/dbraw/zinc/45/96/64/519459664.db2.gz NGVBQSYTIZQSMA-UHFFFAOYSA-N -1 1 350.350 2.917 20 30 FFEDMM CC[C@](CNC(=O)c1cc([O-])cc(C#N)c1)(C(=O)OC)c1ccccc1 ZINC000591124678 519522248 /nfs/dbraw/zinc/52/22/48/519522248.db2.gz RHMMZTMZOAECBL-HXUWFJFHSA-N -1 1 352.390 2.515 20 30 FFEDMM CSc1nc(C)c(CCC(=O)NCc2ccc(CC#N)cc2)c(=O)[n-]1 ZINC000566679735 519608595 /nfs/dbraw/zinc/60/85/95/519608595.db2.gz DUWRZRJQYVKGPG-UHFFFAOYSA-N -1 1 356.451 2.528 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000597849291 520279840 /nfs/dbraw/zinc/27/98/40/520279840.db2.gz LFZUDVZTEPYYEG-LJQANCHMSA-N -1 1 366.417 2.524 20 30 FFEDMM Cc1ccc(C#N)cc1NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000604531992 520591468 /nfs/dbraw/zinc/59/14/68/520591468.db2.gz RIDZGAHXLROOJU-UHFFFAOYSA-N -1 1 373.416 2.892 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)CCCCC1 ZINC000613949477 520738819 /nfs/dbraw/zinc/73/88/19/520738819.db2.gz NXQQUUPEPUHWRN-ZDUSSCGKSA-N -1 1 356.394 2.792 20 30 FFEDMM C=CCc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc(OC)c1OC ZINC000613956927 520740195 /nfs/dbraw/zinc/74/01/95/520740195.db2.gz GHJRVBYMOAMNJI-UHFFFAOYSA-N -1 1 365.393 2.865 20 30 FFEDMM N#CCC1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000598769712 520837108 /nfs/dbraw/zinc/83/71/08/520837108.db2.gz QVHCFUXSXFSQGT-GOSISDBHSA-N -1 1 363.417 2.522 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000614295338 520895400 /nfs/dbraw/zinc/89/54/00/520895400.db2.gz GWAXMHFIOZLMPM-UHFFFAOYSA-N -1 1 355.438 2.519 20 30 FFEDMM CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000615477592 521417865 /nfs/dbraw/zinc/41/78/65/521417865.db2.gz YVJMJPFWTPTKFB-LJQANCHMSA-N -1 1 369.465 2.907 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000735436208 598929708 /nfs/dbraw/zinc/92/97/08/598929708.db2.gz HJRJKPWAZARQMO-UHFFFAOYSA-N -1 1 371.422 2.541 20 30 FFEDMM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738178904 598987344 /nfs/dbraw/zinc/98/73/44/598987344.db2.gz NDHXYSLXZVQFHA-UHFFFAOYSA-N -1 1 366.384 2.914 20 30 FFEDMM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738178904 598987346 /nfs/dbraw/zinc/98/73/46/598987346.db2.gz NDHXYSLXZVQFHA-UHFFFAOYSA-N -1 1 366.384 2.914 20 30 FFEDMM C[C@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735505327 599198995 /nfs/dbraw/zinc/19/89/95/599198995.db2.gz QNQVIHYTRQZMFY-SNVBAGLBSA-N -1 1 368.784 2.954 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000737466944 598582138 /nfs/dbraw/zinc/58/21/38/598582138.db2.gz IGNCNAVXASNIHF-UHFFFAOYSA-N -1 1 369.719 2.864 20 30 FFEDMM N#CC(C(=O)CCSCC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000739075195 599799313 /nfs/dbraw/zinc/79/93/13/599799313.db2.gz QNRGSBBTECNZFL-VIFPVBQESA-N -1 1 353.350 2.816 20 30 FFEDMM COc1cc2c(cc1OC)CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC000737907056 600561438 /nfs/dbraw/zinc/56/14/38/600561438.db2.gz NABTWWXYAASWPK-LJQANCHMSA-N -1 1 352.390 2.759 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000827217331 601935574 /nfs/dbraw/zinc/93/55/74/601935574.db2.gz BXXNTSPVFRDFMJ-ACJLOTCBSA-N -1 1 361.467 2.816 20 30 FFEDMM N#CC(C(=O)c1csc(CNC(=O)[O-])n1)c1ccc2ccccc2n1 ZINC000740304690 602728265 /nfs/dbraw/zinc/72/82/65/602728265.db2.gz WXLDGMVHOZFEHW-LLVKDONJSA-N -1 1 352.375 2.949 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738492526 602774504 /nfs/dbraw/zinc/77/45/04/602774504.db2.gz SVRAOJMDCVVOGU-OFQRWUPVSA-N -1 1 365.499 2.629 20 30 FFEDMM CC(N=Nc1ccc(Br)cc1Cl)c1cn(CC(=O)[O-])nn1 ZINC000833386512 605012874 /nfs/dbraw/zinc/01/28/74/605012874.db2.gz LRCMEHABCCQTKY-UHFFFAOYSA-N -1 1 372.610 2.615 20 30 FFEDMM N#Cc1ccc2ncc(CN3CCCC[C@@H]3[C@H]3CCCN3C(=O)[O-])n2c1 ZINC000833977059 605558831 /nfs/dbraw/zinc/55/88/31/605558831.db2.gz NJNCTXZHROWTNY-IAGOWNOFSA-N -1 1 353.426 2.703 20 30 FFEDMM N#Cc1ccc2ncc(CN3CCCC[C@@H]3[C@@H]3CCCN3C(=O)[O-])n2c1 ZINC000833977061 605561370 /nfs/dbraw/zinc/56/13/70/605561370.db2.gz NJNCTXZHROWTNY-SJORKVTESA-N -1 1 353.426 2.703 20 30 FFEDMM O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823367594 606107126 /nfs/dbraw/zinc/10/71/26/606107126.db2.gz LWOKXCYFROPCIJ-UHFFFAOYSA-N -1 1 366.384 2.914 20 30 FFEDMM O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823367594 606107130 /nfs/dbraw/zinc/10/71/30/606107130.db2.gz LWOKXCYFROPCIJ-UHFFFAOYSA-N -1 1 366.384 2.914 20 30 FFEDMM N#Cc1ccc(CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC000822826137 606463168 /nfs/dbraw/zinc/46/31/68/606463168.db2.gz UTCPURCFTGYYAP-UHFFFAOYSA-N -1 1 351.801 2.956 20 30 FFEDMM N#Cc1ccc(CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000822826137 606463170 /nfs/dbraw/zinc/46/31/70/606463170.db2.gz UTCPURCFTGYYAP-UHFFFAOYSA-N -1 1 351.801 2.956 20 30 FFEDMM Cc1cc(C)n(N=CCCCCOc2ccccc2)c(=O)c1-c1nn[n-]n1 ZINC000822199089 606632789 /nfs/dbraw/zinc/63/27/89/606632789.db2.gz WGKQWSHNRUXNCD-UHFFFAOYSA-N -1 1 366.425 2.728 20 30 FFEDMM CCCCCCCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825271962 607854664 /nfs/dbraw/zinc/85/46/64/607854664.db2.gz SEUVYGXDRKWVJA-UHFFFAOYSA-N -1 1 374.489 2.993 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1O ZINC000826178834 608092465 /nfs/dbraw/zinc/09/24/65/608092465.db2.gz OLOLWLIUXQYQAI-ARJAWSKDSA-N -1 1 358.379 2.547 20 30 FFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1O ZINC000826178834 608092466 /nfs/dbraw/zinc/09/24/66/608092466.db2.gz OLOLWLIUXQYQAI-ARJAWSKDSA-N -1 1 358.379 2.547 20 30 FFEDMM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401342 609310237 /nfs/dbraw/zinc/31/02/37/609310237.db2.gz WFJGDXMKQKDAEO-PLNGDYQASA-N -1 1 362.212 2.982 20 30 FFEDMM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401342 609310238 /nfs/dbraw/zinc/31/02/38/609310238.db2.gz WFJGDXMKQKDAEO-PLNGDYQASA-N -1 1 362.212 2.982 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1Cl ZINC000156754802 728858518 /nfs/dbraw/zinc/85/85/18/728858518.db2.gz HHTSENLAXJPQMI-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000743267967 735287068 /nfs/dbraw/zinc/28/70/68/735287068.db2.gz QMUHQJPDWUUJSP-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM C=CCn1c(Cc2csc(NC(=O)c3ccccn3)n2)n[n-]c1=S ZINC000026090863 727865789 /nfs/dbraw/zinc/86/57/89/727865789.db2.gz RJCNAPLHXHLCJJ-UHFFFAOYSA-N -1 1 358.452 2.821 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c1 ZINC000076557644 728262759 /nfs/dbraw/zinc/26/27/59/728262759.db2.gz ZCHJBGRRZCHSBB-UHFFFAOYSA-N -1 1 362.382 2.597 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1F ZINC000171264311 729001208 /nfs/dbraw/zinc/00/12/08/729001208.db2.gz BBYCASQUGKZFNO-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM C#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000191058602 729414166 /nfs/dbraw/zinc/41/41/66/729414166.db2.gz BXUGSHXHVPEHHA-UHFFFAOYSA-N -1 1 360.410 2.640 20 30 FFEDMM COc1ccc(Br)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000254885875 729627236 /nfs/dbraw/zinc/62/72/36/729627236.db2.gz UWAQFYDVZFHZEF-OMVNSRBRSA-N -1 1 365.179 2.686 20 30 FFEDMM C[C@@H]1CCN(C(=O)CC2(C#N)CCCCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856414384 730334845 /nfs/dbraw/zinc/33/48/45/730334845.db2.gz JGUQPDCHQIDLCX-OLZOCXBDSA-N -1 1 359.392 2.766 20 30 FFEDMM N#C[C@@H](C(=O)COCC(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000860451489 730513717 /nfs/dbraw/zinc/51/37/17/730513717.db2.gz CWJWNQQOJPRBLL-VIFPVBQESA-N -1 1 367.377 2.734 20 30 FFEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(I)cc1[O-] ZINC000864904956 730890061 /nfs/dbraw/zinc/89/00/61/730890061.db2.gz RRVPHHFZGFDQCH-VIFPVBQESA-N -1 1 358.179 2.619 20 30 FFEDMM O=C(Nc1cc(F)c(F)c(F)c1F)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000871268451 731613921 /nfs/dbraw/zinc/61/39/21/731613921.db2.gz MBQGGFDZMRAVLB-MHTLYPKNSA-N -1 1 358.213 2.639 20 30 FFEDMM C=C1CCC(CNC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000926532639 738627362 /nfs/dbraw/zinc/62/73/62/738627362.db2.gz BTSZOTKXFQUCGB-UHFFFAOYSA-N -1 1 367.471 2.935 20 30 FFEDMM O=C(NO)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000782172331 738694590 /nfs/dbraw/zinc/69/45/90/738694590.db2.gz QYZXNQQCUVJSQF-UHFFFAOYSA-N -1 1 351.156 2.526 20 30 FFEDMM C=C(CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000672482482 733531242 /nfs/dbraw/zinc/53/12/42/733531242.db2.gz NNAQKIPYILRLHP-UHFFFAOYSA-N -1 1 362.451 2.800 20 30 FFEDMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)c1cccc(C#N)c1 ZINC000783022497 738773479 /nfs/dbraw/zinc/77/34/79/738773479.db2.gz CTJNTDCLYWSMJO-JTQLQIEISA-N -1 1 350.421 2.909 20 30 FFEDMM CC(=NNC(=S)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1[O-] ZINC000727778062 734500190 /nfs/dbraw/zinc/50/01/90/734500190.db2.gz ZTYDVQMXEPQFEY-UHFFFAOYSA-N -1 1 361.398 2.648 20 30 FFEDMM C#CCOc1ccccc1OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000730511253 734639145 /nfs/dbraw/zinc/63/91/45/734639145.db2.gz IIARWJOITXJHHN-UHFFFAOYSA-N -1 1 358.419 2.763 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2cnc3c(C)cc(Br)cn23)n1 ZINC000783772837 738835466 /nfs/dbraw/zinc/83/54/66/738835466.db2.gz SKQCSOAWTZDWKP-UHFFFAOYSA-N -1 1 361.203 2.655 20 30 FFEDMM CCNc1nc(N=NCc2ccc(C(=O)[O-])cc2Cl)nc(NCC)n1 ZINC000783798071 738837984 /nfs/dbraw/zinc/83/79/84/738837984.db2.gz DNWKNOYFJIFWBP-UHFFFAOYSA-N -1 1 363.809 2.533 20 30 FFEDMM O=C([O-])COc1cccc(C=NNc2ccc(Br)cn2)c1 ZINC000733204780 734797964 /nfs/dbraw/zinc/79/79/64/734797964.db2.gz ZBWFSKBGMAYUCP-UHFFFAOYSA-N -1 1 350.172 2.754 20 30 FFEDMM O=c1nc(C=N[O-])ccn1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000736302788 734981509 /nfs/dbraw/zinc/98/15/09/734981509.db2.gz RDETWVSLYRLGSB-UHFFFAOYSA-N -1 1 360.826 2.800 20 30 FFEDMM N#C[C@H](C(=O)C[C@H]1CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000740527857 735077307 /nfs/dbraw/zinc/07/73/07/735077307.db2.gz LPHHQMBSDWJWNE-ZYHUDNBSSA-N -1 1 357.435 2.879 20 30 FFEDMM COc1cc(OCC(=O)N([O-])Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000901373978 735771988 /nfs/dbraw/zinc/77/19/88/735771988.db2.gz BNXRNPNYKBOIEM-UHFFFAOYSA-N -1 1 350.302 2.539 20 30 FFEDMM N#CC[C@H]([N-]S(=O)(=O)c1ccccc1Br)C(F)(F)F ZINC000901775033 735837589 /nfs/dbraw/zinc/83/75/89/735837589.db2.gz JKVQPNGTXDVWKO-VIFPVBQESA-N -1 1 357.151 2.572 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751731881 735912604 /nfs/dbraw/zinc/91/26/04/735912604.db2.gz PGFZTXMJZUYWHC-XXFAHNHDSA-N -1 1 356.781 2.784 20 30 FFEDMM O=S(=O)(CCc1ccccc1)NN=Cc1c([O-])ccc(Cl)c1F ZINC000790168475 739424310 /nfs/dbraw/zinc/42/43/10/739424310.db2.gz XJSJFMZJLWUAIE-UHFFFAOYSA-N -1 1 356.806 2.681 20 30 FFEDMM Cc1ccc2c(c1)C(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000753933749 736107489 /nfs/dbraw/zinc/10/74/89/736107489.db2.gz ZUKMRCMFICRZDQ-UHFFFAOYSA-N -1 1 359.407 2.922 20 30 FFEDMM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cc(CC#N)ccn1)CC2 ZINC000758401975 736484247 /nfs/dbraw/zinc/48/42/47/736484247.db2.gz GVYDHWNXEMREBJ-UHFFFAOYSA-N -1 1 355.419 2.885 20 30 FFEDMM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccco1 ZINC000762773637 736866598 /nfs/dbraw/zinc/86/65/98/736866598.db2.gz SEEGIPIXXQUGSR-UHFFFAOYSA-N -1 1 360.361 2.885 20 30 FFEDMM C#CCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000764934844 737065210 /nfs/dbraw/zinc/06/52/10/737065210.db2.gz NXXGHKHZKSQJOF-UHFFFAOYSA-N -1 1 360.211 2.525 20 30 FFEDMM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1 ZINC000766622287 737246908 /nfs/dbraw/zinc/24/69/08/737246908.db2.gz FRCQOGOXFCLIIR-LBPRGKRZSA-N -1 1 366.208 2.956 20 30 FFEDMM C#C[C@H](C)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000767439121 737325636 /nfs/dbraw/zinc/32/56/36/737325636.db2.gz BSTBDFGVMLPVST-NSHDSACASA-N -1 1 351.378 2.619 20 30 FFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000915041127 737603367 /nfs/dbraw/zinc/60/33/67/737603367.db2.gz MGQJIVQYDMBGFK-SAHAZLINSA-N -1 1 368.402 2.670 20 30 FFEDMM C[C@H](C#N)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000770950318 737678682 /nfs/dbraw/zinc/67/86/82/737678682.db2.gz OZGJJBHQXJZOPT-GFCCVEGCSA-N -1 1 362.382 2.943 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(N(C)C)cc1 ZINC000773084550 737869793 /nfs/dbraw/zinc/86/97/93/737869793.db2.gz QWGFGTIALROUGS-NSHDSACASA-N -1 1 365.405 2.942 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC1CCC(C#N)CC1 ZINC000922391243 738135869 /nfs/dbraw/zinc/13/58/69/738135869.db2.gz AMAQIYDONZLELM-UHFFFAOYSA-N -1 1 350.440 2.935 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)o1 ZINC000776375905 738188644 /nfs/dbraw/zinc/18/86/44/738188644.db2.gz SKZSGXQGMSGRJN-AWEZNQCLSA-N -1 1 368.455 2.986 20 30 FFEDMM O=c1nc(NN=Cc2cnc(-c3ccc(Cl)cc3)s2)nc2[nH][n-]cc1-2 ZINC000789018162 739308752 /nfs/dbraw/zinc/30/87/52/739308752.db2.gz PZKWZYSZRABPMG-UHFFFAOYSA-N -1 1 371.813 2.655 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccsc2Cl)cc1 ZINC000790160133 739423191 /nfs/dbraw/zinc/42/31/91/739423191.db2.gz WBFUHCDMSAMQCI-UHFFFAOYSA-N -1 1 359.816 2.763 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)c(Cl)c1 ZINC000794583615 739907205 /nfs/dbraw/zinc/90/72/05/739907205.db2.gz BMPXZODMKIUOTQ-UHFFFAOYSA-N -1 1 373.825 2.788 20 30 FFEDMM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1F ZINC000794585671 739907688 /nfs/dbraw/zinc/90/76/88/739907688.db2.gz UEFAZZZXZXBERO-UHFFFAOYSA-N -1 1 363.370 2.871 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCC(C(F)F)CC2)cc1 ZINC000799479379 740421746 /nfs/dbraw/zinc/42/17/46/740421746.db2.gz OZADXHLEIHPDEU-UHFFFAOYSA-N -1 1 361.370 2.826 20 30 FFEDMM N#Cc1ccc(N2CC[C@H](C(=O)Nc3nc(Cl)ccc3[O-])C2)c(F)c1 ZINC000804614028 740889078 /nfs/dbraw/zinc/88/90/78/740889078.db2.gz GFSDGVQBQPQIGQ-NSHDSACASA-N -1 1 360.776 2.916 20 30 FFEDMM Cn1cnc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)c1Cl ZINC000814288112 741809797 /nfs/dbraw/zinc/80/97/97/741809797.db2.gz PJJQXITVXFOLKC-CYBMUJFWSA-N -1 1 352.847 2.787 20 30 FFEDMM C#CC[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)OC ZINC000817612370 742181287 /nfs/dbraw/zinc/18/12/87/742181287.db2.gz NWZCAJFOYXLJED-NSHDSACASA-N -1 1 350.148 2.766 20 30 FFEDMM C#CCO[C@@H](C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000834705770 745886858 /nfs/dbraw/zinc/88/68/58/745886858.db2.gz NOBOMSGBCGNAEE-QMMMGPOBSA-N -1 1 353.172 2.924 20 30 FFEDMM [O-]c1cccc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)c1Br ZINC000841613927 747419772 /nfs/dbraw/zinc/41/97/72/747419772.db2.gz JIQUDORUPHUZIX-JTQLQIEISA-N -1 1 369.244 2.769 20 30 FFEDMM C=C[C@H](C)O[N-]C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000846549743 748500481 /nfs/dbraw/zinc/50/04/81/748500481.db2.gz LFDTWGYMTSWHLN-AAEUAGOBSA-N -1 1 356.344 2.676 20 30 FFEDMM C=CCOc1ccccc1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001573348505 947584097 /nfs/dbraw/zinc/58/40/97/947584097.db2.gz RFVYLWDHIYIJAR-UHFFFAOYSA-N -1 1 371.347 2.640 20 30 FFEDMM C=CCOc1ccccc1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001573348505 947584099 /nfs/dbraw/zinc/58/40/99/947584099.db2.gz RFVYLWDHIYIJAR-UHFFFAOYSA-N -1 1 371.347 2.640 20 30 FFEDMM CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001593764494 954503133 /nfs/dbraw/zinc/50/31/33/954503133.db2.gz AFESAQIUNUAHNB-HNNXBMFYSA-N -1 1 368.315 2.545 20 30 FFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)CCCC(=O)[O-])c1C#N ZINC001594253071 959628957 /nfs/dbraw/zinc/62/89/57/959628957.db2.gz NLNXRYYRULCLNF-UHFFFAOYSA-N -1 1 368.437 2.701 20 30 FFEDMM CCN(CC)S(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2ccccn2)ccc1C ZINC000046705965 970726363 /nfs/dbraw/zinc/72/63/63/970726363.db2.gz LSTVNWFHPKINDY-INIZCTEOSA-N -1 1 371.462 2.911 20 30 FFEDMM C=C1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)c4ncccc4[O-])C[C@@H]32)CC1 ZINC000975676292 973098433 /nfs/dbraw/zinc/09/84/33/973098433.db2.gz MDKXGKDGOIVTPJ-RDJZCZTQSA-N -1 1 369.465 2.597 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000909136269 981636900 /nfs/dbraw/zinc/63/69/00/981636900.db2.gz FYLBJGJAEYABRC-CRAIPNDOSA-N -1 1 374.485 2.716 20 30 FFEDMM C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000909238820 981661351 /nfs/dbraw/zinc/66/13/51/981661351.db2.gz BDODEQQGDPEMFZ-CYBMUJFWSA-N -1 1 358.446 2.823 20 30 FFEDMM CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595797485 982606751 /nfs/dbraw/zinc/60/67/51/982606751.db2.gz WOZNKNGEOHPLKL-CYBMUJFWSA-N -1 1 355.350 2.677 20 30 FFEDMM CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001595797485 982606753 /nfs/dbraw/zinc/60/67/53/982606753.db2.gz WOZNKNGEOHPLKL-CYBMUJFWSA-N -1 1 355.350 2.677 20 30 FFEDMM COc1cccc(NC(=S)NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)c1 ZINC000765555712 985187103 /nfs/dbraw/zinc/18/71/03/985187103.db2.gz JUBQENVIYNENHD-UHFFFAOYSA-N -1 1 369.406 2.590 20 30 FFEDMM CN(Cc1cc(C(=O)[O-])c2n1CCCC2)C[C@@H](O)c1cccc(C#N)c1 ZINC001598507410 992523960 /nfs/dbraw/zinc/52/39/60/992523960.db2.gz PLHFGKQBMGZXOQ-LJQANCHMSA-N -1 1 353.422 2.560 20 30 FFEDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809783115 994612298 /nfs/dbraw/zinc/61/22/98/994612298.db2.gz RKORTKUFBJPIFU-WBMJQRKESA-N -1 1 359.426 2.639 20 30 FFEDMM COC(=O)c1cccc([C@H](C(=O)[O-])N2CCc3c(CC#N)cccc3C2)c1 ZINC001598997466 998793018 /nfs/dbraw/zinc/79/30/18/998793018.db2.gz MDXSMLIAZDYDSP-LJQANCHMSA-N -1 1 364.401 2.723 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1cccc(OCCCc2ccccc2)c1 ZINC000766482236 999997018 /nfs/dbraw/zinc/99/70/18/999997018.db2.gz HEBOSNIMABZZAN-UHFFFAOYSA-N -1 1 366.446 2.821 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001169539357 1000057585 /nfs/dbraw/zinc/05/75/85/1000057585.db2.gz IJTDBNLBFVGKPY-KDOFPFPSSA-N -1 1 364.449 2.608 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000769646650 1000568721 /nfs/dbraw/zinc/56/87/21/1000568721.db2.gz XIUSTEICFVZDCR-CQSZACIVSA-N -1 1 372.446 2.590 20 30 FFEDMM Cc1cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc(C)c1OC(F)F ZINC000769816686 1000598499 /nfs/dbraw/zinc/59/84/99/1000598499.db2.gz FXXZKCVXAPKQLE-UHFFFAOYSA-N -1 1 362.340 2.733 20 30 FFEDMM O=C1N=C(N=NC2CCCCC[C@H]2c2ccccc2C(F)(F)F)[N-]C1=O ZINC000770606533 1000859953 /nfs/dbraw/zinc/85/99/53/1000859953.db2.gz BHYJRWOKCPXLCU-NSHDSACASA-N -1 1 366.343 2.711 20 30 FFEDMM N#Cc1ccc(OC2CCN(CC(=O)[N-]OCc3ccccc3)CC2)cc1 ZINC000772185676 1001314459 /nfs/dbraw/zinc/31/44/59/1001314459.db2.gz ZTUFDGLRSYWGPP-UHFFFAOYSA-N -1 1 365.433 2.649 20 30 FFEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000746680922 1001691324 /nfs/dbraw/zinc/69/13/24/1001691324.db2.gz APKWYJSDLBLXSS-LLVKDONJSA-N -1 1 359.338 2.901 20 30 FFEDMM N#C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1ccc(F)cc1 ZINC001186428519 1003318372 /nfs/dbraw/zinc/31/83/72/1003318372.db2.gz RGPIDQYKQRWOQB-CYBMUJFWSA-N -1 1 370.203 2.526 20 30 FFEDMM CC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186737862 1003402516 /nfs/dbraw/zinc/40/25/16/1003402516.db2.gz UASGUZGISRMBLZ-NSHDSACASA-N -1 1 353.188 2.698 20 30 FFEDMM CSc1ncc(C(=O)N2CCC(C#Cc3ccccc3)CC2)c(=O)[n-]1 ZINC001191431080 1003822600 /nfs/dbraw/zinc/82/26/00/1003822600.db2.gz QDCJSXDDHRMRKL-UHFFFAOYSA-N -1 1 353.447 2.808 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)n(-c2ccncc2)n1 ZINC001196651908 1003903085 /nfs/dbraw/zinc/90/30/85/1003903085.db2.gz MFGWDNFQZGVIAE-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(CO)cc2)ccc1Br ZINC001197310786 1004157264 /nfs/dbraw/zinc/15/72/64/1004157264.db2.gz KHZZBTUECKKKDU-UHFFFAOYSA-N -1 1 367.224 2.614 20 30 FFEDMM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)Cc2ccccn2)nc1 ZINC001197835893 1004375117 /nfs/dbraw/zinc/37/51/17/1004375117.db2.gz ZWCOJPSIVVWBEL-UHFFFAOYSA-N -1 1 350.403 2.957 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1CC1CCOCC1 ZINC001193111569 1004377179 /nfs/dbraw/zinc/37/71/79/1004377179.db2.gz IYZHHFOFEGSVIM-AWEZNQCLSA-N -1 1 374.466 2.630 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)OCC ZINC001193572633 1004515318 /nfs/dbraw/zinc/51/53/18/1004515318.db2.gz FLFDZKFOIUORCO-SNVBAGLBSA-N -1 1 370.229 2.832 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccccc2CN2CCCC2)c1 ZINC001193680182 1004548584 /nfs/dbraw/zinc/54/85/84/1004548584.db2.gz AJQMZGVWVMCEHQ-UHFFFAOYSA-N -1 1 371.462 2.963 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-][C@H](c2cccnc2)C(F)(F)F)c1 ZINC001193697238 1004558353 /nfs/dbraw/zinc/55/83/53/1004558353.db2.gz VRONIPVWSLOFRC-CQSZACIVSA-N -1 1 371.340 2.544 20 30 FFEDMM CCCCCCCOC(=O)NCC[N-]C(=O)C(F)(F)Br ZINC001194020417 1004631991 /nfs/dbraw/zinc/63/19/91/1004631991.db2.gz YFHULQUSSFGFJM-UHFFFAOYSA-N -1 1 359.211 2.787 20 30 FFEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccnc1C(=O)OC(C)C ZINC001194021886 1004631997 /nfs/dbraw/zinc/63/19/97/1004631997.db2.gz IBMUXMLUBGUOMF-UHFFFAOYSA-N -1 1 373.390 2.619 20 30 FFEDMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)ccc21 ZINC001201287430 1005188252 /nfs/dbraw/zinc/18/82/52/1005188252.db2.gz KAJQLRNFTGIBRG-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM COC(=O)[C@@H]1CCc2cc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)ccc21 ZINC001201324017 1005199887 /nfs/dbraw/zinc/19/98/87/1005199887.db2.gz UTDRQZHVTPXIDR-GOSISDBHSA-N -1 1 370.430 2.870 20 30 FFEDMM N#Cc1coc(C[N-]S(=O)(=O)c2cccc(F)c2Br)c1 ZINC001201790107 1005274035 /nfs/dbraw/zinc/27/40/35/1005274035.db2.gz TXEOPGHBUUIQRQ-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(OCC#N)c1 ZINC001116186200 1032177356 /nfs/dbraw/zinc/17/73/56/1032177356.db2.gz PMNYBGIPORFTON-UHFFFAOYSA-N -1 1 354.410 2.621 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000816866200 1007231943 /nfs/dbraw/zinc/23/19/43/1007231943.db2.gz JJNHMSZVWZMGRU-MRXNPFEDSA-N -1 1 371.437 2.783 20 30 FFEDMM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Br)c([O-])c1 ZINC000855497309 1007374257 /nfs/dbraw/zinc/37/42/57/1007374257.db2.gz WURSPGYDCYUQNP-UHFFFAOYSA-N -1 1 368.227 2.572 20 30 FFEDMM C=CCOCCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817491534 1007619145 /nfs/dbraw/zinc/61/91/45/1007619145.db2.gz YQBNNAPMTGBBIY-AWEZNQCLSA-N -1 1 370.371 2.606 20 30 FFEDMM Cc1cccc([O-])c1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000859976174 1008758489 /nfs/dbraw/zinc/75/84/89/1008758489.db2.gz SNSUDYNGUCQWPK-UHFFFAOYSA-N -1 1 351.406 2.786 20 30 FFEDMM N#C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl ZINC001136629940 1008766539 /nfs/dbraw/zinc/76/65/39/1008766539.db2.gz AOJMSFOLSHMCGP-JTQLQIEISA-N -1 1 367.148 2.997 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@H]2C[C@]23c2ccccc2N(CC2CC2)C3=O)c([O-])c1 ZINC001179732330 1009425156 /nfs/dbraw/zinc/42/51/56/1009425156.db2.gz XMLFBSDQCFHNLC-ZHRRBRCNSA-N -1 1 373.412 2.917 20 30 FFEDMM C#CC[C@@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000862571193 1009883969 /nfs/dbraw/zinc/88/39/69/1009883969.db2.gz QCJZHSXKXPGLOE-LLVKDONJSA-N -1 1 370.327 2.988 20 30 FFEDMM CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889790981 1010122302 /nfs/dbraw/zinc/12/23/02/1010122302.db2.gz WDMHNTKAVPZYEH-UONOGXRCSA-N -1 1 364.446 2.826 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCOC2=O)c1 ZINC000794579897 1010371890 /nfs/dbraw/zinc/37/18/90/1010371890.db2.gz RMISEQZBLRHNGG-UHFFFAOYSA-N -1 1 371.418 2.506 20 30 FFEDMM C[C@H]1CCN(C(=O)c2ccccc2CC#N)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000868351838 1011259569 /nfs/dbraw/zinc/25/95/69/1011259569.db2.gz IJLAENFAFCBUQN-HUBLWGQQSA-N -1 1 367.371 2.670 20 30 FFEDMM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1c(F)ccc([O-])c1F)CC2 ZINC001274850938 1011697373 /nfs/dbraw/zinc/69/73/73/1011697373.db2.gz XJILEVQWTGOJGM-GFCCVEGCSA-N -1 1 364.392 2.605 20 30 FFEDMM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1cc([O-])cc(F)c1F)CC2 ZINC001274859960 1011706777 /nfs/dbraw/zinc/70/67/77/1011706777.db2.gz BJFLPVDGSZBMND-AWEZNQCLSA-N -1 1 364.392 2.605 20 30 FFEDMM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc([O-])cc(F)c1F ZINC001274861924 1011708762 /nfs/dbraw/zinc/70/87/62/1011708762.db2.gz RKIRRCUVGRUMDH-IBGZPJMESA-N -1 1 364.392 2.844 20 30 FFEDMM N#Cc1cccc(CC(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC000870161781 1012227647 /nfs/dbraw/zinc/22/76/47/1012227647.db2.gz XAACOCORCNWDBA-UHFFFAOYSA-N -1 1 369.852 2.804 20 30 FFEDMM CCOCn1nc(C)c(C[C@@H](C)C(=O)[N-]Oc2cccc(C#N)c2)c1C ZINC000870690895 1012527461 /nfs/dbraw/zinc/52/74/61/1012527461.db2.gz WGEKCWCYRFZSPL-CYBMUJFWSA-N -1 1 356.426 2.654 20 30 FFEDMM 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C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001292349295 1049300313 /nfs/dbraw/zinc/30/03/13/1049300313.db2.gz OLNKISLUNJHUPB-RVHYNSKXSA-N -1 1 371.481 2.748 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N(C)Cc1scnc1C ZINC001342533676 1051138072 /nfs/dbraw/zinc/13/80/72/1051138072.db2.gz XUJKEEXDUDNMKB-UHFFFAOYSA-N -1 1 364.866 2.694 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)Cc1ccn(C)n1 ZINC001342950818 1051564375 /nfs/dbraw/zinc/56/43/75/1051564375.db2.gz LMLJXVWGXCQHTC-UHFFFAOYSA-N -1 1 373.848 2.645 20 30 FFEDMM C=C1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2cccs2)CC1 ZINC001345959363 1052685074 /nfs/dbraw/zinc/68/50/74/1052685074.db2.gz BICDZRPRPGLPML-UHFFFAOYSA-N -1 1 361.862 2.983 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001345994374 1052699431 /nfs/dbraw/zinc/69/94/31/1052699431.db2.gz PVVRCRCDFCUCRK-NXEZZACHSA-N -1 1 353.883 2.623 20 30 FFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001348630263 1054829326 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HUGGGDZULCQEGB-UHFFFAOYSA-N -1 1 363.849 2.626 20 30 FFEDMM C#CC[C@@H](CC)c1nnc(N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)n1CC ZINC001520687436 1059964100 /nfs/dbraw/zinc/96/41/00/1059964100.db2.gz RNIVAAKYLBBKGR-ZIAGYGMSSA-N -1 1 370.457 2.661 20 30 FFEDMM CCn1ccnc1C(C#N)=C([O-])c1nc(C(F)(F)F)n2c1CCCC2 ZINC001517047750 1060323362 /nfs/dbraw/zinc/32/33/62/1060323362.db2.gz YGOZCBFHPKNDPV-SNVBAGLBSA-N -1 1 351.332 2.945 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)cc1[O-] ZINC001457379821 1060358232 /nfs/dbraw/zinc/35/82/32/1060358232.db2.gz AJGUUYTWZIGLQP-UZLBHIALSA-N -1 1 350.374 2.677 20 30 FFEDMM C#C[C@@H](NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)c1ccccc1 ZINC000848664140 1060419018 /nfs/dbraw/zinc/41/90/18/1060419018.db2.gz XHBHANYGRUUBEX-BPLDGKMQSA-N -1 1 367.371 2.602 20 30 FFEDMM C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Cl)C(=O)OC ZINC001475689168 1061209104 /nfs/dbraw/zinc/20/91/04/1061209104.db2.gz PXLXCOSFGRVGRK-AWEZNQCLSA-N -1 1 363.838 2.796 20 30 FFEDMM C=C(C)C[C@H]([N-]S(=O)(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)OC ZINC001464254665 1062508657 /nfs/dbraw/zinc/50/86/57/1062508657.db2.gz JBBDWYNWTQRORT-AWEZNQCLSA-N -1 1 371.842 2.501 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(CC)CC ZINC001524120805 1062730091 /nfs/dbraw/zinc/73/00/91/1062730091.db2.gz ZZEFXBIYYMRZAX-UHFFFAOYSA-N -1 1 365.441 2.925 20 30 FFEDMM C=CC(C)(C)CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2ncccc2[O-])C1 ZINC001574719402 1078071609 /nfs/dbraw/zinc/07/16/09/1078071609.db2.gz MIPYASHLPOZTIN-BTYIYWSLSA-N -1 1 371.481 2.748 20 30 FFEDMM N#CCCN(C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1 ZINC001581858203 1079008732 /nfs/dbraw/zinc/00/87/32/1079008732.db2.gz VGLLCBXHXHVVJN-UHFFFAOYSA-N -1 1 372.310 2.844 20 30 FFEDMM N#CCCN(C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccc(F)cc1 ZINC001581858203 1079008740 /nfs/dbraw/zinc/00/87/40/1079008740.db2.gz VGLLCBXHXHVVJN-UHFFFAOYSA-N -1 1 372.310 2.844 20 30 FFEDMM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001581874348 1079010384 /nfs/dbraw/zinc/01/03/84/1079010384.db2.gz NPTFZIVPUOYPOU-AWEZNQCLSA-N -1 1 350.407 2.607 20 30 FFEDMM N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001581871349 1079010648 /nfs/dbraw/zinc/01/06/48/1079010648.db2.gz QVOQVOKRFUNYQF-UHFFFAOYSA-N -1 1 371.360 2.573 20 30 FFEDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)cc1F ZINC001561172915 1076342030 /nfs/dbraw/zinc/34/20/30/1076342030.db2.gz OSSBQRKMLQRALC-LLVKDONJSA-N -1 1 363.370 2.954 20 30 FFEDMM C#Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC001561536984 1076390212 /nfs/dbraw/zinc/39/02/12/1076390212.db2.gz OPDKXUPBIQOUCC-UHFFFAOYSA-N -1 1 366.236 2.615 20 30 FFEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(F)cc1 ZINC001561785924 1076422874 /nfs/dbraw/zinc/42/28/74/1076422874.db2.gz UPKSCAIFLXNKQC-UHFFFAOYSA-N -1 1 358.316 2.907 20 30 FFEDMM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1c(C)cccc1C#N)c1ccccc1 ZINC001561938355 1076449861 /nfs/dbraw/zinc/44/98/61/1076449861.db2.gz PJWQUHCGZIMTKD-IBGZPJMESA-N -1 1 372.446 2.624 20 30 FFEDMM CCOC(=O)[C@]([N-]C(=O)CC(F)(F)C(F)(F)F)(C1CC1)C(F)(F)F ZINC001586256192 1079584868 /nfs/dbraw/zinc/58/48/68/1079584868.db2.gz RYYSJYOJRNQZCG-SNVBAGLBSA-N -1 1 371.224 2.965 20 30 FFEDMM C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001588393916 1080007005 /nfs/dbraw/zinc/00/70/05/1080007005.db2.gz SUWWJRPNBSUMMC-JTQLQIEISA-N -1 1 363.491 2.541 20 30 FFEDMM C=C(C)CCC(=O)N[C@H](C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001588415226 1080017757 /nfs/dbraw/zinc/01/77/57/1080017757.db2.gz GHRPYAYETGWIRQ-LLVKDONJSA-N -1 1 363.491 2.685 20 30 FFEDMM C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588415564 1080018705 /nfs/dbraw/zinc/01/87/05/1080018705.db2.gz NTQRZKKAAPMLCJ-DTWKUNHWSA-N -1 1 369.882 2.638 20 30 FFEDMM C=C(C)CN(CC)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001588426023 1080023344 /nfs/dbraw/zinc/02/33/44/1080023344.db2.gz HAPBDTSPTUKTCJ-UHFFFAOYSA-N -1 1 358.471 2.899 20 30 FFEDMM C=C(C)CN(CC)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC(=C)C ZINC001588426032 1080023541 /nfs/dbraw/zinc/02/35/41/1080023541.db2.gz HMUNNZCSRRLMHV-UHFFFAOYSA-N -1 1 354.418 2.697 20 30 FFEDMM C=C(C)CN(CC)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC(=C)C ZINC001588426032 1080023552 /nfs/dbraw/zinc/02/35/52/1080023552.db2.gz HMUNNZCSRRLMHV-UHFFFAOYSA-N -1 1 354.418 2.697 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCCC[C@H](C)C1 ZINC001588437231 1080027148 /nfs/dbraw/zinc/02/71/48/1080027148.db2.gz ANLIOSWITDKLGX-ZDUSSCGKSA-N -1 1 368.445 2.921 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCCC[C@H](C)C1 ZINC001588437231 1080027159 /nfs/dbraw/zinc/02/71/59/1080027159.db2.gz ANLIOSWITDKLGX-ZDUSSCGKSA-N -1 1 368.445 2.921 20 30 FFEDMM C=CCCCC(=O)N[C@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588586386 1080109654 /nfs/dbraw/zinc/10/96/54/1080109654.db2.gz HGTWRKABZGJJEQ-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCCC(=O)N[C@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588586386 1080109662 /nfs/dbraw/zinc/10/96/62/1080109662.db2.gz HGTWRKABZGJJEQ-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCCCCN(C)c1nnc(C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001588593751 1080115588 /nfs/dbraw/zinc/11/55/88/1080115588.db2.gz ILJZWJQYAZMFRZ-UHFFFAOYSA-N -1 1 356.434 2.591 20 30 FFEDMM C=CCCCCCN(C)c1nnc(C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001588593751 1080115590 /nfs/dbraw/zinc/11/55/90/1080115590.db2.gz ILJZWJQYAZMFRZ-UHFFFAOYSA-N -1 1 356.434 2.591 20 30 FFEDMM C=CCOc1ccc(CNC(=O)Nc2snc(C)c2-c2nnn[n-]2)cc1 ZINC001588689996 1080155476 /nfs/dbraw/zinc/15/54/76/1080155476.db2.gz RTXXKRZAJNFBOU-UHFFFAOYSA-N -1 1 371.426 2.518 20 30 FFEDMM C=CCOc1ccc(CNC(=O)Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001588689996 1080155478 /nfs/dbraw/zinc/15/54/78/1080155478.db2.gz RTXXKRZAJNFBOU-UHFFFAOYSA-N -1 1 371.426 2.518 20 30 FFEDMM C=CC[C@@H](C(=O)[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001588727881 1080173617 /nfs/dbraw/zinc/17/36/17/1080173617.db2.gz AEUBNMWVCFNFPR-ZDUSSCGKSA-N -1 1 357.237 2.781 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc3c(c2)OCCO3)o1 ZINC001588781390 1080193231 /nfs/dbraw/zinc/19/32/31/1080193231.db2.gz ZMFQFFLRRUIGMT-UHFFFAOYSA-N -1 1 369.385 2.585 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccnn2C2CCC2)o1 ZINC001588782229 1080194685 /nfs/dbraw/zinc/19/46/85/1080194685.db2.gz QFZCXIAZSASOBJ-UHFFFAOYSA-N -1 1 369.433 2.811 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(O)c(Cl)c2)o1 ZINC001589238285 1080439804 /nfs/dbraw/zinc/43/98/04/1080439804.db2.gz RGDVRWUUKOVYQF-UHFFFAOYSA-N -1 1 361.793 2.957 20 30 FFEDMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001589985849 1080924268 /nfs/dbraw/zinc/92/42/68/1080924268.db2.gz SLRVZVOYMVOHQX-CYBMUJFWSA-N -1 1 368.404 2.790 20 30 FFEDMM N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289864312 257303643 /nfs/dbraw/zinc/30/36/43/257303643.db2.gz GRPDVCTXCHQXKW-SNVBAGLBSA-N -1 1 372.322 2.620 20 30 FFEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(I)c([O-])c1 ZINC000230889204 509440400 /nfs/dbraw/zinc/44/04/00/509440400.db2.gz JPOMJJUPHLJTKU-VIFPVBQESA-N -1 1 358.179 2.619 20 30 FFEDMM N#CC1(NC(=O)c2ccc(I)c([O-])c2)CCCC1 ZINC000230893898 509440554 /nfs/dbraw/zinc/44/05/54/509440554.db2.gz MLCJZDPOIZKPJH-UHFFFAOYSA-N -1 1 356.163 2.563 20 30 FFEDMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000055613042 506796780 /nfs/dbraw/zinc/79/67/80/506796780.db2.gz XUWQKKLRNIULDW-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000055664123 506819692 /nfs/dbraw/zinc/81/96/92/506819692.db2.gz CJNUWHCSNUNLFW-UHFFFAOYSA-N -1 1 356.447 2.892 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc[nH]n3)cc2)c1C ZINC000023141854 507333265 /nfs/dbraw/zinc/33/32/65/507333265.db2.gz GQKVHOOGXVJNJM-UHFFFAOYSA-N -1 1 371.422 2.859 20 30 FFEDMM CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000071845316 507720047 /nfs/dbraw/zinc/72/00/47/507720047.db2.gz UATUAVFYIQMMMB-GFCCVEGCSA-N -1 1 369.347 2.795 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1C(=O)NC(C)C ZINC000108762461 507917143 /nfs/dbraw/zinc/91/71/43/507917143.db2.gz UPPYJVNBULXOHG-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1OC ZINC000076839250 508257466 /nfs/dbraw/zinc/25/74/66/508257466.db2.gz KPWYTCCGDJHOHD-UHFFFAOYSA-N -1 1 350.371 2.824 20 30 FFEDMM CCc1nc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)co1 ZINC000122851971 508596822 /nfs/dbraw/zinc/59/68/22/508596822.db2.gz WURFLSMCSAEPLN-JTQLQIEISA-N -1 1 368.418 2.904 20 30 FFEDMM COc1c(F)ccc(F)c1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000118991597 508701825 /nfs/dbraw/zinc/70/18/25/508701825.db2.gz XHEYHVMAQCIURU-UHFFFAOYSA-N -1 1 369.331 2.737 20 30 FFEDMM N#CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000126422019 509085851 /nfs/dbraw/zinc/08/58/51/509085851.db2.gz HQNXJYMHLWNTGL-UHFFFAOYSA-N -1 1 374.194 2.660 20 30 FFEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc21 ZINC000179027993 509231224 /nfs/dbraw/zinc/23/12/24/509231224.db2.gz KFBHGXCHGDOWGJ-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188797313 509268011 /nfs/dbraw/zinc/26/80/11/509268011.db2.gz ZHQPBASTAJBUJU-QGZVFWFLSA-N -1 1 366.417 2.947 20 30 FFEDMM C[NH+](C)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000186021097 509483826 /nfs/dbraw/zinc/48/38/26/509483826.db2.gz VQYQZEXYFJDLMJ-MRXNPFEDSA-N -1 1 363.870 2.793 20 30 FFEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000186433107 509705800 /nfs/dbraw/zinc/70/58/00/509705800.db2.gz KUQVMRRZFYXJSM-ZETCQYMHSA-N -1 1 353.188 2.698 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000180053557 509727814 /nfs/dbraw/zinc/72/78/14/509727814.db2.gz KRAHNFGKJLNDLT-VIFPVBQESA-N -1 1 368.846 2.932 20 30 FFEDMM N#Cc1ccc(N2CC[C@H](Sc3nc(C4CC4)cc(=O)[n-]3)C2=O)cc1 ZINC000188137581 510613478 /nfs/dbraw/zinc/61/34/78/510613478.db2.gz ZEZKPZPXBCOVLC-HNNXBMFYSA-N -1 1 352.419 2.829 20 30 FFEDMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000178809103 510784270 /nfs/dbraw/zinc/78/42/70/510784270.db2.gz QXATZXFBXGKIIM-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000277572540 510966324 /nfs/dbraw/zinc/96/63/24/510966324.db2.gz QTCSLVLWOUSNSB-HNNXBMFYSA-N -1 1 355.442 2.525 20 30 FFEDMM C#CCC1(C(=O)N2CCC(c3nc(C(=O)OCC)n[n-]3)CC2)CCCCC1 ZINC000365633684 511570937 /nfs/dbraw/zinc/57/09/37/511570937.db2.gz LPFYPXXQCJIHML-UHFFFAOYSA-N -1 1 372.469 2.661 20 30 FFEDMM C=CCC(F)(F)C(=O)[N-][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000293290268 511911466 /nfs/dbraw/zinc/91/14/66/511911466.db2.gz HLNUJGVXXOYHGT-CYBMUJFWSA-N -1 1 350.287 2.734 20 30 FFEDMM Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000281948318 512022381 /nfs/dbraw/zinc/02/23/81/512022381.db2.gz JLISNXYOMFGMLG-UHFFFAOYSA-N -1 1 371.462 2.813 20 30 FFEDMM CC[C@H](CC#N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000372040271 512690315 /nfs/dbraw/zinc/69/03/15/512690315.db2.gz AGEADZFKJVXVFG-QAPCUYQASA-N -1 1 365.433 2.958 20 30 FFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000412810548 513283188 /nfs/dbraw/zinc/28/31/88/513283188.db2.gz AWCNXHOGNYXFLI-KRWDZBQOSA-N -1 1 364.449 2.898 20 30 FFEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C#N)c3)cc2)CC1 ZINC000451115698 513533829 /nfs/dbraw/zinc/53/38/29/513533829.db2.gz OXRROQQPGMEREV-UHFFFAOYSA-N -1 1 370.430 2.872 20 30 FFEDMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435734982 513672817 /nfs/dbraw/zinc/67/28/17/513672817.db2.gz ZQTITGPUDJGXQV-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)ccc1Cl ZINC000431173348 513845683 /nfs/dbraw/zinc/84/56/83/513845683.db2.gz QKMYGVZSRCDSGM-UHFFFAOYSA-N -1 1 368.777 2.642 20 30 FFEDMM CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000426508877 513963475 /nfs/dbraw/zinc/96/34/75/513963475.db2.gz KKOWLNGUVMWCLH-UHFFFAOYSA-N -1 1 357.435 2.863 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)OCC ZINC000451997148 514121742 /nfs/dbraw/zinc/12/17/42/514121742.db2.gz QSBOCXJRNXJWEO-CQSZACIVSA-N -1 1 363.838 2.796 20 30 FFEDMM N#CCCCn1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)c2ccccc21 ZINC000444246926 514166626 /nfs/dbraw/zinc/16/66/26/514166626.db2.gz MQWSOSRXFCNHMH-UHFFFAOYSA-N -1 1 363.425 2.657 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cn1 ZINC000444361297 514208486 /nfs/dbraw/zinc/20/84/86/514208486.db2.gz GCLNKIMRIFVDMZ-UHFFFAOYSA-N -1 1 364.405 2.974 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000432643326 514250905 /nfs/dbraw/zinc/25/09/05/514250905.db2.gz NXQPYMBXPQYXHE-UHFFFAOYSA-N -1 1 355.419 2.885 20 30 FFEDMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475822179 514824090 /nfs/dbraw/zinc/82/40/90/514824090.db2.gz SSMNUVUNNUZMKX-QHCPKHFHSA-N -1 1 362.476 2.740 20 30 FFEDMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1[O-] ZINC000480738404 515064371 /nfs/dbraw/zinc/06/43/71/515064371.db2.gz XLRLRWAXLYBVJN-UHFFFAOYSA-N -1 1 373.434 2.953 20 30 FFEDMM CC(C)(C)N=c1[n-]nc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000463105591 515371716 /nfs/dbraw/zinc/37/17/16/515371716.db2.gz HFALCIBPTKRZGK-KRWDZBQOSA-N -1 1 369.469 2.930 20 30 FFEDMM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000506623236 515935423 /nfs/dbraw/zinc/93/54/23/515935423.db2.gz GMOQCACCVGRODD-AWEZNQCLSA-N -1 1 351.406 2.555 20 30 FFEDMM C=C[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000465149961 516078203 /nfs/dbraw/zinc/07/82/03/516078203.db2.gz ZCFHZPSBZVNRJH-CYBMUJFWSA-N -1 1 362.426 2.860 20 30 FFEDMM C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000555468957 516936890 /nfs/dbraw/zinc/93/68/90/516936890.db2.gz ZQRJJYRTZCNSLF-YFKPBYRVSA-N -1 1 358.044 2.946 20 30 FFEDMM N#CC(=C([O-])c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccncn1 ZINC000544814857 516940839 /nfs/dbraw/zinc/94/08/39/516940839.db2.gz MBHLRAWVRZFUME-MRXNPFEDSA-N -1 1 355.419 2.683 20 30 FFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1ccn(Cc2ccccc2)[nH]1 ZINC000527071837 517487329 /nfs/dbraw/zinc/48/73/29/517487329.db2.gz ZSDUDHYGTSPCNO-LJQANCHMSA-N -1 1 355.401 2.546 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)nc2)o1 ZINC000553481397 517736850 /nfs/dbraw/zinc/73/68/50/517736850.db2.gz OXNOPVWOUBDJLJ-UHFFFAOYSA-N -1 1 355.375 2.817 20 30 FFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000530605336 517877834 /nfs/dbraw/zinc/87/78/34/517877834.db2.gz SVAMYUNKTMLOEX-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM N#CC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000581764271 518442727 /nfs/dbraw/zinc/44/27/27/518442727.db2.gz KAHQGSBLNLZXFJ-UHFFFAOYSA-N -1 1 355.419 2.521 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000570232002 518506649 /nfs/dbraw/zinc/50/66/49/518506649.db2.gz MZAKBKMWZFDCRO-UHFFFAOYSA-N -1 1 367.627 2.824 20 30 FFEDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)cc2[nH]1 ZINC000582034998 518553897 /nfs/dbraw/zinc/55/38/97/518553897.db2.gz CJYLATIQRMQRQF-UHFFFAOYSA-N -1 1 355.423 2.973 20 30 FFEDMM CCn1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000573444097 518667777 /nfs/dbraw/zinc/66/77/77/518667777.db2.gz HWWSMXCENPRDHY-NSHDSACASA-N -1 1 367.434 2.982 20 30 FFEDMM CCC[N@H+](C)[C@@H](CNC(=O)N=c1[nH]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000588258922 518762829 /nfs/dbraw/zinc/76/28/29/518762829.db2.gz OMURKICXCVCPCH-INIZCTEOSA-N -1 1 374.876 2.572 20 30 FFEDMM CCc1nc(S[C@H]2CCN(c3sccc3C#N)C2=O)[n-]c(=O)c1C ZINC000565243465 518860086 /nfs/dbraw/zinc/86/00/86/518860086.db2.gz YQNAXXHZXICSRK-LBPRGKRZSA-N -1 1 360.464 2.884 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000589439048 519004201 /nfs/dbraw/zinc/00/42/01/519004201.db2.gz KNWOYPWXMMSABR-UHFFFAOYSA-N -1 1 374.418 2.773 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(c3nccc4sccc43)CC2)c1 ZINC000589528585 519024780 /nfs/dbraw/zinc/02/47/80/519024780.db2.gz VZQPWLNOXKNOCV-UHFFFAOYSA-N -1 1 364.430 2.836 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000574557899 519215292 /nfs/dbraw/zinc/21/52/92/519215292.db2.gz DQHCFDVWPUTWBW-UHFFFAOYSA-N -1 1 367.627 2.824 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000583578124 519320624 /nfs/dbraw/zinc/32/06/24/519320624.db2.gz COFYFRSJPQXDGZ-UHFFFAOYSA-N -1 1 355.419 2.523 20 30 FFEDMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000569283224 519468757 /nfs/dbraw/zinc/46/87/57/519468757.db2.gz CKDYCLMYPKCSBY-UHFFFAOYSA-N -1 1 357.435 2.645 20 30 FFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000569513757 519588394 /nfs/dbraw/zinc/58/83/94/519588394.db2.gz PPHJVEVELAOEIL-UHFFFAOYSA-N -1 1 367.333 2.537 20 30 FFEDMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)n1 ZINC000594754027 520135953 /nfs/dbraw/zinc/13/59/53/520135953.db2.gz XWBMSQWYHSAZQM-VIFPVBQESA-N -1 1 362.436 2.812 20 30 FFEDMM C=CCC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000594845338 520184939 /nfs/dbraw/zinc/18/49/39/520184939.db2.gz LIFINASDGREHPU-UHFFFAOYSA-N -1 1 360.819 2.652 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610358935 520649314 /nfs/dbraw/zinc/64/93/14/520649314.db2.gz BUMQPZSPZXJWJB-CYBMUJFWSA-N -1 1 373.416 2.844 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c1 ZINC000614375243 520931685 /nfs/dbraw/zinc/93/16/85/520931685.db2.gz OGQFBTWBTRIGOE-UHFFFAOYSA-N -1 1 363.348 2.865 20 30 FFEDMM CO[C@H](C)c1nc(=NC2CCN(Cc3cccc(C#N)c3)CC2)s[n-]1 ZINC000593514498 521042657 /nfs/dbraw/zinc/04/26/57/521042657.db2.gz DDDHIUUUXXBQBV-CYBMUJFWSA-N -1 1 357.483 2.616 20 30 FFEDMM CCCCCn1cc(C[N-]S(=O)(=O)c2ccsc2C#N)c(C)n1 ZINC000593570545 521082927 /nfs/dbraw/zinc/08/29/27/521082927.db2.gz YDQUSFYGIWLJEP-UHFFFAOYSA-N -1 1 352.485 2.793 20 30 FFEDMM COc1cc2[n-]cc(C(=O)N(CCC#N)CCC(C)C)c(=O)c2c(OC)c1 ZINC000599325778 521154616 /nfs/dbraw/zinc/15/46/16/521154616.db2.gz LADOKPVMKNHOFF-UHFFFAOYSA-N -1 1 371.437 2.947 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)cc1[O-] ZINC000619677130 521821256 /nfs/dbraw/zinc/82/12/56/521821256.db2.gz OYKQJCBDSTWWHQ-KRWDZBQOSA-N -1 1 361.401 2.829 20 30 FFEDMM C=CCCOCC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000620205960 522119454 /nfs/dbraw/zinc/11/94/54/522119454.db2.gz OPYQBHWLHNUAQE-UHFFFAOYSA-N -1 1 356.245 2.854 20 30 FFEDMM C=CCCCCCN(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000735408878 598838137 /nfs/dbraw/zinc/83/81/37/598838137.db2.gz UDYIIIGJYXYCOA-UHFFFAOYSA-N -1 1 372.473 2.722 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817733673 597071528 /nfs/dbraw/zinc/07/15/28/597071528.db2.gz QOOXRNLGHSNJIM-HUUCEWRRSA-N -1 1 361.417 2.648 20 30 FFEDMM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818631401 597082080 /nfs/dbraw/zinc/08/20/80/597082080.db2.gz SLDUAWLIIGOPMH-HZPDHXFCSA-N -1 1 373.453 2.517 20 30 FFEDMM N#Cc1ccccc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000737727489 598721115 /nfs/dbraw/zinc/72/11/15/598721115.db2.gz OJNMKYOFNCOORN-UHFFFAOYSA-N -1 1 362.780 2.755 20 30 FFEDMM C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000730996098 599838359 /nfs/dbraw/zinc/83/83/59/599838359.db2.gz MSDIITFOSUEEMM-UHFFFAOYSA-N -1 1 365.794 2.851 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736199678 600292323 /nfs/dbraw/zinc/29/23/23/600292323.db2.gz LEHRSFMASHIENW-YOEHRIQHSA-N -1 1 373.428 2.648 20 30 FFEDMM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1cccc(C(F)(F)F)n1 ZINC000738922847 600516529 /nfs/dbraw/zinc/51/65/29/600516529.db2.gz MXHUSMGEIYHALD-UHFFFAOYSA-N -1 1 355.320 2.834 20 30 FFEDMM COc1cc2c(cc1OC)CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC000737907054 600561366 /nfs/dbraw/zinc/56/13/66/600561366.db2.gz NABTWWXYAASWPK-IBGZPJMESA-N -1 1 352.390 2.759 20 30 FFEDMM C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000827716820 600762201 /nfs/dbraw/zinc/76/22/01/600762201.db2.gz BGNJDUNFJVLYFU-KBPBESRZSA-N -1 1 351.406 2.612 20 30 FFEDMM C#CCNC(=O)C1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000825620151 600992569 /nfs/dbraw/zinc/99/25/69/600992569.db2.gz XPJDEYLAMNZHLO-HNNXBMFYSA-N -1 1 369.248 2.581 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000825966657 601036527 /nfs/dbraw/zinc/03/65/27/601036527.db2.gz JBZXTESOQFVAOO-SGTLLEGYSA-N -1 1 361.467 2.720 20 30 FFEDMM COc1ccccc1CN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832614322 601314175 /nfs/dbraw/zinc/31/41/75/601314175.db2.gz ZMOPSTWPXWKYBP-HXUWFJFHSA-N -1 1 365.433 2.510 20 30 FFEDMM CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000829808994 601788431 /nfs/dbraw/zinc/78/84/31/601788431.db2.gz NMJPDXZXSMZZSV-UHFFFAOYSA-N -1 1 351.409 2.551 20 30 FFEDMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000828493755 601961110 /nfs/dbraw/zinc/96/11/10/601961110.db2.gz JPHITBBYYBTPDH-QRWLVFNGSA-N -1 1 365.433 2.501 20 30 FFEDMM CN1CCC(C#N)(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000830917860 602003927 /nfs/dbraw/zinc/00/39/27/602003927.db2.gz IIKJRESXUIIWJK-UHFFFAOYSA-N -1 1 370.331 2.513 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833788128 605557666 /nfs/dbraw/zinc/55/76/66/605557666.db2.gz NVKPYEQBZIIBIN-QLFBSQMISA-N -1 1 365.499 2.629 20 30 FFEDMM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000833965377 605655032 /nfs/dbraw/zinc/65/50/32/605655032.db2.gz ABZTWRULWQFNFC-JTQLQIEISA-N -1 1 359.769 2.527 20 30 FFEDMM Cc1cc(C)n(N=C[C@@H](C)CCc2ccccc2)c(=O)c1-c1nn[n-]n1 ZINC000822199058 606434971 /nfs/dbraw/zinc/43/49/71/606434971.db2.gz USXHBUPPNCQOJB-ZDUSSCGKSA-N -1 1 350.426 2.748 20 30 FFEDMM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821127112 606598747 /nfs/dbraw/zinc/59/87/47/606598747.db2.gz BNXWXMHYRJQVLA-UHFFFAOYSA-N -1 1 353.411 2.874 20 30 FFEDMM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821127112 606598748 /nfs/dbraw/zinc/59/87/48/606598748.db2.gz BNXWXMHYRJQVLA-UHFFFAOYSA-N -1 1 353.411 2.874 20 30 FFEDMM CN1CCc2cc(CN=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)ccc21 ZINC000826045498 607783105 /nfs/dbraw/zinc/78/31/05/607783105.db2.gz XDQMOWGRWJUHKK-UHFFFAOYSA-N -1 1 366.429 2.591 20 30 FFEDMM CC(=NNC(=S)Nc1ccccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823953755 608091807 /nfs/dbraw/zinc/09/18/07/608091807.db2.gz ONAQZYBNGQHVGZ-UHFFFAOYSA-N -1 1 361.431 2.778 20 30 FFEDMM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000823961996 608094692 /nfs/dbraw/zinc/09/46/92/608094692.db2.gz CPNIRWZKIFRWOA-UHFFFAOYSA-N -1 1 356.415 2.822 20 30 FFEDMM C=CCNc1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)s1 ZINC000823925966 608169823 /nfs/dbraw/zinc/16/98/23/608169823.db2.gz SSTKKGDKRYXGQD-UHFFFAOYSA-N -1 1 358.865 2.577 20 30 FFEDMM C=CCNc1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)s1 ZINC000823925966 608169825 /nfs/dbraw/zinc/16/98/25/608169825.db2.gz SSTKKGDKRYXGQD-UHFFFAOYSA-N -1 1 358.865 2.577 20 30 FFEDMM C#CCSCCNC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000156122332 728842968 /nfs/dbraw/zinc/84/29/68/728842968.db2.gz SAMUBVBTUSYBQL-UHFFFAOYSA-N -1 1 366.899 2.744 20 30 FFEDMM C[C@H]1CC(=NNc2nc3[nH][n-]cc-3c(=O)n2)c2cccc(Br)c21 ZINC000743441188 735297764 /nfs/dbraw/zinc/29/77/64/735297764.db2.gz DLRXROQQOBRCLQ-ZETCQYMHSA-N -1 1 373.214 2.518 20 30 FFEDMM C#Cc1cccc(NC(=O)CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000744326542 735349169 /nfs/dbraw/zinc/34/91/69/735349169.db2.gz PBFXEWUDWQCJAC-UHFFFAOYSA-N -1 1 373.206 2.505 20 30 FFEDMM CCCCOCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000118598958 728583422 /nfs/dbraw/zinc/58/34/22/728583422.db2.gz RAYQCJNNEYNIGH-GFCCVEGCSA-N -1 1 359.451 2.856 20 30 FFEDMM N#CCOc1ccc(CC(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000121555542 728630608 /nfs/dbraw/zinc/63/06/08/728630608.db2.gz GICNFKNJBVYSLD-UHFFFAOYSA-N -1 1 362.183 2.633 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=S)Nc2ccccc2C#N)[n-]c1=O ZINC000899667160 735541147 /nfs/dbraw/zinc/54/11/47/735541147.db2.gz NXNXBLQHRALQKQ-ZDUSSCGKSA-N -1 1 355.423 2.596 20 30 FFEDMM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000130500617 728718646 /nfs/dbraw/zinc/71/86/46/728718646.db2.gz MENFLFHUCHMMGC-IINYFYTJSA-N -1 1 357.819 2.999 20 30 FFEDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000132375506 728724354 /nfs/dbraw/zinc/72/43/54/728724354.db2.gz SKJUMKATOKVXGX-UHFFFAOYSA-N -1 1 353.306 2.854 20 30 FFEDMM C=CCn1c(-c2sc(NC(=O)c3c[nH]nc3C)nc2C)n[n-]c1=S ZINC000171827234 729014117 /nfs/dbraw/zinc/01/41/17/729014117.db2.gz IZMQWRDWNYJNQG-UHFFFAOYSA-N -1 1 361.456 2.842 20 30 FFEDMM CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc21 ZINC000178197854 729156634 /nfs/dbraw/zinc/15/66/34/729156634.db2.gz WTYJMTQYBVIJQF-UHFFFAOYSA-N -1 1 363.826 2.841 20 30 FFEDMM CCC[C@H](C#N)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903094563 736029596 /nfs/dbraw/zinc/02/95/96/736029596.db2.gz FEHRSIALKYICFZ-MRVPVSSYSA-N -1 1 365.224 2.567 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000185288660 729346039 /nfs/dbraw/zinc/34/60/39/729346039.db2.gz IJMVKSSVCKNABC-NSHDSACASA-N -1 1 364.373 2.517 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000779846100 738489003 /nfs/dbraw/zinc/48/90/03/738489003.db2.gz VTFCGKPLYPJJJU-SNVBAGLBSA-N -1 1 364.354 2.616 20 30 FFEDMM C#CCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000779878967 738492568 /nfs/dbraw/zinc/49/25/68/738492568.db2.gz HHSOQLNZRMFXPX-UHFFFAOYSA-N -1 1 364.467 2.699 20 30 FFEDMM CN(C(=O)c1ccc(I)cc1[O-])[C@H]1CCC[C@H]1C#N ZINC000870675682 731543312 /nfs/dbraw/zinc/54/33/12/731543312.db2.gz HPWBKBMTGDPKIH-CABZTGNLSA-N -1 1 370.190 2.761 20 30 FFEDMM O=C(Nc1cc(F)c(F)c(F)c1F)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000871268447 731613952 /nfs/dbraw/zinc/61/39/52/731613952.db2.gz MBQGGFDZMRAVLB-FBCQKBJTSA-N -1 1 358.213 2.639 20 30 FFEDMM O=C1Nc2cc(Br)ccc2C1=N[N-]c1ncncc1Cl ZINC000780282478 738530779 /nfs/dbraw/zinc/53/07/79/738530779.db2.gz JRXJFJZBSUBKDA-UHFFFAOYSA-N -1 1 352.579 2.661 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC2(C#N)CCCC2)o1 ZINC000780533932 738553691 /nfs/dbraw/zinc/55/36/91/738553691.db2.gz JVJHWXQIZOQYOD-UHFFFAOYSA-N -1 1 354.428 2.597 20 30 FFEDMM C=CCCOCC[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882019867 733156772 /nfs/dbraw/zinc/15/67/72/733156772.db2.gz SOPGHJCIZHBNEK-UHFFFAOYSA-N -1 1 358.769 2.625 20 30 FFEDMM CC(C)(C#N)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000782102032 738688919 /nfs/dbraw/zinc/68/89/19/738688919.db2.gz VEJHWFWHSHURAJ-UHFFFAOYSA-N -1 1 359.304 2.783 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Cl)c1OC ZINC000730434739 734636789 /nfs/dbraw/zinc/63/67/89/734636789.db2.gz RUYKDYHWBYCGOX-SDQPKGBYSA-N -1 1 350.754 2.585 20 30 FFEDMM COC(=O)c1ccc([O-])c(C=NNc2ccc(Br)nc2)c1 ZINC000732712781 734758860 /nfs/dbraw/zinc/75/88/60/734758860.db2.gz HITMNCGWHPGIKB-UHFFFAOYSA-N -1 1 350.172 2.782 20 30 FFEDMM C=C(Cl)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000736246713 734979249 /nfs/dbraw/zinc/97/92/49/734979249.db2.gz HVHAKDANGDVXHW-UHFFFAOYSA-N -1 1 350.827 2.970 20 30 FFEDMM O=S(=O)([N-]c1nccs1)c1ccc(NN=C2CCn3cccc32)cc1 ZINC000748085535 735616345 /nfs/dbraw/zinc/61/63/45/735616345.db2.gz HBDLLBLHQCEVIG-UHFFFAOYSA-N -1 1 373.463 2.965 20 30 FFEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000750310767 735781780 /nfs/dbraw/zinc/78/17/80/735781780.db2.gz DOVHWSYKRSFLCO-LLVKDONJSA-N -1 1 359.407 2.684 20 30 FFEDMM COc1ccc(CC2N=NC(=S)N2N=Cc2cccc(F)c2[O-])cc1 ZINC000755605792 736264694 /nfs/dbraw/zinc/26/46/94/736264694.db2.gz ABODDQQACLIWFO-UHFFFAOYSA-N -1 1 358.398 2.893 20 30 FFEDMM COc1cc(OC)nc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)n1 ZINC000906621564 736525474 /nfs/dbraw/zinc/52/54/74/736525474.db2.gz DWHJLOXTVWQKNQ-LLVKDONJSA-N -1 1 358.423 2.998 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)ccc1C#N ZINC000766548230 737240665 /nfs/dbraw/zinc/24/06/65/737240665.db2.gz PSNFHADWDCMHFN-UHFFFAOYSA-N -1 1 355.419 2.794 20 30 FFEDMM [O-]c1ccc(C=NNC(=S)Nc2cccnc2)cc1Br ZINC000916298025 737694324 /nfs/dbraw/zinc/69/43/24/737694324.db2.gz BXXZHNDONFJOOR-UHFFFAOYSA-N -1 1 351.229 2.870 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)cc1OC ZINC000774057005 737957523 /nfs/dbraw/zinc/95/75/23/737957523.db2.gz ZNZBEOCPFNAWPP-LBPRGKRZSA-N -1 1 359.407 2.738 20 30 FFEDMM C#CCN1CCC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000921437872 737983248 /nfs/dbraw/zinc/98/32/48/737983248.db2.gz JCLQGWAWESEJPA-UHFFFAOYSA-N -1 1 365.257 2.508 20 30 FFEDMM Cn1ncc2c1ncn(N=Cc1cc(Cl)c3ccccc3c1[O-])c2=O ZINC000774588545 738004007 /nfs/dbraw/zinc/00/40/07/738004007.db2.gz DYCSLHHKDUANED-UHFFFAOYSA-N -1 1 353.769 2.524 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000775298331 738081836 /nfs/dbraw/zinc/08/18/36/738081836.db2.gz QIAHYFURXCDLHV-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OCC#N)c2)cc1 ZINC000785487011 738968896 /nfs/dbraw/zinc/96/88/96/738968896.db2.gz SSCFIUYEESEFOV-UHFFFAOYSA-N -1 1 360.391 2.566 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1F ZINC000793352890 739771405 /nfs/dbraw/zinc/77/14/05/739771405.db2.gz LMPNYBNEBXBQGW-UHFFFAOYSA-N -1 1 359.382 2.625 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793383376 739775585 /nfs/dbraw/zinc/77/55/85/739775585.db2.gz BTPQVKUMTPRSHQ-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1C#N ZINC000793399969 739777748 /nfs/dbraw/zinc/77/77/48/739777748.db2.gz FJKFVYHOCKXJHB-UHFFFAOYSA-N -1 1 374.491 2.616 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000797842119 740279638 /nfs/dbraw/zinc/27/96/38/740279638.db2.gz VQLAVAVKDZASDK-YGRLFVJLSA-N -1 1 360.819 2.508 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Nc2c(Cl)cc(F)cc2Cl)o1 ZINC000808101970 741186552 /nfs/dbraw/zinc/18/65/52/741186552.db2.gz XPXYVVMKEIVFHL-UHFFFAOYSA-N -1 1 350.158 2.903 20 30 FFEDMM CCCCCCCS(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810088042 741384452 /nfs/dbraw/zinc/38/44/52/741384452.db2.gz FEQYJTLURVTSJU-CYBMUJFWSA-N -1 1 372.453 2.677 20 30 FFEDMM CCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000815907359 741972008 /nfs/dbraw/zinc/97/20/08/741972008.db2.gz YXFVVHVOPKJVAH-NSHDSACASA-N -1 1 365.365 2.574 20 30 FFEDMM CC(C)(C#N)CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817490594 742154005 /nfs/dbraw/zinc/15/40/05/742154005.db2.gz RUNJZWZKEAMJBL-GFCCVEGCSA-N -1 1 353.344 2.563 20 30 FFEDMM C=CCN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000843789370 747895625 /nfs/dbraw/zinc/89/56/25/747895625.db2.gz XHGUXQXVNAEGFF-UHFFFAOYSA-N -1 1 365.282 2.695 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CCOCC1 ZINC000851829774 749692299 /nfs/dbraw/zinc/69/22/99/749692299.db2.gz KSXYGCOZVGINMT-SECBINFHSA-N -1 1 354.280 2.762 20 30 FFEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cnn2c1CCC2 ZINC000853280818 750042788 /nfs/dbraw/zinc/04/27/88/750042788.db2.gz PSJBWUGXYOLAQG-UHFFFAOYSA-N -1 1 356.480 2.884 20 30 FFEDMM CC#CCN(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001573358144 947658105 /nfs/dbraw/zinc/65/81/05/947658105.db2.gz GPHRDOUHNVGZQF-UHFFFAOYSA-N -1 1 366.450 2.760 20 30 FFEDMM N#CCc1ccc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594611281 956212649 /nfs/dbraw/zinc/21/26/49/956212649.db2.gz LKWHSFHUMQLQOD-KRWDZBQOSA-N -1 1 353.422 2.936 20 30 FFEDMM CC(=O)N1CC=C(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)CC1 ZINC001176029549 1013614014 /nfs/dbraw/zinc/61/40/14/1013614014.db2.gz XYTCDKWTNUHWGF-YBFXNURJSA-N -1 1 369.450 2.770 20 30 FFEDMM C=C1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])CC1 ZINC000983739707 965959666 /nfs/dbraw/zinc/95/96/66/965959666.db2.gz BEFQDHPBCNZOAN-WBVHZDCISA-N -1 1 371.481 2.891 20 30 FFEDMM C=CCN1CC[C@]2(CCN(C(=O)c3cc4ccccc4cc3[O-])C2)C1=O ZINC001270865139 967357762 /nfs/dbraw/zinc/35/77/62/967357762.db2.gz DCEQXDDOCRNZSJ-OAQYLSRUSA-N -1 1 350.418 2.796 20 30 FFEDMM C=C(C)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001087425013 975335051 /nfs/dbraw/zinc/33/50/51/975335051.db2.gz ASYJUCXFZIHXDA-IAGOWNOFSA-N -1 1 354.454 2.588 20 30 FFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001211720261 977432936 /nfs/dbraw/zinc/43/29/36/977432936.db2.gz YZUNAAFQXWUWAV-QMMMGPOBSA-N -1 1 352.200 2.808 20 30 FFEDMM C=CCN1CC[C@]2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])C1=O ZINC001271998038 979432249 /nfs/dbraw/zinc/43/22/49/979432249.db2.gz RCJWXOVQWDXREV-QGZVFWFLSA-N -1 1 368.355 2.804 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908914055 981566529 /nfs/dbraw/zinc/56/65/29/981566529.db2.gz UKWSDPJXQKJCQJ-MAUKXSAKSA-N -1 1 359.470 2.542 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908914055 981566531 /nfs/dbraw/zinc/56/65/31/981566531.db2.gz UKWSDPJXQKJCQJ-MAUKXSAKSA-N -1 1 359.470 2.542 20 30 FFEDMM CC(=NN1CCOCC1)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000916581113 989832543 /nfs/dbraw/zinc/83/25/43/989832543.db2.gz IVDLVPLSWBLOQS-UHFFFAOYSA-N -1 1 373.478 2.852 20 30 FFEDMM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)n1 ZINC001212265319 991221056 /nfs/dbraw/zinc/22/10/56/991221056.db2.gz YNISQQHEIDORMD-VIFPVBQESA-N -1 1 366.424 2.525 20 30 FFEDMM CCCCCCN(CCN1CCOCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000809626015 994560308 /nfs/dbraw/zinc/56/03/08/994560308.db2.gz WALBAQIGIIHEOL-UHFFFAOYSA-N -1 1 359.470 2.619 20 30 FFEDMM N#CCn1c(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)cc2ccccc21 ZINC001136819335 996785817 /nfs/dbraw/zinc/78/58/17/996785817.db2.gz DXKALHYQQWGVTQ-UHFFFAOYSA-N -1 1 373.376 2.509 20 30 FFEDMM C=CC[C@H](C)C(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001144014438 997933554 /nfs/dbraw/zinc/93/35/54/997933554.db2.gz VYCFOHWXVHNPAB-QMMMGPOBSA-N -1 1 367.768 2.953 20 30 FFEDMM COc1cc(C#N)ccc1OCCN1CCc2cc(C(=O)[O-])ccc2C1 ZINC001599350547 998086253 /nfs/dbraw/zinc/08/62/53/998086253.db2.gz YEIRGWOOHVGPJK-UHFFFAOYSA-N -1 1 352.390 2.702 20 30 FFEDMM CCN(CC)c1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000739412372 999643652 /nfs/dbraw/zinc/64/36/52/999643652.db2.gz ZSQYBXJTSQSWND-UHFFFAOYSA-N -1 1 374.441 2.745 20 30 FFEDMM C#CCOc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000745213200 999900200 /nfs/dbraw/zinc/90/02/00/999900200.db2.gz NGPJDUFJCZOVHF-UHFFFAOYSA-N -1 1 350.326 2.868 20 30 FFEDMM Cc1ncc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)[nH]1 ZINC001146863409 1000775033 /nfs/dbraw/zinc/77/50/33/1000775033.db2.gz UOGHUYLDJORFRO-CNHKJKLMSA-N -1 1 354.395 2.505 20 30 FFEDMM Cc1noc([N-]C(=O)c2csc(-n3ncc4ccccc43)n2)c1C#N ZINC001148064250 1001026285 /nfs/dbraw/zinc/02/62/85/1001026285.db2.gz BSFSDKAFRFEASX-UHFFFAOYSA-N -1 1 350.363 2.902 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)OC ZINC001184528700 1002636963 /nfs/dbraw/zinc/63/69/63/1002636963.db2.gz ILNNYHGMPWYCRD-GFCCVEGCSA-N -1 1 352.239 2.531 20 30 FFEDMM C=CCOc1ccc(/C=C\C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1OC ZINC000791287728 1002649534 /nfs/dbraw/zinc/64/95/34/1002649534.db2.gz WORVHRZPSRXXKL-JVVMTPIXSA-N -1 1 364.405 2.567 20 30 FFEDMM N#Cc1cnc2nc(Cl)ccc2c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316841 1003106367 /nfs/dbraw/zinc/10/63/67/1003106367.db2.gz QRWOUOURDVFWOV-UHFFFAOYSA-N -1 1 354.753 2.861 20 30 FFEDMM C=CCc1ccnc(NCC(=O)c2ccc([O-])c(O)c2)c1C(OC)OC ZINC001170317076 1003106674 /nfs/dbraw/zinc/10/66/74/1003106674.db2.gz XUEYDLWYPBLFSB-UHFFFAOYSA-N -1 1 358.394 2.808 20 30 FFEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186743576 1003405854 /nfs/dbraw/zinc/40/58/54/1003405854.db2.gz OCZDXYGVIJRTLE-SSDOTTSWSA-N -1 1 353.188 2.698 20 30 FFEDMM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309556 1003731300 /nfs/dbraw/zinc/73/13/00/1003731300.db2.gz YXSCLPBBLCXQRE-WMZOPIPTSA-N -1 1 368.364 2.656 20 30 FFEDMM N#C[C@H]([N-]S(=O)(=O)c1cccc(Br)n1)c1ccc(F)cc1 ZINC001196326881 1003743205 /nfs/dbraw/zinc/74/32/05/1003743205.db2.gz KCKNHAVSWJSCEE-NSHDSACASA-N -1 1 370.203 2.526 20 30 FFEDMM N#Cc1cccc(-c2cc(O)cc(C(=O)NCCCC[P@](=O)([O-])O)c2)c1 ZINC001196330469 1003743915 /nfs/dbraw/zinc/74/39/15/1003743915.db2.gz RMWBNTJJLRLDMH-UHFFFAOYSA-N -1 1 374.333 2.619 20 30 FFEDMM CC(C)(C)OC(=O)NCc1ccnc(C(=O)Nc2ccc(C#N)cc2[O-])c1 ZINC001196916107 1003998968 /nfs/dbraw/zinc/99/89/68/1003998968.db2.gz NSPGHOWVCKYYQN-UHFFFAOYSA-N -1 1 368.393 2.936 20 30 FFEDMM CCN(Cc1cccc([N-]S(=O)(=O)CC#N)c1)C(=O)OC(C)(C)C ZINC001192982225 1004332811 /nfs/dbraw/zinc/33/28/11/1004332811.db2.gz KMYOCTLNRVPABN-UHFFFAOYSA-N -1 1 353.444 2.709 20 30 FFEDMM Cc1c(I)cc(Cl)cc1[N-]S(=O)(=O)CC#N ZINC001192980650 1004347317 /nfs/dbraw/zinc/34/73/17/1004347317.db2.gz OUPFVYANOBWAIS-UHFFFAOYSA-N -1 1 370.599 2.518 20 30 FFEDMM N#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1O ZINC001193284548 1004437774 /nfs/dbraw/zinc/43/77/74/1004437774.db2.gz UZEOZHDTSKIUBN-UHFFFAOYSA-N -1 1 373.434 2.617 20 30 FFEDMM O=C1c2ccccc2C([N-]S(=O)(=O)C[C@@H]2CCCO2)=C1c1ccccc1 ZINC001193291488 1004441728 /nfs/dbraw/zinc/44/17/28/1004441728.db2.gz XRRHTXKMVILWRL-HNNXBMFYSA-N -1 1 369.442 2.850 20 30 FFEDMM N#Cc1cccc(C(F)(F)F)c1NC(=O)c1cccc(OCCO)c1[O-] ZINC001193344854 1004457683 /nfs/dbraw/zinc/45/76/83/1004457683.db2.gz RPIGYMNEERVKFN-UHFFFAOYSA-N -1 1 366.295 2.906 20 30 FFEDMM C#CC1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCC1 ZINC001194066930 1004645450 /nfs/dbraw/zinc/64/54/50/1004645450.db2.gz RMIXLIDSXRMCPF-UHFFFAOYSA-N -1 1 371.231 2.684 20 30 FFEDMM CN1CCN(c2ccc(C(=O)Nc3ccc(C#N)cc3[O-])cc2Cl)CC1 ZINC001194692666 1004793610 /nfs/dbraw/zinc/79/36/10/1004793610.db2.gz KLDKQQIKOIUJSS-UHFFFAOYSA-N -1 1 370.840 2.921 20 30 FFEDMM COc1ncccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Br ZINC001194720935 1004803485 /nfs/dbraw/zinc/80/34/85/1004803485.db2.gz ZTYLXOFRGITIBW-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C2CC2)C3=O)cc1C#N ZINC001201323998 1005199880 /nfs/dbraw/zinc/19/98/80/1005199880.db2.gz ULDTXDOYWOELTH-UHFFFAOYSA-N -1 1 367.430 2.786 20 30 FFEDMM CCCCCCCCCCCCS(=O)(=O)[N-][C@H](C(=O)OC)[C@@H](C)O ZINC001187723847 1006216798 /nfs/dbraw/zinc/21/67/98/1006216798.db2.gz BGMSOJVNXVWHBC-CVEARBPZSA-N -1 1 365.536 2.749 20 30 FFEDMM N#Cc1ncc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC001188282453 1006501915 /nfs/dbraw/zinc/50/19/15/1006501915.db2.gz OZJIOYDGCCEHRI-UHFFFAOYSA-N -1 1 372.189 2.759 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001116153462 1032157950 /nfs/dbraw/zinc/15/79/50/1032157950.db2.gz IVQCKGZYGBEWNY-OXQOHEQNSA-N -1 1 366.442 2.546 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)CCCC1 ZINC001189053015 1006873545 /nfs/dbraw/zinc/87/35/45/1006873545.db2.gz OYIANTJJZKPXPD-UHFFFAOYSA-N -1 1 365.199 2.842 20 30 FFEDMM Cn1ncc2c1[n-]c(NN=C1C[C@@H](OCc3ccccc3)C1(C)C)nc2=O ZINC000776769130 1007059401 /nfs/dbraw/zinc/05/94/01/1007059401.db2.gz BORKUYGGDPGFBQ-OAHLLOKOSA-N -1 1 366.425 2.852 20 30 FFEDMM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1F)[C@@H](C)CC ZINC001189472082 1007089168 /nfs/dbraw/zinc/08/91/68/1007089168.db2.gz MPAHJFBIDYLFHV-NHYWBVRUSA-N -1 1 361.410 2.528 20 30 FFEDMM C=CCCO[C@H](C)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817492188 1007619697 /nfs/dbraw/zinc/61/96/97/1007619697.db2.gz HVWFKSQORRFIGR-OCCSQVGLSA-N -1 1 370.371 2.604 20 30 FFEDMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(F)c1 ZINC001190608638 1007719216 /nfs/dbraw/zinc/71/92/16/1007719216.db2.gz XGCSYGZZSRUROI-UHFFFAOYSA-N -1 1 366.345 2.814 20 30 FFEDMM COC(=O)c1cc(CN=Nc2ccc(C(=O)[O-])cc2OC)n2c1CCCC2 ZINC000857211566 1008093800 /nfs/dbraw/zinc/09/38/00/1008093800.db2.gz JINSFHCLCMAMJB-UHFFFAOYSA-N -1 1 371.393 2.764 20 30 FFEDMM C[C@]1(C(=O)N([O-])C(=N)c2ccccc2N)CC(c2ccc(F)cc2)=NO1 ZINC001180457366 1009702120 /nfs/dbraw/zinc/70/21/20/1009702120.db2.gz XLFQXJPTYZQCKP-GOSISDBHSA-N -1 1 356.357 2.534 20 30 FFEDMM C[C@]1(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)CCCO1 ZINC001180470145 1009708107 /nfs/dbraw/zinc/70/81/07/1009708107.db2.gz OBHXSSHOGDSZAK-HJSBDDGSSA-N -1 1 358.423 2.729 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC001181084232 1009961156 /nfs/dbraw/zinc/96/11/56/1009961156.db2.gz HVOZTMRBSAJOEB-RLKKFEHKSA-N -1 1 372.450 2.711 20 30 FFEDMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CN1C(=O)OC(C)(C)C ZINC000863025439 1010079603 /nfs/dbraw/zinc/07/96/03/1010079603.db2.gz NLQGIPNKJHXIBW-IUODEOHRSA-N -1 1 359.426 2.782 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)C1CC2(COC2)C1 ZINC001181610338 1010180162 /nfs/dbraw/zinc/18/01/62/1010180162.db2.gz AEHVZGZADBUISX-UFWORHAWSA-N -1 1 370.434 2.587 20 30 FFEDMM C=C(C)CN1CCC2(CCN(C(=O)c3cc([O-])cc(F)c3F)CC2)C1=O ZINC001274861199 1011707605 /nfs/dbraw/zinc/70/76/05/1011707605.db2.gz OPHZTSDDBXTFTP-UHFFFAOYSA-N -1 1 364.392 2.701 20 30 FFEDMM C=CCn1c(C2CCCC2)nnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871057020 1012702092 /nfs/dbraw/zinc/70/20/92/1012702092.db2.gz PRRRBLJZJXLHJW-INIZCTEOSA-N -1 1 371.407 2.769 20 30 FFEDMM Cc1nsc(NCC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)c1C#N ZINC001053354264 1018263110 /nfs/dbraw/zinc/26/31/10/1018263110.db2.gz BERCDLYCJVYRIL-DGCLKSJQSA-N -1 1 371.466 2.634 20 30 FFEDMM N#C[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000928230195 1018901827 /nfs/dbraw/zinc/90/18/27/1018901827.db2.gz FVVZKVGLAIILPW-OAHLLOKOSA-N -1 1 369.446 2.863 20 30 FFEDMM N#Cc1ccc(-c2nnc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)o2)cc1 ZINC000780073099 1019505652 /nfs/dbraw/zinc/50/56/52/1019505652.db2.gz YIRBMOXOICXPOO-UHFFFAOYSA-N -1 1 366.289 2.579 20 30 FFEDMM N#C[C@H](C(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000780303153 1022447633 /nfs/dbraw/zinc/44/76/33/1022447633.db2.gz SXANQWCQBVKPSR-RLSLPTNOSA-N -1 1 369.446 2.877 20 30 FFEDMM COCCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC(C#N)CC1 ZINC001122328040 1023192499 /nfs/dbraw/zinc/19/24/99/1023192499.db2.gz BOXISYKZIKFUBY-UHFFFAOYSA-N -1 1 361.833 2.690 20 30 FFEDMM O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(O)c(O[C@H]2C[C@@H](O)C2)c1 ZINC001218424070 1033148274 /nfs/dbraw/zinc/14/82/74/1033148274.db2.gz TVZDIDLCJGYHPC-YEKRNXETSA-N -1 1 354.358 2.659 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1c1cccc(C)c1C ZINC001121520363 1023823141 /nfs/dbraw/zinc/82/31/41/1023823141.db2.gz CLTLVJIIBWVLSS-MRXNPFEDSA-N -1 1 364.457 2.526 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1c1cccc(C)c1C ZINC001121520363 1023823151 /nfs/dbraw/zinc/82/31/51/1023823151.db2.gz CLTLVJIIBWVLSS-MRXNPFEDSA-N -1 1 364.457 2.526 20 30 FFEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C3CC3)[nH]n2)C1=O ZINC000192773505 1024270221 /nfs/dbraw/zinc/27/02/21/1024270221.db2.gz FDTPHCWSIGMSIY-SFHVURJKSA-N -1 1 361.446 2.603 20 30 FFEDMM COc1ccc(CC(C)=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)cn1 ZINC000841627306 1030377242 /nfs/dbraw/zinc/37/72/42/1030377242.db2.gz ZQCGWDPIRZUTLT-UHFFFAOYSA-N -1 1 369.429 2.721 20 30 FFEDMM COCCN(C)c1ccc(/C=C\C(=O)c2cc(OC)c([O-])c(OC)c2)cn1 ZINC000843270980 1031278125 /nfs/dbraw/zinc/27/81/25/1031278125.db2.gz NYEIOECNBAWODX-ALCCZGGFSA-N -1 1 372.421 2.783 20 30 FFEDMM CN1CCN(c2cccc(-c3noc(CCC(=O)C4=CC=C[CH]4)n3)c2)CC1 ZINC001204645098 1031399293 /nfs/dbraw/zinc/39/92/93/1031399293.db2.gz YRKJWBIDGZEPQD-UHFFFAOYSA-N -1 1 363.441 2.691 20 30 FFEDMM COC(=O)c1ncc2n1CCC[C@@H]2O/C(=N\[O-])c1cc(F)ccc1F ZINC001223891194 1033628385 /nfs/dbraw/zinc/62/83/85/1033628385.db2.gz FFELJFIVRCCYSI-NSPLTWOJSA-N -1 1 351.309 2.635 20 30 FFEDMM [O-]/N=C(\O[C@@H]1COCc2cc(Br)cnc21)c1ccccn1 ZINC001223975478 1033664747 /nfs/dbraw/zinc/66/47/47/1033664747.db2.gz ASDDJXKQDKISCY-QJGCXADHSA-N -1 1 350.172 2.663 20 30 FFEDMM COc1ccc(CC(=O)c2ccc([O-])cc2OC2CN(CCC#N)C2)cc1 ZINC001226544169 1034727023 /nfs/dbraw/zinc/72/70/23/1034727023.db2.gz HFWMOUNJNMXDBA-UHFFFAOYSA-N -1 1 366.417 2.803 20 30 FFEDMM N#CC[C@H](Oc1[n-]c(=O)ncc1I)c1ccccc1 ZINC001226771419 1034829125 /nfs/dbraw/zinc/82/91/25/1034829125.db2.gz WMUYXIPVJFQDTA-NSHDSACASA-N -1 1 367.146 2.821 20 30 FFEDMM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc(C)c1Br ZINC001226781674 1034836456 /nfs/dbraw/zinc/83/64/56/1034836456.db2.gz LCLURMMSJNQRFB-SECBINFHSA-N -1 1 359.220 2.918 20 30 FFEDMM C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001277167557 1034888708 /nfs/dbraw/zinc/88/87/08/1034888708.db2.gz AKYLWPZQCLPECB-HXUWFJFHSA-N -1 1 358.438 2.536 20 30 FFEDMM C=C1O[C@H](C)C(=O)C1Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227307177 1035501242 /nfs/dbraw/zinc/50/12/42/1035501242.db2.gz SFWIDWMHABKNGO-MRVPVSSYSA-N -1 1 354.314 2.956 20 30 FFEDMM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743325 1035711176 /nfs/dbraw/zinc/71/11/76/1035711176.db2.gz LROHJNJAZXSENL-AWEZNQCLSA-N -1 1 361.430 2.662 20 30 FFEDMM COC(=O)c1nc(Br)sc1[N-]c1cnc(C#N)c(F)c1 ZINC001203056030 1035815861 /nfs/dbraw/zinc/81/58/61/1035815861.db2.gz WSJRLNWEJDDUFR-UHFFFAOYSA-N -1 1 357.164 2.842 20 30 FFEDMM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=S)ncc1C(=O)OCC ZINC001228550923 1036173094 /nfs/dbraw/zinc/17/30/94/1036173094.db2.gz IQEDKOOIXUHJBX-JTQLQIEISA-N -1 1 354.428 2.607 20 30 FFEDMM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3cnnc(=S)[n-]3)[C@@H]12 ZINC001228643204 1036226255 /nfs/dbraw/zinc/22/62/55/1036226255.db2.gz YLQOGQROTBJHOD-ADOMEBDSSA-N -1 1 359.451 2.916 20 30 FFEDMM C=CCn1c(=O)c2ccc(C(=O)Nc3nc(C(C)C)n[nH]3)cc2[n-]c1=S ZINC000120958256 1036352881 /nfs/dbraw/zinc/35/28/81/1036352881.db2.gz HVFZATIAZJPPFQ-UHFFFAOYSA-N -1 1 370.438 2.739 20 30 FFEDMM CC(=O)N1CC[C@@H](Oc2cc([O-])ccc2C(=O)/C=C/c2ccc(O)cc2)C1 ZINC001229270786 1036592047 /nfs/dbraw/zinc/59/20/47/1036592047.db2.gz TVGLUDLKEMANPO-CHHNCHTKSA-N -1 1 367.401 2.994 20 30 FFEDMM CC[C@@H](O)C(=O)Oc1cc([O-])cc(OC)c1C(=O)/C=C/c1ccccc1 ZINC001229527678 1036722900 /nfs/dbraw/zinc/72/29/00/1036722900.db2.gz OYFKYHGFMOFLFI-BOLDSZDNSA-N -1 1 356.374 2.973 20 30 FFEDMM C/C(=N\[O-])c1ccccc1O[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC001229737025 1036860784 /nfs/dbraw/zinc/86/07/84/1036860784.db2.gz OAMGVFYTHQJFHD-ITRAFESCSA-N -1 1 350.415 2.900 20 30 FFEDMM C=C1O[C@H](CC)C(=O)C1Oc1c(C(=O)OC)nc(-c2ccccc2)[n-]c1=O ZINC001234553789 1037084153 /nfs/dbraw/zinc/08/41/53/1037084153.db2.gz HAGBELFVBVXLEJ-GFCCVEGCSA-N -1 1 370.361 2.624 20 30 FFEDMM CC[C@H]1OC(C)=C(Oc2c(=O)[n-]c(-c3ccccc3)nc2C(=O)OC)C1=O ZINC001234553789 1037084160 /nfs/dbraw/zinc/08/41/60/1037084160.db2.gz HAGBELFVBVXLEJ-GFCCVEGCSA-N -1 1 370.361 2.624 20 30 FFEDMM COc1c(/C=C/C(=O)c2ccc([O-])cc2)ccc(O)c1OC1COCOC1 ZINC001230153931 1037123450 /nfs/dbraw/zinc/12/34/50/1037123450.db2.gz LKDXGJSXLFLKMF-XBXARRHUSA-N -1 1 372.373 2.754 20 30 FFEDMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccccc3C#N)cccc21 ZINC001258282883 1039294825 /nfs/dbraw/zinc/29/48/25/1039294825.db2.gz DIBKNPKJFBAVQO-MRXNPFEDSA-N -1 1 357.435 2.744 20 30 FFEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)cc1 ZINC001251841092 1039319193 /nfs/dbraw/zinc/31/91/93/1039319193.db2.gz AIIPQCIETAHZAA-UHFFFAOYSA-N -1 1 351.334 2.596 20 30 FFEDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(C#N)c(F)c1F)C(=O)C2 ZINC001258986571 1039641708 /nfs/dbraw/zinc/64/17/08/1039641708.db2.gz XVAFOGZJWLPPTQ-PIGZYNQJSA-N -1 1 368.405 2.974 20 30 FFEDMM CC(C)(O)C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001259091026 1039704102 /nfs/dbraw/zinc/70/41/02/1039704102.db2.gz LRUNKPBYOKQIOU-UHFFFAOYSA-N -1 1 351.374 2.888 20 30 FFEDMM Cc1c(Br)nccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259118781 1039727739 /nfs/dbraw/zinc/72/77/39/1039727739.db2.gz QUHLBWDYGSRYNG-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c3ncccc23)ccc1F ZINC001259419724 1039989862 /nfs/dbraw/zinc/98/98/62/1039989862.db2.gz PQSOJSMIMXKELO-UHFFFAOYSA-N -1 1 352.350 2.918 20 30 FFEDMM COC(=O)c1cc(F)cc(F)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259419168 1039990355 /nfs/dbraw/zinc/99/03/55/1039990355.db2.gz MDNVMDNEUHHCKX-UHFFFAOYSA-N -1 1 370.308 2.563 20 30 FFEDMM COc1ccc(CN2CC[C@](C)(C#N)C2)c([O-])c1I ZINC001248498980 1040302393 /nfs/dbraw/zinc/30/23/93/1040302393.db2.gz XMSYIGUETOXGKD-CQSZACIVSA-N -1 1 372.206 2.741 20 30 FFEDMM Cc1ccc(Br)nc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260039156 1040370576 /nfs/dbraw/zinc/37/05/76/1040370576.db2.gz QRZWEFIWEANRFD-UHFFFAOYSA-N -1 1 366.240 2.966 20 30 FFEDMM N#Cc1cccc(OCC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c1 ZINC001260207413 1040462191 /nfs/dbraw/zinc/46/21/91/1040462191.db2.gz TVFMZUUBANYKJT-UHFFFAOYSA-N -1 1 372.780 2.847 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CCOCC1 ZINC001260433516 1040588341 /nfs/dbraw/zinc/58/83/41/1040588341.db2.gz YDDSRHVAOSAPGO-UHFFFAOYSA-N -1 1 369.657 2.998 20 30 FFEDMM C=C(C)Cn1c(CCC)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001263309695 1042234517 /nfs/dbraw/zinc/23/45/17/1042234517.db2.gz RBOJLDYMQRUTRI-CYBMUJFWSA-N -1 1 358.446 2.652 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001321062598 1045529020 /nfs/dbraw/zinc/52/90/20/1045529020.db2.gz IDEYEMPJAHPWGK-NXEZZACHSA-N -1 1 366.851 2.770 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)cc1 ZINC001323495590 1045611116 /nfs/dbraw/zinc/61/11/16/1045611116.db2.gz GZXBWAVMJJJGFL-UHFFFAOYSA-N -1 1 357.391 2.510 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc(-c2ccccc2)ns1 ZINC001322823754 1046239497 /nfs/dbraw/zinc/23/94/97/1046239497.db2.gz CGIRYRJDHSBRII-UHFFFAOYSA-N -1 1 369.427 2.689 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001341854984 1050467334 /nfs/dbraw/zinc/46/73/34/1050467334.db2.gz WGGMZYWZCACIJB-HIFRSBDPSA-N -1 1 350.430 2.622 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001341854984 1050467339 /nfs/dbraw/zinc/46/73/39/1050467339.db2.gz WGGMZYWZCACIJB-HIFRSBDPSA-N -1 1 350.430 2.622 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)[C@H]1CC[C@@H]1OC ZINC001342294942 1050888275 /nfs/dbraw/zinc/88/82/75/1050888275.db2.gz YSTUTMZATZSVHR-JSGCOSHPSA-N -1 1 363.849 2.889 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCC2(CCCCC2)CC1 ZINC001343568108 1052311698 /nfs/dbraw/zinc/31/16/98/1052311698.db2.gz VXCBHSNNKNMBAM-UHFFFAOYSA-N -1 1 356.478 2.509 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCC2(CCCCC2)CC1 ZINC001343568108 1052311702 /nfs/dbraw/zinc/31/17/02/1052311702.db2.gz VXCBHSNNKNMBAM-UHFFFAOYSA-N -1 1 356.478 2.509 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H](C2CCOCC2)C1 ZINC001343713202 1052384394 /nfs/dbraw/zinc/38/43/94/1052384394.db2.gz FWAKWVDTQMMJCG-OAHLLOKOSA-N -1 1 372.473 2.593 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001343736913 1052396094 /nfs/dbraw/zinc/39/60/94/1052396094.db2.gz RXHWNRUVCYTIGT-TXEJJXNPSA-N -1 1 363.849 2.889 20 30 FFEDMM C=CCC[C@H]1CCCN1c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCCCO1 ZINC001347162611 1053680082 /nfs/dbraw/zinc/68/00/82/1053680082.db2.gz XPWMKRNQCDJPMZ-GJZGRUSLSA-N -1 1 372.473 2.878 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 ZINC001351669101 1054946609 /nfs/dbraw/zinc/94/66/09/1054946609.db2.gz NBUQZAQNRBWGPY-AWEZNQCLSA-N -1 1 370.848 2.563 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 ZINC001351669101 1054946625 /nfs/dbraw/zinc/94/66/25/1054946625.db2.gz NBUQZAQNRBWGPY-AWEZNQCLSA-N -1 1 370.848 2.563 20 30 FFEDMM CC[C@@H](Cc1ccccc1C)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001348982546 1055033121 /nfs/dbraw/zinc/03/31/21/1055033121.db2.gz DBMCFBIXGGWWLC-AWEZNQCLSA-N -1 1 356.447 2.829 20 30 FFEDMM C=C(CNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)c1ccccc1 ZINC000847372058 1055628809 /nfs/dbraw/zinc/62/88/09/1055628809.db2.gz AGFPWKRAMMPNIK-UKRRQHHQSA-N -1 1 369.387 2.941 20 30 FFEDMM CCOC(=O)C1=C(NC(=O)c2coc(C#N)c2)[N-]c2ccccc2N=C1C ZINC001350860485 1055972003 /nfs/dbraw/zinc/97/20/03/1055972003.db2.gz VXSPIGSIOFJXAM-UHFFFAOYSA-N -1 1 364.361 2.874 20 30 FFEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001546286437 1059124397 /nfs/dbraw/zinc/12/43/97/1059124397.db2.gz FKSGFOJFVQRCBB-CQSZACIVSA-N -1 1 355.360 2.717 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC001520541492 1059781400 /nfs/dbraw/zinc/78/14/00/1059781400.db2.gz OSSQLNQDHHSSQD-XIKOKIGWSA-N -1 1 360.845 2.963 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC001475572977 1061144293 /nfs/dbraw/zinc/14/42/93/1061144293.db2.gz WONCFPSEKPKDDY-QGZVFWFLSA-N -1 1 373.478 2.874 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)C(=O)OCC ZINC001464262422 1062513401 /nfs/dbraw/zinc/51/34/01/1062513401.db2.gz YJYQIVZLXFKCNH-OAHLLOKOSA-N -1 1 359.875 2.743 20 30 FFEDMM CCOC(=O)[C@@]([N-]C(=O)[C@@H](F)C(F)(F)F)(C1CCC1)C(F)(F)F ZINC001531594266 1062815994 /nfs/dbraw/zinc/81/59/94/1062815994.db2.gz IGUOCYCZHKGNOR-XCBNKYQSSA-N -1 1 353.234 2.667 20 30 FFEDMM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001469874019 1064221368 /nfs/dbraw/zinc/22/13/68/1064221368.db2.gz IYEKXBRNMRGBQO-QGZVFWFLSA-N -1 1 365.364 2.757 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2cccc(F)c2C#N)n1 ZINC001474606685 1065560583 /nfs/dbraw/zinc/56/05/83/1065560583.db2.gz OBEWWGKYKJPXBS-OAHLLOKOSA-N -1 1 359.405 2.869 20 30 FFEDMM N#Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC001581873250 1079011391 /nfs/dbraw/zinc/01/13/91/1079011391.db2.gz UVMMVZIXNUYPKM-UHFFFAOYSA-N -1 1 359.802 2.775 20 30 FFEDMM N#Cc1ncc(NCc2c(Cl)oc3ccccc32)nc1-c1nn[n-]n1 ZINC001581884155 1079012565 /nfs/dbraw/zinc/01/25/65/1079012565.db2.gz MYCPCBGWGCDMMB-UHFFFAOYSA-N -1 1 352.745 2.540 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001569206013 1077134354 /nfs/dbraw/zinc/13/43/54/1077134354.db2.gz SJCAVKLKKMWTAD-MSOLQXFVSA-N -1 1 372.446 2.561 20 30 FFEDMM Brc1cc(NN=Cc2ccc(-c3nn[n-]n3)s2)ccn1 ZINC001588318627 1079973962 /nfs/dbraw/zinc/97/39/62/1079973962.db2.gz WKLBHXOJKFKSAD-UHFFFAOYSA-N -1 1 350.205 2.532 20 30 FFEDMM C=CC[C@@H](CC)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001588541333 1080087876 /nfs/dbraw/zinc/08/78/76/1080087876.db2.gz MOPHPIIWFWMSIZ-LLVKDONJSA-N -1 1 370.392 2.668 20 30 FFEDMM C=CCOc1ccccc1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001588688678 1080154324 /nfs/dbraw/zinc/15/43/24/1080154324.db2.gz NNTNIXJAKRFCFW-UHFFFAOYSA-N -1 1 353.357 2.501 20 30 FFEDMM C=CCOc1ccccc1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001588688678 1080154328 /nfs/dbraw/zinc/15/43/28/1080154328.db2.gz NNTNIXJAKRFCFW-UHFFFAOYSA-N -1 1 353.357 2.501 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cc(N)ccc1F ZINC001588781213 1080193016 /nfs/dbraw/zinc/19/30/16/1080193016.db2.gz MSCDPMVPFZPPSA-UHFFFAOYSA-N -1 1 358.381 2.710 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(F)ccc2O)o1 ZINC001588781468 1080193049 /nfs/dbraw/zinc/19/30/49/1080193049.db2.gz DCIAGBZTIZMIIF-UHFFFAOYSA-N -1 1 359.365 2.734 20 30 FFEDMM CC(C)(CCCc1ccccc1)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589276294 1080459985 /nfs/dbraw/zinc/45/99/85/1080459985.db2.gz NDOPYNPTUBSHPE-UHFFFAOYSA-N -1 1 362.441 2.989 20 30 FFEDMM CC(C)(CCCc1ccccc1)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589276294 1080459990 /nfs/dbraw/zinc/45/99/90/1080459990.db2.gz NDOPYNPTUBSHPE-UHFFFAOYSA-N -1 1 362.441 2.989 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(N(C)C(C)C)nc2)o1 ZINC001589773994 1080731436 /nfs/dbraw/zinc/73/14/36/1080731436.db2.gz QYPPOCXSNAKWDN-UHFFFAOYSA-N -1 1 369.433 2.664 20 30 FFEDMM C[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001589937373 1080882074 /nfs/dbraw/zinc/88/20/74/1080882074.db2.gz CVBHLQXHQOHVMN-LLVKDONJSA-N -1 1 357.377 2.711 20 30 FFEDMM C=CCn1c(-c2sc(NC(=O)COC(C)C)nc2C)n[n-]c1=S ZINC000115897521 210170734 /nfs/dbraw/zinc/17/07/34/210170734.db2.gz QBPJUVDBOBDRJH-UHFFFAOYSA-N -1 1 353.473 2.922 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1noc(-c2ccccc2)n1 ZINC000366620083 512111072 /nfs/dbraw/zinc/11/10/72/512111072.db2.gz JWRFSLFGENODTK-SNVBAGLBSA-N -1 1 360.420 2.709 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000008294907 210097181 /nfs/dbraw/zinc/09/71/81/210097181.db2.gz MLBFJMVNDDVBRF-UHFFFAOYSA-N -1 1 360.435 2.802 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000055664184 506819452 /nfs/dbraw/zinc/81/94/52/506819452.db2.gz BWFLAQQABSUEKM-UHFFFAOYSA-N -1 1 358.419 2.606 20 30 FFEDMM Cc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000063962058 507781923 /nfs/dbraw/zinc/78/19/23/507781923.db2.gz WIKPCTQHSQRPQU-UHFFFAOYSA-N -1 1 361.423 2.789 20 30 FFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCCCC3)c1 ZINC000075148552 508086278 /nfs/dbraw/zinc/08/62/78/508086278.db2.gz FXHVTJYYYROFMU-HNNXBMFYSA-N -1 1 359.455 2.715 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000114673277 508335539 /nfs/dbraw/zinc/33/55/39/508335539.db2.gz AWDHHTFKDYVQFE-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114673548 508335780 /nfs/dbraw/zinc/33/57/80/508335780.db2.gz FFJBTYSMQIAQAE-UHFFFAOYSA-N -1 1 369.446 2.868 20 30 FFEDMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000115313437 508384224 /nfs/dbraw/zinc/38/42/24/508384224.db2.gz VAJNAWZPLQIANY-QFIPXVFZSA-N -1 1 368.867 2.891 20 30 FFEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)C1CC1 ZINC000134464582 508536341 /nfs/dbraw/zinc/53/63/41/508536341.db2.gz ADXLABHKORBNSL-UHFFFAOYSA-N -1 1 369.446 2.870 20 30 FFEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(C)o1 ZINC000124352178 508819604 /nfs/dbraw/zinc/81/96/04/508819604.db2.gz XKCKHCOPQCYVGS-ZDUSSCGKSA-N -1 1 354.815 2.779 20 30 FFEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000130761937 508842817 /nfs/dbraw/zinc/84/28/17/508842817.db2.gz DFJUSKVNLVTVAH-UHFFFAOYSA-N -1 1 367.312 2.649 20 30 FFEDMM Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000121300871 509164620 /nfs/dbraw/zinc/16/46/20/509164620.db2.gz XGAIOIXMSMBRQF-UHFFFAOYSA-N -1 1 373.825 2.808 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CCC#N)CC1CC1 ZINC000264061318 509309898 /nfs/dbraw/zinc/30/98/98/509309898.db2.gz LTKXTBVZOGMAIX-UHFFFAOYSA-N -1 1 365.437 2.638 20 30 FFEDMM COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189071042 509396513 /nfs/dbraw/zinc/39/65/13/509396513.db2.gz QTIOXRCUBXQWOV-KRWDZBQOSA-N -1 1 352.390 2.558 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](C)C#N)cc2)c1C ZINC000171847069 510407065 /nfs/dbraw/zinc/40/70/65/510407065.db2.gz WLVCMFVYMAVXDN-ZDUSSCGKSA-N -1 1 371.462 2.994 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)nc1 ZINC000194571011 510429000 /nfs/dbraw/zinc/42/90/00/510429000.db2.gz AGBXDWIHJSVYDR-UHFFFAOYSA-N -1 1 352.213 2.658 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1[O-] ZINC000191149762 510525051 /nfs/dbraw/zinc/52/50/51/510525051.db2.gz QXJDKJSMIARYMG-UHFFFAOYSA-N -1 1 355.438 2.565 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000184898473 510572017 /nfs/dbraw/zinc/57/20/17/510572017.db2.gz RWRINNBHRLSYLN-UHFFFAOYSA-N -1 1 367.430 2.503 20 30 FFEDMM N#Cc1c[nH]c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000175321929 510589036 /nfs/dbraw/zinc/58/90/36/510589036.db2.gz QPBWBNRBCHUFNO-UHFFFAOYSA-N -1 1 366.402 2.939 20 30 FFEDMM COC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(C)o1 ZINC000185016989 510636012 /nfs/dbraw/zinc/63/60/12/510636012.db2.gz OFYHMOXAYRBURO-ZDUSSCGKSA-N -1 1 354.815 2.779 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc1[O-] ZINC000188381551 510739959 /nfs/dbraw/zinc/73/99/59/510739959.db2.gz PMQAEWOMUZBUNU-OAHLLOKOSA-N -1 1 371.387 2.936 20 30 FFEDMM Cc1nc(CN2CCC(CNC(=O)c3ccc(C#N)c([O-])c3)CC2)oc1C ZINC000188389137 510743708 /nfs/dbraw/zinc/74/37/08/510743708.db2.gz ZVKVMAJLFCNSDA-UHFFFAOYSA-N -1 1 368.437 2.511 20 30 FFEDMM N#Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)cc3[O-])CC2)nc1 ZINC000360278948 510892285 /nfs/dbraw/zinc/89/22/85/510892285.db2.gz KBPZJNTVBBJKBF-UHFFFAOYSA-N -1 1 356.813 2.711 20 30 FFEDMM CC[C@H]1OCCC[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000330280761 510955779 /nfs/dbraw/zinc/95/57/79/510955779.db2.gz SYKQSVFSXNAQFS-CZUORRHYSA-N -1 1 368.455 2.626 20 30 FFEDMM CC[C@H]1OCCC[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000330280762 510956219 /nfs/dbraw/zinc/95/62/19/510956219.db2.gz SYKQSVFSXNAQFS-XJKSGUPXSA-N -1 1 368.455 2.626 20 30 FFEDMM COC(=O)c1c[n-]c(SCC(=O)N(CCC#N)c2cccc(C)c2C)n1 ZINC000278675789 511003303 /nfs/dbraw/zinc/00/33/03/511003303.db2.gz ORBZJQLQESZOMB-UHFFFAOYSA-N -1 1 372.450 2.852 20 30 FFEDMM C#CCn1ccc(CN(CC)C(=O)c2ccc(Br)cc2[O-])n1 ZINC000279106979 511019643 /nfs/dbraw/zinc/01/96/43/511019643.db2.gz KISTXNUWNVPPLD-UHFFFAOYSA-N -1 1 362.227 2.647 20 30 FFEDMM Cc1cccc([C@H]([N-]S(=O)(=O)c2cccnc2C#N)c2ccccn2)c1 ZINC000365405700 511431536 /nfs/dbraw/zinc/43/15/36/511431536.db2.gz OGKOHRLGDXOMSX-IBGZPJMESA-N -1 1 364.430 2.725 20 30 FFEDMM C[C@@H](CCCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000292409199 511586582 /nfs/dbraw/zinc/58/65/82/511586582.db2.gz UFWVEDYCJWXVDZ-LBPRGKRZSA-N -1 1 371.459 2.513 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000280754977 511589625 /nfs/dbraw/zinc/58/96/25/511589625.db2.gz MTMDSSTWJBSCPM-ONGXEEELSA-N -1 1 366.302 2.770 20 30 FFEDMM CC[C@H](CC#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000273899048 511648002 /nfs/dbraw/zinc/64/80/02/511648002.db2.gz VNHYZCUHDHPKQB-SECBINFHSA-N -1 1 359.304 2.925 20 30 FFEDMM CC1(C)C[C@]1(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000292581003 511649445 /nfs/dbraw/zinc/64/94/45/511649445.db2.gz VIQGTCTZGWVHDJ-LJQANCHMSA-N -1 1 369.446 2.909 20 30 FFEDMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)c[n-]c2[nH+]1 ZINC000329019106 511967720 /nfs/dbraw/zinc/96/77/20/511967720.db2.gz RUSPZVMJUQPHBW-AWEZNQCLSA-N -1 1 368.437 2.863 20 30 FFEDMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)c[n-]c2n1 ZINC000329019106 511967730 /nfs/dbraw/zinc/96/77/30/511967730.db2.gz RUSPZVMJUQPHBW-AWEZNQCLSA-N -1 1 368.437 2.863 20 30 FFEDMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CCCCS1 ZINC000329328948 512028010 /nfs/dbraw/zinc/02/80/10/512028010.db2.gz KTMGHOYJBFWZET-AWEZNQCLSA-N -1 1 356.469 2.707 20 30 FFEDMM CO[C@](C)(C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1CC1 ZINC000329661355 512083524 /nfs/dbraw/zinc/08/35/24/512083524.db2.gz OKKMBZZYJJWZJF-KRWDZBQOSA-N -1 1 368.455 2.580 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000371785017 512573177 /nfs/dbraw/zinc/57/31/77/512573177.db2.gz HOBDHBRUHUIWNB-WMZOPIPTSA-N -1 1 358.401 2.835 20 30 FFEDMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1 ZINC000367874784 512701313 /nfs/dbraw/zinc/70/13/13/512701313.db2.gz PYHSXRMQGBIWLG-GOEBONIOSA-N -1 1 365.842 2.528 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000391457918 512916514 /nfs/dbraw/zinc/91/65/14/512916514.db2.gz GFYAVIGKLVPDLM-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc2o1 ZINC000439874584 513201720 /nfs/dbraw/zinc/20/17/20/513201720.db2.gz BSGDQNOOTPPUQG-UHFFFAOYSA-N -1 1 371.418 2.998 20 30 FFEDMM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2ccccc2Cl)c1C#N ZINC000446760899 513332200 /nfs/dbraw/zinc/33/22/00/513332200.db2.gz IJAQVQYMCZOKPP-UHFFFAOYSA-N -1 1 367.862 2.723 20 30 FFEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000450990699 513443535 /nfs/dbraw/zinc/44/35/35/513443535.db2.gz VCSSLIFIIVXWCX-UHFFFAOYSA-N -1 1 352.382 2.580 20 30 FFEDMM COC[C@](C)([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000450996245 513446138 /nfs/dbraw/zinc/44/61/38/513446138.db2.gz GMTQXIAZFLYYKS-LBPRGKRZSA-N -1 1 370.780 2.652 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)ccc1C#N ZINC000435751579 513676468 /nfs/dbraw/zinc/67/64/68/513676468.db2.gz GVIJPBQIKHPPKZ-UHFFFAOYSA-N -1 1 370.434 2.951 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)NC(C)C)cc2)ccc1C#N ZINC000435756782 513679157 /nfs/dbraw/zinc/67/91/57/513679157.db2.gz VECXUKZVECJXTD-UHFFFAOYSA-N -1 1 371.462 2.735 20 30 FFEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(OCC(N)=O)c2)s1 ZINC000430581716 513694950 /nfs/dbraw/zinc/69/49/50/513694950.db2.gz HTUJGFGGXVERPK-ZDUSSCGKSA-N -1 1 357.435 2.795 20 30 FFEDMM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n1 ZINC000425949832 513805054 /nfs/dbraw/zinc/80/50/54/513805054.db2.gz JLZVTGIEPDHFGU-UHFFFAOYSA-N -1 1 367.434 2.616 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCCC2)o1 ZINC000416509103 513810671 /nfs/dbraw/zinc/81/06/71/513810671.db2.gz QAFAGLIEIPYNIY-KRWDZBQOSA-N -1 1 360.435 2.724 20 30 FFEDMM N#Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)cc1[O-] ZINC000442960386 513828907 /nfs/dbraw/zinc/82/89/07/513828907.db2.gz BABMHLFVDPGXQU-HNNXBMFYSA-N -1 1 371.393 2.557 20 30 FFEDMM CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443125981 513880207 /nfs/dbraw/zinc/88/02/07/513880207.db2.gz XODBUFMHFMHFBY-INIZCTEOSA-N -1 1 372.808 2.821 20 30 FFEDMM C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000448869025 513942511 /nfs/dbraw/zinc/94/25/11/513942511.db2.gz MOOFQSLOHQBAQQ-KUHUBIRLSA-N -1 1 369.446 2.653 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cc1[O-] ZINC000443346166 513945123 /nfs/dbraw/zinc/94/51/23/513945123.db2.gz VPQVPVDJHISKKI-UHFFFAOYSA-N -1 1 371.194 2.604 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc([O-])cc2F)n1 ZINC000436748771 513967198 /nfs/dbraw/zinc/96/71/98/513967198.db2.gz QPVFWROKLBHGJE-UHFFFAOYSA-N -1 1 356.744 2.916 20 30 FFEDMM CCOc1cc(-c2noc([C@@H](C)n3cnc(C#N)n3)n2)cc(Cl)c1[O-] ZINC000436876775 514018450 /nfs/dbraw/zinc/01/84/50/514018450.db2.gz KMAHLBVXZNUVHS-MRVPVSSYSA-N -1 1 360.761 2.567 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1F ZINC000427199334 514147319 /nfs/dbraw/zinc/14/73/19/514147319.db2.gz XMIRGEKJNCHFIO-UHFFFAOYSA-N -1 1 359.382 2.773 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438761723 514437784 /nfs/dbraw/zinc/43/77/84/514437784.db2.gz COEJJQCMCUVHPJ-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000507921549 514612636 /nfs/dbraw/zinc/61/26/36/514612636.db2.gz XIWXRQMFJQBGLB-UHFFFAOYSA-N -1 1 365.798 2.752 20 30 FFEDMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475822932 514822980 /nfs/dbraw/zinc/82/29/80/514822980.db2.gz YILZXSVYQZODLM-UHFFFAOYSA-N -1 1 357.435 2.693 20 30 FFEDMM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000467143403 514916524 /nfs/dbraw/zinc/91/65/24/514916524.db2.gz DVRBXVVNYRYFGK-SNVBAGLBSA-N -1 1 352.362 2.885 20 30 FFEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000511110617 515784536 /nfs/dbraw/zinc/78/45/36/515784536.db2.gz YMIWUDPFLDMJMZ-UHFFFAOYSA-N -1 1 374.418 2.775 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C(N)=O)c1 ZINC000478686655 515924376 /nfs/dbraw/zinc/92/43/76/515924376.db2.gz JXYFESCEYZBZDQ-UHFFFAOYSA-N -1 1 373.434 2.554 20 30 FFEDMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1C#N ZINC000464839832 515984185 /nfs/dbraw/zinc/98/41/85/515984185.db2.gz ZSVVORQVSPSHEZ-UHFFFAOYSA-N -1 1 366.395 2.918 20 30 FFEDMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)c2=O ZINC000512050148 516131283 /nfs/dbraw/zinc/13/12/83/516131283.db2.gz RRMSVBSFUOEYNO-MRXNPFEDSA-N -1 1 363.421 2.966 20 30 FFEDMM C=CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000497109810 516296545 /nfs/dbraw/zinc/29/65/45/516296545.db2.gz UQZNAZLUPGHNEA-UHFFFAOYSA-N -1 1 354.472 2.964 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)o1 ZINC000557798504 516444912 /nfs/dbraw/zinc/44/49/12/516444912.db2.gz OMFDSGIKDYHXHZ-UHFFFAOYSA-N -1 1 360.313 2.571 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(Br)c2)o1 ZINC000557802521 516446610 /nfs/dbraw/zinc/44/66/10/516446610.db2.gz UOKJLXABXQQDIB-UHFFFAOYSA-N -1 1 373.203 2.574 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])c(F)c1 ZINC000547870302 516610474 /nfs/dbraw/zinc/61/04/74/516610474.db2.gz NRZLNVKWSLUPGV-UHFFFAOYSA-N -1 1 372.736 2.989 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000548241226 516847164 /nfs/dbraw/zinc/84/71/64/516847164.db2.gz UOFITBAWRMUEQH-BXUZGUMPSA-N -1 1 372.393 2.538 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(N2CCCCC2)n1 ZINC000525327289 517010191 /nfs/dbraw/zinc/01/01/91/517010191.db2.gz GKANTQGTYSTMSD-CQSZACIVSA-N -1 1 360.421 2.844 20 30 FFEDMM O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000537125880 517048921 /nfs/dbraw/zinc/04/89/21/517048921.db2.gz KYBWAFBFKVVMFN-IBGZPJMESA-N -1 1 357.417 2.619 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCc2ccc(C#N)cc21 ZINC000555772142 517114504 /nfs/dbraw/zinc/11/45/04/517114504.db2.gz PSPXPKBHFPCVRQ-UHFFFAOYSA-N -1 1 371.400 2.556 20 30 FFEDMM C=CCCC[C@@H](C)NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000538354414 517581852 /nfs/dbraw/zinc/58/18/52/517581852.db2.gz XABVDSAJXHJIFP-GFCCVEGCSA-N -1 1 355.460 2.933 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)ccc1F ZINC000549522533 517599895 /nfs/dbraw/zinc/59/98/95/517599895.db2.gz SXBMFMRNQNDATF-JTQLQIEISA-N -1 1 365.333 2.736 20 30 FFEDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccccc1Cl ZINC000553423263 517706930 /nfs/dbraw/zinc/70/69/30/517706930.db2.gz CRHWFBKBPXRYAP-NSHDSACASA-N -1 1 354.815 2.941 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)o1 ZINC000553856395 517934395 /nfs/dbraw/zinc/93/43/95/517934395.db2.gz NZPAGUSYHXCEGA-QWHCGFSZSA-N -1 1 354.334 2.587 20 30 FFEDMM N#CC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000567011341 518309674 /nfs/dbraw/zinc/30/96/74/518309674.db2.gz XDOYBZWURKUWEW-UHFFFAOYSA-N -1 1 355.419 2.521 20 30 FFEDMM CC(C)([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1 ZINC000564776030 518608552 /nfs/dbraw/zinc/60/85/52/518608552.db2.gz PSBJBUPNGKCXSI-UHFFFAOYSA-N -1 1 361.236 2.927 20 30 FFEDMM N#Cc1ccncc1N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000582412274 518740852 /nfs/dbraw/zinc/74/08/52/518740852.db2.gz YZGINLJTLJRZEQ-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c1 ZINC000589169314 518938920 /nfs/dbraw/zinc/93/89/20/518938920.db2.gz AMVOXKIHIFQLNE-UHFFFAOYSA-N -1 1 369.465 2.909 20 30 FFEDMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000571196775 518973591 /nfs/dbraw/zinc/97/35/91/518973591.db2.gz PTIZYPULPNURQA-GFCCVEGCSA-N -1 1 370.496 2.879 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)o1 ZINC000577271444 518999536 /nfs/dbraw/zinc/99/95/36/518999536.db2.gz LRTCGILOZHSNON-JTQLQIEISA-N -1 1 359.190 2.870 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N[C@@H](C#N)c2ccc(F)cc2)c(=O)[n-]1 ZINC000590639241 519299329 /nfs/dbraw/zinc/29/93/29/519299329.db2.gz ALVWIAZTGKTZLS-AWEZNQCLSA-N -1 1 360.414 2.665 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCN(c3cccc(F)c3F)CC2)c1 ZINC000597711128 520189531 /nfs/dbraw/zinc/18/95/31/520189531.db2.gz FMCDPTYFNXPKDE-UHFFFAOYSA-N -1 1 357.360 2.895 20 30 FFEDMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1)C1CC1 ZINC000600654514 520376095 /nfs/dbraw/zinc/37/60/95/520376095.db2.gz YFFYGSKYMUTWIQ-AWEZNQCLSA-N -1 1 373.272 2.878 20 30 FFEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2cccc3c2CCNC3=O)cc1 ZINC000593213968 520834493 /nfs/dbraw/zinc/83/44/93/520834493.db2.gz CGFCAGMESGKCBA-UHFFFAOYSA-N -1 1 369.446 2.574 20 30 FFEDMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593277040 520874678 /nfs/dbraw/zinc/87/46/78/520874678.db2.gz KVNLFXGZJUKRPY-UHFFFAOYSA-N -1 1 358.467 2.745 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000614293987 520894345 /nfs/dbraw/zinc/89/43/45/520894345.db2.gz HDIOVEWDZCNWPT-HNNXBMFYSA-N -1 1 365.437 2.602 20 30 FFEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(F)c1 ZINC000610914809 520902074 /nfs/dbraw/zinc/90/20/74/520902074.db2.gz ZTZFKBMEZKYHMG-UHFFFAOYSA-N -1 1 351.334 2.596 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(=O)[n-]1 ZINC000618739037 521207319 /nfs/dbraw/zinc/20/73/19/521207319.db2.gz XAVIMEYWQQDCQS-MRXNPFEDSA-N -1 1 368.462 2.821 20 30 FFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCN(CC(F)(F)F)CC1 ZINC000619414914 521555932 /nfs/dbraw/zinc/55/59/32/521555932.db2.gz RQIPXNFRIJEBCP-LLVKDONJSA-N -1 1 355.360 2.656 20 30 FFEDMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1)C(C)=O ZINC000619461817 521579429 /nfs/dbraw/zinc/57/94/29/521579429.db2.gz NMQNXHLCRMGRSF-UHFFFAOYSA-N -1 1 371.462 2.922 20 30 FFEDMM C=CC[C@@H]1CCN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000628487112 523577775 /nfs/dbraw/zinc/57/77/75/523577775.db2.gz XWCSVUGLEORYFM-OAHLLOKOSA-N -1 1 352.438 2.910 20 30 FFEDMM N#CC1(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CCC1 ZINC000737676686 598834040 /nfs/dbraw/zinc/83/40/40/598834040.db2.gz XEURHUGJPZPUBV-UHFFFAOYSA-N -1 1 364.434 2.905 20 30 FFEDMM N#CCCSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737694644 599004926 /nfs/dbraw/zinc/00/49/26/599004926.db2.gz ORXLJRHZJSMZFF-UHFFFAOYSA-N -1 1 351.395 2.520 20 30 FFEDMM N#CCCSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737694644 599004928 /nfs/dbraw/zinc/00/49/28/599004928.db2.gz ORXLJRHZJSMZFF-UHFFFAOYSA-N -1 1 351.395 2.520 20 30 FFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000819811627 598230024 /nfs/dbraw/zinc/23/00/24/598230024.db2.gz SKEASCSVXCWUIT-SUMWQHHRSA-N -1 1 360.801 2.884 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(F)c(F)c(F)c2)o1 ZINC000735851212 598536622 /nfs/dbraw/zinc/53/66/22/598536622.db2.gz NVIUCBHOCFJCQR-UHFFFAOYSA-N -1 1 365.319 2.917 20 30 FFEDMM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)S1 ZINC000822361705 599379759 /nfs/dbraw/zinc/37/97/59/599379759.db2.gz HAZRGBJQBXIEIN-MDWZMJQESA-N -1 1 352.379 2.660 20 30 FFEDMM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)S1 ZINC000822361705 599379762 /nfs/dbraw/zinc/37/97/62/599379762.db2.gz HAZRGBJQBXIEIN-MDWZMJQESA-N -1 1 352.379 2.660 20 30 FFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000833074302 601313031 /nfs/dbraw/zinc/31/30/31/601313031.db2.gz UPISLDYPEWETBL-QGZVFWFLSA-N -1 1 369.446 2.594 20 30 FFEDMM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)[nH]n2)o1 ZINC000832906009 601349330 /nfs/dbraw/zinc/34/93/30/601349330.db2.gz NHOQOTLHRCYWFO-INIZCTEOSA-N -1 1 351.318 2.833 20 30 FFEDMM C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccco1 ZINC000823937224 607536757 /nfs/dbraw/zinc/53/67/57/607536757.db2.gz NEIVQOMIOIFCJM-UHFFFAOYSA-N -1 1 366.410 2.592 20 30 FFEDMM C=CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccco1 ZINC000823937224 607536759 /nfs/dbraw/zinc/53/67/59/607536759.db2.gz NEIVQOMIOIFCJM-UHFFFAOYSA-N -1 1 366.410 2.592 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740311174 603047008 /nfs/dbraw/zinc/04/70/08/603047008.db2.gz NXOLZUBJVLSMPF-UHFFFAOYSA-N -1 1 365.798 2.780 20 30 FFEDMM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833536358 605058230 /nfs/dbraw/zinc/05/82/30/605058230.db2.gz BADFSAZDWISQHT-SNVBAGLBSA-N -1 1 350.334 2.539 20 30 FFEDMM N#Cc1ccc(-c2nnc(CN[C@@H](CNC(=O)[O-])C3CCCCC3)o2)cc1 ZINC000833974563 605666067 /nfs/dbraw/zinc/66/60/67/605666067.db2.gz LTRRNIDLWYKYLL-INIZCTEOSA-N -1 1 369.425 2.914 20 30 FFEDMM C#CCOc1ccccc1[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819710246 606178372 /nfs/dbraw/zinc/17/83/72/606178372.db2.gz ZTALRHGKOQKLHD-NSHDSACASA-N -1 1 354.391 2.858 20 30 FFEDMM C#CCOc1ccccc1[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819710246 606178374 /nfs/dbraw/zinc/17/83/74/606178374.db2.gz ZTALRHGKOQKLHD-NSHDSACASA-N -1 1 354.391 2.858 20 30 FFEDMM COc1ccccc1CC(N=Nc1oc(C)nc1-c1nn[n-]n1)C(C)C ZINC000821889566 606238204 /nfs/dbraw/zinc/23/82/04/606238204.db2.gz CNVSOPRGPQZGDA-UHFFFAOYSA-N -1 1 355.402 2.838 20 30 FFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(C#N)c2n1CCC2 ZINC000822015342 606390418 /nfs/dbraw/zinc/39/04/18/606390418.db2.gz JANQKNSTVHGAIP-XQRVVYSFSA-N -1 1 350.407 2.752 20 30 FFEDMM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821692931 606390469 /nfs/dbraw/zinc/39/04/69/606390469.db2.gz JZTFVNNKMKWXSU-VURMDHGXSA-N -1 1 356.407 2.850 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(C3CC3)s2)o1 ZINC000819965618 606776365 /nfs/dbraw/zinc/77/63/65/606776365.db2.gz JXMXFEHLXQSPNT-UHFFFAOYSA-N -1 1 358.431 2.932 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)c(F)c2)o1 ZINC000822423778 606836057 /nfs/dbraw/zinc/83/60/57/606836057.db2.gz OMLCJRLTEAWATA-UHFFFAOYSA-N -1 1 366.154 2.511 20 30 FFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC000821850222 606836368 /nfs/dbraw/zinc/83/63/68/606836368.db2.gz ZQKIGVVDKZUZTO-NTMALXAHSA-N -1 1 354.391 2.986 20 30 FFEDMM Cc1cc(N)cc(C)c1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000826269229 607783520 /nfs/dbraw/zinc/78/35/20/607783520.db2.gz FTPORPAABIGFMO-UHFFFAOYSA-N -1 1 354.418 2.797 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc([C@H]3CCCO3)s2)o1 ZINC000824352415 607887421 /nfs/dbraw/zinc/88/74/21/607887421.db2.gz CRDUZUWMJRXDCL-SNVBAGLBSA-N -1 1 374.430 2.732 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(-c2nn[n-]n2)s1 ZINC000823962003 608094815 /nfs/dbraw/zinc/09/48/15/608094815.db2.gz CWOHWPOTAUDGIO-UHFFFAOYSA-N -1 1 356.415 2.921 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CSc2ccccc2[N+](=O)[O-])o1 ZINC000824450478 608228590 /nfs/dbraw/zinc/22/85/90/608228590.db2.gz WMHFDCJQXGXSPP-UHFFFAOYSA-N -1 1 374.386 2.651 20 30 FFEDMM N#CC1(c2ccc(COC(=O)c3sccc3-c3nn[n-]n3)cc2)CC1 ZINC000826381118 609244551 /nfs/dbraw/zinc/24/45/51/609244551.db2.gz XVRRFHSXEAPZSL-UHFFFAOYSA-N -1 1 351.391 2.840 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000746491236 735487756 /nfs/dbraw/zinc/48/77/56/735487756.db2.gz CYOJJOVSVMRYHK-UHFFFAOYSA-N -1 1 369.349 2.717 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCc3ccccc3C2)cc1 ZINC000746492463 735488080 /nfs/dbraw/zinc/48/80/80/735488080.db2.gz TXRLGFRVNYHXIZ-UHFFFAOYSA-N -1 1 359.407 2.559 20 30 FFEDMM C=CCOc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119749047 728599675 /nfs/dbraw/zinc/59/96/75/728599675.db2.gz GPHNYICKVMCMCP-UHFFFAOYSA-N -1 1 354.409 2.700 20 30 FFEDMM N#CCC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000120078794 728605491 /nfs/dbraw/zinc/60/54/91/728605491.db2.gz BXDJTCKVTOGSIU-ZDUSSCGKSA-N -1 1 351.409 2.980 20 30 FFEDMM CC#CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000126466471 728703246 /nfs/dbraw/zinc/70/32/46/728703246.db2.gz HXDADZZOBXKGFL-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM CCC(Nc1sccc1C#N)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000127349678 728706093 /nfs/dbraw/zinc/70/60/93/728706093.db2.gz BOJAFADJHUVMEE-QXMHVHEDSA-N -1 1 362.480 2.595 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000185356020 729347547 /nfs/dbraw/zinc/34/75/47/729347547.db2.gz OPKNKCXAZOADLR-ZDUSSCGKSA-N -1 1 360.410 2.686 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000185370452 729348339 /nfs/dbraw/zinc/34/83/39/729348339.db2.gz MLHQDMARBROQLE-HNNXBMFYSA-N -1 1 356.447 2.856 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCC(F)(F)F)c2)c(=O)o1 ZINC000255899323 729648901 /nfs/dbraw/zinc/64/89/01/729648901.db2.gz FFWDVHVZBADWFZ-IYKSTZQJSA-N -1 1 354.280 2.856 20 30 FFEDMM C=CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1 ZINC000504222323 729924220 /nfs/dbraw/zinc/92/42/20/729924220.db2.gz CXELDSKMLONVCY-UHFFFAOYSA-N -1 1 350.396 2.572 20 30 FFEDMM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1-n1cnnn1 ZINC000647377101 730739359 /nfs/dbraw/zinc/73/93/59/730739359.db2.gz PLJRUPYESOZOID-CYBMUJFWSA-N -1 1 350.407 2.795 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1F ZINC000917735936 737774378 /nfs/dbraw/zinc/77/43/78/737774378.db2.gz KZDLSFIGTZOKOC-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#CCCC[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccccc1 ZINC000867304592 731168290 /nfs/dbraw/zinc/16/82/90/731168290.db2.gz OJLYASWXMUEFSC-HNNXBMFYSA-N -1 1 355.485 2.518 20 30 FFEDMM CN(CC(C)(C)C#N)C(=O)c1ccc(I)cc1[O-] ZINC000868557921 731305054 /nfs/dbraw/zinc/30/50/54/731305054.db2.gz FQUHACVZSWUGOG-UHFFFAOYSA-N -1 1 358.179 2.619 20 30 FFEDMM N#Cc1csc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC000870161592 731476586 /nfs/dbraw/zinc/47/65/86/731476586.db2.gz PBLGBKXJKMSBHY-UHFFFAOYSA-N -1 1 361.854 2.937 20 30 FFEDMM O=C1Nc2cc(OC(F)(F)F)ccc2C1=N[N-]c1ncncc1Cl ZINC000780274944 738530157 /nfs/dbraw/zinc/53/01/57/738530157.db2.gz GVFMEPHDKRMFGQ-UHFFFAOYSA-N -1 1 357.679 2.797 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)c2cc(C#N)ccc2Cl)[n-]c1=O ZINC000889787901 734223636 /nfs/dbraw/zinc/22/36/36/734223636.db2.gz RXJXIEFNIXMHOR-ZDUSSCGKSA-N -1 1 358.785 2.693 20 30 FFEDMM O=c1nc(NN=Cc2ccc(-c3ccccc3F)s2)nc2[nH][n-]cc1-2 ZINC000731157951 734668657 /nfs/dbraw/zinc/66/86/57/734668657.db2.gz VIBMXOSMJWSEGI-UHFFFAOYSA-N -1 1 354.370 2.746 20 30 FFEDMM N#C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CCN1Cc1ccccc1 ZINC000734026549 734868696 /nfs/dbraw/zinc/86/86/96/734868696.db2.gz WBQKKFZHLRQILK-OAHLLOKOSA-N -1 1 355.825 2.896 20 30 FFEDMM COc1ccc(Cl)cc1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748248131 735630225 /nfs/dbraw/zinc/63/02/25/735630225.db2.gz HNENONIOXGOYRQ-UHFFFAOYSA-N -1 1 369.786 2.569 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1Cc2ccc(Cl)cc2C1 ZINC000748255110 735630800 /nfs/dbraw/zinc/63/08/00/735630800.db2.gz LSVQCADBTAMHPY-UHFFFAOYSA-N -1 1 365.798 2.681 20 30 FFEDMM C=CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000748255515 735631377 /nfs/dbraw/zinc/63/13/77/735631377.db2.gz XKLOMCHHVVDVIV-UHFFFAOYSA-N -1 1 363.370 2.993 20 30 FFEDMM Cc1cnc2nc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)nn2c1 ZINC000901379271 735772294 /nfs/dbraw/zinc/77/22/94/735772294.db2.gz YJZTXXFSPTUFEJ-UHFFFAOYSA-N -1 1 352.181 2.771 20 30 FFEDMM C=CCN(CC=C)C(=O)COC(=O)c1ccc(Br)c([O-])c1 ZINC000750550747 735800341 /nfs/dbraw/zinc/80/03/41/735800341.db2.gz INNGTKIHQAIFQW-UHFFFAOYSA-N -1 1 354.200 2.512 20 30 FFEDMM C#C[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000754372168 736152718 /nfs/dbraw/zinc/15/27/18/736152718.db2.gz WNLSJOPARWDYJW-INIZCTEOSA-N -1 1 356.447 2.937 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192665 736232370 /nfs/dbraw/zinc/23/23/70/736232370.db2.gz UZQNYMRHEBVZII-KGLIPLIRSA-N -1 1 370.833 2.740 20 30 FFEDMM CCCCC1N=NC(=S)N1N=Cc1cc(O)c([O-])c(Br)c1 ZINC000757559435 736409909 /nfs/dbraw/zinc/40/99/09/736409909.db2.gz FBJFDRGDKBZRGA-UHFFFAOYSA-N -1 1 371.260 2.965 20 30 FFEDMM O=C([O-])c1ccc(N=NCc2cc([N+](=O)[O-])ccc2OC(F)F)nc1 ZINC000763370672 736932690 /nfs/dbraw/zinc/93/26/90/736932690.db2.gz TXUMRUPRMYIKIH-UHFFFAOYSA-N -1 1 352.253 2.735 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000766482260 737233710 /nfs/dbraw/zinc/23/37/10/737233710.db2.gz HQMYTPSWBRQYMQ-UHFFFAOYSA-N -1 1 368.262 2.847 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000769644605 737549659 /nfs/dbraw/zinc/54/96/59/737549659.db2.gz JOAXFCLUZUEATJ-OAHLLOKOSA-N -1 1 356.447 2.890 20 30 FFEDMM CC(C)Cc1ncc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000772845338 737848043 /nfs/dbraw/zinc/84/80/43/737848043.db2.gz QGHPTSQGDCJFFX-UHFFFAOYSA-N -1 1 368.440 2.562 20 30 FFEDMM Cn1c(=O)sc2cc(/C=C/C(=O)c3cc(C(=O)[O-])ccc3O)ccc21 ZINC000773144131 737875093 /nfs/dbraw/zinc/87/50/93/737875093.db2.gz YNDZHCMYDQAGIB-ZZXKWVIFSA-N -1 1 355.371 2.900 20 30 FFEDMM Cc1cc(C)c2c(c1)OCCC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000920375955 737903511 /nfs/dbraw/zinc/90/35/11/737903511.db2.gz ROAOSCLYZLQPOA-UHFFFAOYSA-N -1 1 355.419 2.529 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1CCCO1 ZINC000788910223 739295281 /nfs/dbraw/zinc/29/52/81/739295281.db2.gz DMEIQIMOTYMRDZ-NXEZZACHSA-N -1 1 352.214 2.592 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(OCC3CC3)cc2)c2ccccc21 ZINC000790154675 739423211 /nfs/dbraw/zinc/42/32/11/739423211.db2.gz UCCNUFBICAGABW-UHFFFAOYSA-N -1 1 355.419 2.548 20 30 FFEDMM Cc1cc(C)n(C2N=NC(=S)N2N=Cc2c([O-])ccc(Cl)c2F)n1 ZINC000790155980 739423341 /nfs/dbraw/zinc/42/33/41/739423341.db2.gz VWGUNKJURWUYPM-UHFFFAOYSA-N -1 1 366.809 2.750 20 30 FFEDMM CCOC(=O)c1nc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c[n-]1 ZINC000793965415 739831768 /nfs/dbraw/zinc/83/17/68/739831768.db2.gz YBOFQVMRMXHMHQ-UHFFFAOYSA-N -1 1 351.284 2.595 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1 ZINC000794692874 739920252 /nfs/dbraw/zinc/92/02/52/739920252.db2.gz YGSBMQRGBNREBD-CSPWOOARSA-N -1 1 365.179 2.686 20 30 FFEDMM N#C[C@@H](C(=O)COC(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000796753407 740179945 /nfs/dbraw/zinc/17/99/45/740179945.db2.gz MAWVXXOYYTXCIJ-QMMMGPOBSA-N -1 1 353.350 2.691 20 30 FFEDMM C=CC[C@@H](CCc1ccccc1)OC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000797564573 740257109 /nfs/dbraw/zinc/25/71/09/740257109.db2.gz KNHYWQBCSHBXTG-HNNXBMFYSA-N -1 1 363.435 2.922 20 30 FFEDMM C=C(Br)COC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000801368825 740614007 /nfs/dbraw/zinc/61/40/07/740614007.db2.gz PJKRLBMPPXHCNH-UHFFFAOYSA-N -1 1 353.172 2.652 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CCOCC1 ZINC000851828192 749691515 /nfs/dbraw/zinc/69/15/15/749691515.db2.gz VXMYMACICGTZIF-CYBMUJFWSA-N -1 1 366.241 2.839 20 30 FFEDMM COc1c(Br)cccc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000588508654 845970422 /nfs/dbraw/zinc/97/04/22/845970422.db2.gz ILYWSQSGVSUWIR-AFNCTOJWSA-N -1 1 365.179 2.686 20 30 FFEDMM C#CCN(CC(=O)[O-])C(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC001602679635 971261425 /nfs/dbraw/zinc/26/14/25/971261425.db2.gz UYQQJPVMSCQDIV-INIZCTEOSA-N -1 1 370.371 2.635 20 30 FFEDMM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cs2)n1C ZINC000137225099 964127272 /nfs/dbraw/zinc/12/72/72/964127272.db2.gz OJGOBTWKYDILNN-LBPRGKRZSA-N -1 1 365.418 2.813 20 30 FFEDMM C=CC[C@H](NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccncc1 ZINC000875298815 1014007674 /nfs/dbraw/zinc/00/76/74/1014007674.db2.gz BMOWSFMUBDHLPJ-BBRMVZONSA-N -1 1 370.375 2.551 20 30 FFEDMM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001271998151 979432172 /nfs/dbraw/zinc/43/21/72/979432172.db2.gz UDUAUCKUESGYPW-ZIAGYGMSSA-N -1 1 368.355 2.803 20 30 FFEDMM N#CCOc1ccc(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000904218189 980215641 /nfs/dbraw/zinc/21/56/41/980215641.db2.gz ZFXJLKSVRDFOGY-UHFFFAOYSA-N -1 1 369.421 2.773 20 30 FFEDMM C=CCCCCCCC[N-]S(=O)(=O)c1nc[nH]c1Br ZINC001212064254 981483657 /nfs/dbraw/zinc/48/36/57/981483657.db2.gz MLXSNENMEJIHCR-UHFFFAOYSA-N -1 1 350.282 2.977 20 30 FFEDMM C=CCn1c(C2CCC2)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908640752 981484459 /nfs/dbraw/zinc/48/44/59/981484459.db2.gz YGBPQHBZRFDTNO-ZDUSSCGKSA-N -1 1 356.430 2.577 20 30 FFEDMM N#Cc1cnn(C(=O)c2cnc3ccc(Oc4ccccc4)cc3c2[O-])c1N ZINC000760808588 984525384 /nfs/dbraw/zinc/52/53/84/984525384.db2.gz BATAATIBPFQINP-UHFFFAOYSA-N -1 1 371.356 2.659 20 30 FFEDMM N#Cc1ccccc1N1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000170646543 985103932 /nfs/dbraw/zinc/10/39/32/985103932.db2.gz MRUBIRCQJFRVQL-UHFFFAOYSA-N -1 1 361.401 2.692 20 30 FFEDMM O=c1[n-]c(=S)[nH]c(Nc2ccc(CO)nc2)c1N=Cc1ccccc1 ZINC001212372315 985594688 /nfs/dbraw/zinc/59/46/88/985594688.db2.gz CIAGUVSGQUOHLP-UFWORHAWSA-N -1 1 353.407 2.852 20 30 FFEDMM C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1CC(=O)[O-] ZINC001599866004 989259107 /nfs/dbraw/zinc/25/91/07/989259107.db2.gz RFUSMNFKOAMBDJ-HUUCEWRRSA-N -1 1 353.422 2.780 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3ccncc3)cc2)c(=O)o1 ZINC000915981316 989719944 /nfs/dbraw/zinc/71/99/44/989719944.db2.gz PZXNGTLEHWMDRS-PDGUBNMISA-N -1 1 363.369 2.889 20 30 FFEDMM NC(=O)c1cc(-c2csc(=NC3CC3)n2N=Cc2ccco2)ccc1[O-] ZINC000916215220 989760124 /nfs/dbraw/zinc/76/01/24/989760124.db2.gz YDXIMPVFBGQNMR-UHFFFAOYSA-N -1 1 368.418 2.559 20 30 FFEDMM COc1cccc([C@]2(C)NC(=O)N(N=Cc3ccc([O-])c(Cl)c3)C2=O)c1 ZINC000921257199 991021035 /nfs/dbraw/zinc/02/10/35/991021035.db2.gz QNAYZKLJXIIWQP-SFHVURJKSA-N -1 1 373.796 2.855 20 30 FFEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000809688779 994582411 /nfs/dbraw/zinc/58/24/11/994582411.db2.gz PKMSPGNJKMJLJH-LRDDRELGSA-N -1 1 359.426 2.639 20 30 FFEDMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809753081 994604351 /nfs/dbraw/zinc/60/43/51/994604351.db2.gz NIBNQJZKPYWMHP-OCCSQVGLSA-N -1 1 359.426 2.639 20 30 FFEDMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809753079 994604761 /nfs/dbraw/zinc/60/47/61/994604761.db2.gz NIBNQJZKPYWMHP-GXTWGEPZSA-N -1 1 359.426 2.639 20 30 FFEDMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1 ZINC000747606855 994800546 /nfs/dbraw/zinc/80/05/46/994800546.db2.gz XVXJTGIYLNIZRY-YFHOEESVSA-N -1 1 372.402 2.576 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1CN1CCCC1=O ZINC001116113066 1032132432 /nfs/dbraw/zinc/13/24/32/1032132432.db2.gz PNERVRSIFSGLDE-UHFFFAOYSA-N -1 1 369.446 2.790 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cccc(-c3ccccn3)c2)c2ccccc21 ZINC000747753679 995299490 /nfs/dbraw/zinc/29/94/90/995299490.db2.gz SQICUIACZWRQLN-UHFFFAOYSA-N -1 1 362.414 2.821 20 30 FFEDMM C[C@H](Oc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)cc1)C(=O)[O-] ZINC001593614611 995826007 /nfs/dbraw/zinc/82/60/07/995826007.db2.gz BYUAXNXXXHDFSC-INIZCTEOSA-N -1 1 365.433 2.991 20 30 FFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000731546701 998018216 /nfs/dbraw/zinc/01/82/16/998018216.db2.gz QIALFRLHDNLFHD-HNNXBMFYSA-N -1 1 357.297 2.704 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2c(F)cc([O-])cc2F)C[C@H]1C#N ZINC001144558980 998650562 /nfs/dbraw/zinc/65/05/62/998650562.db2.gz HVPHGPROLWPMLA-LLVKDONJSA-N -1 1 353.369 2.615 20 30 FFEDMM COc1ccc(Cl)cc1C(CC(C)C)=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000735971365 999526882 /nfs/dbraw/zinc/52/68/82/999526882.db2.gz APZQQYGEKFZSPN-UHFFFAOYSA-N -1 1 374.832 2.956 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(N2CCOC2=O)c1C ZINC000743267914 999809851 /nfs/dbraw/zinc/80/98/51/999809851.db2.gz NVDJHGGAHQZPAB-UHFFFAOYSA-N -1 1 371.418 2.933 20 30 FFEDMM Cc1cc(C=Nn2c(=O)cn[n-]c2=S)c(C)n1-c1ccc2c(c1)CCC2 ZINC000766482227 999997104 /nfs/dbraw/zinc/99/71/04/999997104.db2.gz GSRCSSQXDLDNCT-UHFFFAOYSA-N -1 1 365.462 2.705 20 30 FFEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000768781513 1000346724 /nfs/dbraw/zinc/34/67/24/1000346724.db2.gz SBCRWVMIJGAOJF-CYBMUJFWSA-N -1 1 365.780 2.882 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000769646648 1000568378 /nfs/dbraw/zinc/56/83/78/1000568378.db2.gz XIUSTEICFVZDCR-AWEZNQCLSA-N -1 1 372.446 2.590 20 30 FFEDMM C=C1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC001147024829 1000813809 /nfs/dbraw/zinc/81/38/09/1000813809.db2.gz NGWAJTNOEJUBKH-UHFFFAOYSA-N -1 1 364.373 2.778 20 30 FFEDMM CN1CCN(c2ccc(/C=C/C(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)CC1 ZINC000771527302 1001136914 /nfs/dbraw/zinc/13/69/14/1001136914.db2.gz HBRVMRDFVSRMDG-XBXARRHUSA-N -1 1 367.405 2.948 20 30 FFEDMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNc1ncc(C#N)cc1Cl ZINC001054676390 1016475220 /nfs/dbraw/zinc/47/52/20/1016475220.db2.gz DANXDZHDASQGET-DGCLKSJQSA-N -1 1 371.828 2.527 20 30 FFEDMM C#CCCC1(CCNC(=O)c2cc([O-])c(Br)c(O)c2)N=N1 ZINC001148998858 1001242733 /nfs/dbraw/zinc/24/27/33/1001242733.db2.gz PNLMNWAFOBPWCO-UHFFFAOYSA-N -1 1 352.188 2.556 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)C(C)(C)C1 ZINC000785597381 1001456446 /nfs/dbraw/zinc/45/64/46/1001456446.db2.gz MACOJYZHDMMGOL-UHFFFAOYSA-N -1 1 359.426 2.735 20 30 FFEDMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000785613104 1001462517 /nfs/dbraw/zinc/46/25/17/1001462517.db2.gz LZWRZZNNKRDCSW-IUODEOHRSA-N -1 1 359.426 2.782 20 30 FFEDMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785628131 1001464384 /nfs/dbraw/zinc/46/43/84/1001464384.db2.gz HWQDNDFWQSSZPK-SWLSCSKDSA-N -1 1 359.426 2.639 20 30 FFEDMM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CCCN1C(=O)OC(C)(C)C ZINC000785634589 1001465118 /nfs/dbraw/zinc/46/51/18/1001465118.db2.gz KUNFTZXOJUHJFK-IUODEOHRSA-N -1 1 359.426 2.782 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785638367 1001465527 /nfs/dbraw/zinc/46/55/27/1001465527.db2.gz RTWYWELDEBKADP-HUUCEWRRSA-N -1 1 359.426 2.830 20 30 FFEDMM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785635461 1001465560 /nfs/dbraw/zinc/46/55/60/1001465560.db2.gz STFXLYCHNOXWQC-WFASDCNBSA-N -1 1 359.426 2.639 20 30 FFEDMM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC001184340865 1002575328 /nfs/dbraw/zinc/57/53/28/1002575328.db2.gz RRFOQUKSRHXXDB-GOSISDBHSA-N -1 1 370.449 2.831 20 30 FFEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000773056220 1002584730 /nfs/dbraw/zinc/58/47/30/1002584730.db2.gz VYYAEYWCYPWGFU-UHFFFAOYSA-N -1 1 362.298 2.672 20 30 FFEDMM Cc1cc(-c2nc(C(=O)[N-]c3n[nH]c(-c4cccc(C#N)c4)n3)co2)ccn1 ZINC001184481828 1002631192 /nfs/dbraw/zinc/63/11/92/1002631192.db2.gz CTLDBRMKWHLLRZ-UHFFFAOYSA-N -1 1 371.360 2.954 20 30 FFEDMM N#Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)c(-c2ccccc2)nc1C#N ZINC001170315874 1003106107 /nfs/dbraw/zinc/10/61/07/1003106107.db2.gz IMUDTKAXUOOGHG-UHFFFAOYSA-N -1 1 371.356 2.593 20 30 FFEDMM CC(C)(C)n1cc(C#N)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186143774 1003197315 /nfs/dbraw/zinc/19/73/15/1003197315.db2.gz SFLJFXVWAPJYEK-UHFFFAOYSA-N -1 1 365.386 2.753 20 30 FFEDMM CCCC[C@H](NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)C(N)=O ZINC001196330636 1003744059 /nfs/dbraw/zinc/74/40/59/1003744059.db2.gz YBFKHBNCKYBGCZ-SFHVURJKSA-N -1 1 351.406 2.705 20 30 FFEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196721361 1003928602 /nfs/dbraw/zinc/92/86/02/1003928602.db2.gz JBNGPYOULWSWSI-UHFFFAOYSA-N -1 1 366.468 2.800 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC001197110523 1004088515 /nfs/dbraw/zinc/08/85/15/1004088515.db2.gz UJEAHJWUJTZMOK-CMDGGOBGSA-N -1 1 356.403 2.854 20 30 FFEDMM COc1ccc(-n2nc(C(C)(C)C)cc2[N-]S(=O)(=O)[C@@H](C)C#N)cc1 ZINC001193106298 1004376147 /nfs/dbraw/zinc/37/61/47/1004376147.db2.gz FJFITOGJFYQUGL-LBPRGKRZSA-N -1 1 362.455 2.832 20 30 FFEDMM C=C(C)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C(=O)OCC ZINC001194186678 1004675572 /nfs/dbraw/zinc/67/55/72/1004675572.db2.gz IYYIUGNOOYFTNF-STQMWFEESA-N -1 1 353.431 2.629 20 30 FFEDMM COc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1C#N ZINC000747446520 1004740148 /nfs/dbraw/zinc/74/01/48/1004740148.db2.gz AMKAOGJDWPVZKQ-UHFFFAOYSA-N -1 1 354.410 2.598 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC)c2)c1 ZINC000808090042 1004751228 /nfs/dbraw/zinc/75/12/28/1004751228.db2.gz WUUMAJFVGXBWPP-UHFFFAOYSA-N -1 1 372.446 2.591 20 30 FFEDMM C#CCN1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC001194691501 1004793386 /nfs/dbraw/zinc/79/33/86/1004793386.db2.gz PYYVSOXOUBLRNQ-JTQLQIEISA-N -1 1 365.257 2.508 20 30 FFEDMM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1cc([O-])cnc1Cl)CCO2 ZINC001195306004 1004937536 /nfs/dbraw/zinc/93/75/36/1004937536.db2.gz SEGFZFYQCPVBLU-FZKQIMNGSA-N -1 1 366.845 2.655 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1ccc(Cl)c(C(F)(F)F)n1 ZINC001195671657 1005011972 /nfs/dbraw/zinc/01/19/72/1005011972.db2.gz XKXXIBJGIGAWPI-UHFFFAOYSA-N -1 1 373.678 2.689 20 30 FFEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1csc(NC(C)C)n1 ZINC001195674091 1005012077 /nfs/dbraw/zinc/01/20/77/1005012077.db2.gz ZVMIXMJPFXFAJU-UHFFFAOYSA-N -1 1 350.425 2.935 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C3(C)C)cc1C#N ZINC001201322650 1005199715 /nfs/dbraw/zinc/19/97/15/1005199715.db2.gz QGBCOSHJHNDDOQ-UHFFFAOYSA-N -1 1 369.446 2.922 20 30 FFEDMM COC(=O)c1cc(F)cc(F)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201323701 1005200149 /nfs/dbraw/zinc/20/01/49/1005200149.db2.gz MESZVHAOGZCGEH-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM C=CCCC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001489970662 1005611038 /nfs/dbraw/zinc/61/10/38/1005611038.db2.gz YCKBSBZCTBOSQT-HZPDHXFCSA-N -1 1 359.470 2.891 20 30 FFEDMM CCOC(=O)c1nc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)[n-]c1Cl ZINC001133881934 1006013490 /nfs/dbraw/zinc/01/34/90/1006013490.db2.gz PCOPCVGXZLNFSW-VIFPVBQESA-N -1 1 362.773 2.517 20 30 FFEDMM C#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC001187581037 1006162627 /nfs/dbraw/zinc/16/26/27/1006162627.db2.gz GRECUQUQYGJKHX-UHFFFAOYSA-N -1 1 353.758 2.959 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)cc1 ZINC001116189206 1032179158 /nfs/dbraw/zinc/17/91/58/1032179158.db2.gz FWLCZEXCFPWAHW-UHFFFAOYSA-N -1 1 371.418 2.506 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C12CCC2 ZINC000855043042 1007084256 /nfs/dbraw/zinc/08/42/56/1007084256.db2.gz URQUDAHCHIPPOH-JKSUJKDBSA-N -1 1 371.437 2.830 20 30 FFEDMM COc1cccc(-c2cc(C(=O)N([O-])C(=N)c3ccccc3N)no2)c1 ZINC001189984626 1007411389 /nfs/dbraw/zinc/41/13/89/1007411389.db2.gz RPDPKLNRRRQEKB-UHFFFAOYSA-N -1 1 352.350 2.789 20 30 FFEDMM N#Cc1ccc2c(c1)CCN(C(=O)c1cnc(-c3ccccc3)[n-]c1=O)C2 ZINC001190260290 1007545614 /nfs/dbraw/zinc/54/56/14/1007545614.db2.gz BRYGVRFHLBFGNH-UHFFFAOYSA-N -1 1 356.385 2.919 20 30 FFEDMM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190615768 1007703059 /nfs/dbraw/zinc/70/30/59/1007703059.db2.gz BILRPTIYFAVIJX-UHFFFAOYSA-N -1 1 353.762 2.749 20 30 FFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cnccc2C(F)(F)F)c1 ZINC001190611678 1007720292 /nfs/dbraw/zinc/72/02/92/1007720292.db2.gz SXRNWBTZICVYKS-UHFFFAOYSA-N -1 1 359.304 2.590 20 30 FFEDMM CCOc1ccc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001190795032 1007786727 /nfs/dbraw/zinc/78/67/27/1007786727.db2.gz RLOXCCLIWUCAIH-UHFFFAOYSA-N -1 1 369.299 2.945 20 30 FFEDMM CCc1cc2c(COC(=O)c3cnccc3C#N)cc(=O)oc2cc1[O-] ZINC000805718366 1008032131 /nfs/dbraw/zinc/03/21/31/1008032131.db2.gz RBOHAELXQWBLMO-UHFFFAOYSA-N -1 1 350.330 2.685 20 30 FFEDMM COc1cnc(C(C)(C)NC(=O)C[C@H](CC#N)c2ccccc2)[n-]c1=O ZINC001178686524 1009085628 /nfs/dbraw/zinc/08/56/28/1009085628.db2.gz GBSZJJJEWHTZBD-AWEZNQCLSA-N -1 1 354.410 2.630 20 30 FFEDMM C=CCC[C@@H](C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1)c1ccccc1 ZINC001178894290 1009171014 /nfs/dbraw/zinc/17/10/14/1009171014.db2.gz SPDFMTYYHPKISS-MRXNPFEDSA-N -1 1 355.438 2.947 20 30 FFEDMM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC000863028320 1010083335 /nfs/dbraw/zinc/08/33/35/1010083335.db2.gz VYGNRHCLORZQSS-DOMZBBRYSA-N -1 1 359.426 2.782 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)[C@@H](C)Cc2ccc(C#N)cc2)[n-]c1=O ZINC000889787035 1010117119 /nfs/dbraw/zinc/11/71/19/1010117119.db2.gz PJEYNKBGCATBIT-XJKSGUPXSA-N -1 1 366.421 2.605 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)[C@H](C)Cc2ccc(C#N)cc2)[n-]c1=O ZINC000889787034 1010118137 /nfs/dbraw/zinc/11/81/37/1010118137.db2.gz PJEYNKBGCATBIT-CZUORRHYSA-N -1 1 366.421 2.605 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)cc1 ZINC000774050137 1010440196 /nfs/dbraw/zinc/44/01/96/1010440196.db2.gz DFTORWHKSZGBQQ-AWEZNQCLSA-N -1 1 371.418 2.898 20 30 FFEDMM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC001274881055 1011723570 /nfs/dbraw/zinc/72/35/70/1011723570.db2.gz ABEZVMXZCBQOKJ-OAHLLOKOSA-N -1 1 362.857 2.980 20 30 FFEDMM N#CCCCN1CC[C@@]2(CCCN2C(=O)c2ccc(Cl)cc2[O-])C1=O ZINC001274883936 1011727033 /nfs/dbraw/zinc/72/70/33/1011727033.db2.gz WXUKGANRKNKTKI-SFHVURJKSA-N -1 1 361.829 2.556 20 30 FFEDMM C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000828490452 1032723612 /nfs/dbraw/zinc/72/36/12/1032723612.db2.gz FVHYWPWGZVSCHX-UPJWGTAASA-N -1 1 373.423 2.871 20 30 FFEDMM COc1ccc(-n2cc([O-])c(C(=O)OCc3ccc(F)c(C#N)c3)n2)cc1 ZINC000801363070 1018887728 /nfs/dbraw/zinc/88/77/28/1018887728.db2.gz NEZDKVYLCWTECA-UHFFFAOYSA-N -1 1 367.336 2.954 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1 ZINC000901999894 1019705910 /nfs/dbraw/zinc/70/59/10/1019705910.db2.gz UWYGCGLMOYXSOS-UHFFFAOYSA-N -1 1 366.442 2.768 20 30 FFEDMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Nc2ccc(CCC#N)cc2)C1 ZINC000932559391 1020833709 /nfs/dbraw/zinc/83/37/09/1020833709.db2.gz HIHXEXXZYTYEBH-MRXNPFEDSA-N -1 1 368.359 2.818 20 30 FFEDMM N#Cc1ccc(N2CCC[C@@H](OC(=O)c3ccc([O-])cc3F)C2=O)cc1 ZINC000778840810 1022427783 /nfs/dbraw/zinc/42/77/83/1022427783.db2.gz IBFZAWLNYOHWTG-QGZVFWFLSA-N -1 1 354.337 2.755 20 30 FFEDMM Cc1nc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)ccc1C#N ZINC001118983303 1022504172 /nfs/dbraw/zinc/50/41/72/1022504172.db2.gz WNSYANCOTCUZMY-UHFFFAOYSA-N -1 1 370.840 2.579 20 30 FFEDMM O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(O)c(OC2CC(O)C2)c1 ZINC001218261907 1033073360 /nfs/dbraw/zinc/07/33/60/1033073360.db2.gz TVZDIDLCJGYHPC-LFYBBSHMSA-N -1 1 354.358 2.659 20 30 FFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC001119349179 1022702200 /nfs/dbraw/zinc/70/22/00/1022702200.db2.gz DUTRKQFAYOAWKB-SNVBAGLBSA-N -1 1 352.362 2.885 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2c(cccc2OC)C1 ZINC001122491065 1023302077 /nfs/dbraw/zinc/30/20/77/1023302077.db2.gz DMHDBRMONTWFED-UHFFFAOYSA-N -1 1 366.425 2.521 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC001122491010 1023302397 /nfs/dbraw/zinc/30/23/97/1023302397.db2.gz BZQSYPBPCOWVBS-MRXNPFEDSA-N -1 1 366.425 2.528 20 30 FFEDMM COc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2C[C@H](O)C2)c1 ZINC001218361755 1033123968 /nfs/dbraw/zinc/12/39/68/1033123968.db2.gz GMZBBQJWOSUQOG-NIMOBJSISA-N -1 1 356.374 2.905 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)Cc1ccc(OC)cc1 ZINC001122595382 1023358014 /nfs/dbraw/zinc/35/80/14/1023358014.db2.gz KQQWCKZNCITCQG-UHFFFAOYSA-N -1 1 354.414 2.595 20 30 FFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000757467192 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364.203 2.789 20 30 FFEDMM CCOC(=O)c1nnc([C@H](C)Nc2cc(Br)ccc2C#N)[n-]1 ZINC001163695459 1029027999 /nfs/dbraw/zinc/02/79/99/1029027999.db2.gz ASZJGODGEPAHQT-QMMMGPOBSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@H](C)Nc2cc(Br)ccc2C#N)n1 ZINC001163695459 1029028011 /nfs/dbraw/zinc/02/80/11/1029028011.db2.gz ASZJGODGEPAHQT-QMMMGPOBSA-N -1 1 364.203 2.789 20 30 FFEDMM N#Cc1c[nH]c2nc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)ccc12 ZINC001157157340 1029484774 /nfs/dbraw/zinc/48/47/74/1029484774.db2.gz NKHRKVSAQFHALG-UHFFFAOYSA-N -1 1 354.306 2.519 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)C(=O)c1ccco1 ZINC001142279035 1030256664 /nfs/dbraw/zinc/25/66/64/1030256664.db2.gz NKFYVJXCOJELMY-GIJQJNRQSA-N -1 1 368.374 2.636 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000783831141 1030296608 /nfs/dbraw/zinc/29/66/08/1030296608.db2.gz XFQWTJGTEJUTBJ-HUUCEWRRSA-N -1 1 359.426 2.830 20 30 FFEDMM COC(=O)c1ncc2n1CCC[C@H]2O/C(=N\[O-])c1cc(F)ccc1F 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/nfs/dbraw/zinc/48/02/02/1035480202.db2.gz PDIXNIIBYOIZNI-UHFFFAOYSA-N -1 1 373.434 2.949 20 30 FFEDMM C[Si](C)(C)C#C[C@H](Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1)c1ccccc1 ZINC001227433706 1035551147 /nfs/dbraw/zinc/55/11/47/1035551147.db2.gz GUJCXFWPXSWPPF-LBPRGKRZSA-N -1 1 354.442 2.765 20 30 FFEDMM C[Si](C)(C)C#C[C@H](Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1)c1ccccc1 ZINC001227433706 1035551157 /nfs/dbraw/zinc/55/11/57/1035551157.db2.gz GUJCXFWPXSWPPF-LBPRGKRZSA-N -1 1 354.442 2.765 20 30 FFEDMM C[Si](C)(C)C#C[C@H](Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O)c1ccccc1 ZINC001227433706 1035551163 /nfs/dbraw/zinc/55/11/63/1035551163.db2.gz GUJCXFWPXSWPPF-LBPRGKRZSA-N -1 1 354.442 2.765 20 30 FFEDMM O=c1[nH]c2nc(O[C@@H](C#Cc3ccccc3)c3ccccc3)[n-]c2c(=O)[nH]1 ZINC001227432992 1035552053 /nfs/dbraw/zinc/55/20/53/1035552053.db2.gz VPQVUOJKMHJZAH-HNNXBMFYSA-N -1 1 358.357 2.936 20 30 FFEDMM O=c1[nH]c2nc(O[C@@H](C#Cc3ccccc3)c3ccccc3)nc-2c([O-])[nH]1 ZINC001227432992 1035552059 /nfs/dbraw/zinc/55/20/59/1035552059.db2.gz VPQVUOJKMHJZAH-HNNXBMFYSA-N -1 1 358.357 2.936 20 30 FFEDMM O=c1[nH]c2[n-]c(O[C@@H](C#Cc3ccccc3)c3ccccc3)nc2c(=O)[nH]1 ZINC001227432992 1035552071 /nfs/dbraw/zinc/55/20/71/1035552071.db2.gz VPQVUOJKMHJZAH-HNNXBMFYSA-N -1 1 358.357 2.936 20 30 FFEDMM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228140120 1035958421 /nfs/dbraw/zinc/95/84/21/1035958421.db2.gz GITQDBLUEMUHND-JTQLQIEISA-N -1 1 369.255 2.569 20 30 FFEDMM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1ccc(F)c([O-])c1F ZINC001232932805 1036165378 /nfs/dbraw/zinc/16/53/78/1036165378.db2.gz CWFSXPWMWMIEKI-HNNXBMFYSA-N -1 1 364.396 2.584 20 30 FFEDMM C=CCOC(=O)N1CCC2(CN(Cc3ccc([O-])c(F)c3F)C2)CC1 ZINC001140889912 1036388413 /nfs/dbraw/zinc/38/84/13/1036388413.db2.gz PRDKBMHWRFQRRT-UHFFFAOYSA-N -1 1 352.381 2.891 20 30 FFEDMM COC(=O)[C@@H](C)Oc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1O ZINC001229209931 1036554437 /nfs/dbraw/zinc/55/44/37/1036554437.db2.gz ZHZZTIGCMKUFOL-VLWLMIQISA-N -1 1 356.330 2.654 20 30 FFEDMM N#CCCN1CC(Oc2cc([O-])ccc2C(=O)/C=C/c2ccc(O)cc2)C1 ZINC001229271225 1036592243 /nfs/dbraw/zinc/59/22/43/1036592243.db2.gz VYVODSTWPBSQGS-RUDMXATFSA-N -1 1 364.401 2.971 20 30 FFEDMM C/C(=N\[O-])c1ccccc1OC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001229737174 1036861268 /nfs/dbraw/zinc/86/12/68/1036861268.db2.gz QVQIBFOBCZGGHV-NFECSFHCSA-N -1 1 350.415 2.900 20 30 FFEDMM C#CCN1CC[C@]2(CCN(Cc3ccc(Cl)c([O-])c3Cl)C2)C1=O ZINC001277829515 1036908746 /nfs/dbraw/zinc/90/87/46/1036908746.db2.gz FPSXKJXJFYVFFZ-KRWDZBQOSA-N -1 1 353.249 2.757 20 30 FFEDMM Cc1nc(C(N)=O)c(O[C@H](C#C[Si](C)(C)C)c2ccccc2)c(=O)[n-]1 ZINC001234468690 1037049215 /nfs/dbraw/zinc/04/92/15/1037049215.db2.gz BBRVPPFNOVJWHG-CQSZACIVSA-N -1 1 355.470 2.590 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](COc3ccccc3C=N[O-])[C@H]2C1 ZINC001234822416 1037190879 /nfs/dbraw/zinc/19/08/79/1037190879.db2.gz MTSLUWXYSGAJQI-ZMSDIMECSA-N -1 1 362.426 2.755 20 30 FFEDMM COc1ncc(-c2nccc3ccc(C#N)cc32)cc1[N-]S(C)(=O)=O ZINC001244789396 1038777438 /nfs/dbraw/zinc/77/74/38/1038777438.db2.gz FLVONMKCIGTZMM-UHFFFAOYSA-N -1 1 354.391 2.549 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1c(O)cccc1Br ZINC001258273960 1039291257 /nfs/dbraw/zinc/29/12/57/1039291257.db2.gz VWFRPWAXYLTPBF-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258273357 1039291371 /nfs/dbraw/zinc/29/13/71/1039291371.db2.gz GPWMOXYPNZJUPB-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cnc1C#N ZINC001210209419 1039430171 /nfs/dbraw/zinc/43/01/71/1039430171.db2.gz SPDHVBHNZYEQFI-UHFFFAOYSA-N -1 1 357.222 2.952 20 30 FFEDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(F)c(C#N)c1F)C(=O)C2 ZINC001258972814 1039630527 /nfs/dbraw/zinc/63/05/27/1039630527.db2.gz NAHFXFTZANIGMX-BTDLBPIBSA-N -1 1 368.405 2.974 20 30 FFEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1OC ZINC001259417483 1039987190 /nfs/dbraw/zinc/98/71/90/1039987190.db2.gz SNBSTHPXCKKZIN-UHFFFAOYSA-N -1 1 350.371 2.824 20 30 FFEDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)ccc1F ZINC001259418765 1039987422 /nfs/dbraw/zinc/98/74/22/1039987422.db2.gz QBSDZELJKFKVKF-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM COC(=O)/C=C/c1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259419839 1039990421 /nfs/dbraw/zinc/99/04/21/1039990421.db2.gz VZDNXHXPTJCJOY-VMPITWQZSA-N -1 1 360.366 2.684 20 30 FFEDMM Cn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c(C#N)cc2Cl)cn1 ZINC001259827550 1040227511 /nfs/dbraw/zinc/22/75/11/1040227511.db2.gz FAISIJJMYLDUOT-UHFFFAOYSA-N -1 1 364.736 2.765 20 30 FFEDMM CCOC(=O)COc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001253672127 1040310743 /nfs/dbraw/zinc/31/07/43/1040310743.db2.gz WUYLIWGXXNTWQN-UHFFFAOYSA-N -1 1 372.377 2.781 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cnccc2C(F)(F)F)c(F)c1 ZINC001213182090 1040313074 /nfs/dbraw/zinc/31/30/74/1040313074.db2.gz ZKSZOYJVUDVANC-UHFFFAOYSA-N -1 1 359.304 2.590 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)[N-]c2cnccc2OC(F)(F)F)cc1 ZINC001260039329 1040369925 /nfs/dbraw/zinc/36/99/25/1040369925.db2.gz XSYPZBHCTMQQIH-UHFFFAOYSA-N -1 1 357.313 2.794 20 30 FFEDMM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1F ZINC001260045308 1040376983 /nfs/dbraw/zinc/37/69/83/1040376983.db2.gz LUIUJNJYLMCCGT-UHFFFAOYSA-N -1 1 362.382 2.816 20 30 FFEDMM C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC001260159996 1040435859 /nfs/dbraw/zinc/43/58/59/1040435859.db2.gz IFQHDJYUJVVQDH-GFCCVEGCSA-N -1 1 355.419 2.633 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(F)c1F ZINC001260388120 1040571652 /nfs/dbraw/zinc/57/16/52/1040571652.db2.gz SKZASJPGVOGHOP-UHFFFAOYSA-N -1 1 352.347 2.642 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001262961563 1041991449 /nfs/dbraw/zinc/99/14/49/1041991449.db2.gz MSRUZIGCOARAKM-UHFFFAOYSA-N -1 1 372.473 2.878 20 30 FFEDMM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccn(-c2ccncc2)n1)c1ccccc1 ZINC001263472438 1042332029 /nfs/dbraw/zinc/33/20/29/1042332029.db2.gz FEBNFUMZARCIAD-MSOLQXFVSA-N -1 1 373.416 2.857 20 30 FFEDMM C#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC001309518068 1043417730 /nfs/dbraw/zinc/41/77/30/1043417730.db2.gz FCQIIYPXXHOSKG-UHFFFAOYSA-N -1 1 368.773 2.847 20 30 FFEDMM C=CCOC(=O)N1CCC2(CN(Cc3ccc(F)cc3C(=O)[O-])C2)CC1 ZINC001238238065 1043620597 /nfs/dbraw/zinc/62/05/97/1043620597.db2.gz NIFYBKHIWXOJDW-UHFFFAOYSA-N -1 1 362.401 2.744 20 30 FFEDMM COCCn1ncc2ccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cc21 ZINC001318966876 1044961659 /nfs/dbraw/zinc/96/16/59/1044961659.db2.gz ZJXGKQSBYZGNJB-UHFFFAOYSA-N -1 1 370.434 2.550 20 30 FFEDMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC001539378931 1070626637 /nfs/dbraw/zinc/62/66/37/1070626637.db2.gz HCDNVUSDLJNNIE-LJQANCHMSA-N -1 1 363.417 2.536 20 30 FFEDMM Cn1c(C=NNc2cc(Cl)ccn2)c(Br)cc1C(=O)[O-] ZINC001319879403 1045291807 /nfs/dbraw/zinc/29/18/07/1045291807.db2.gz CYSREOSDQDTUSG-UHFFFAOYSA-N -1 1 357.595 2.980 20 30 FFEDMM CCOc1ccc(N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC001320923138 1045494427 /nfs/dbraw/zinc/49/44/27/1045494427.db2.gz IAKOXDAZHVYCNF-UHFFFAOYSA-N -1 1 351.406 2.625 20 30 FFEDMM Cc1nc(C(C)(C)C)sc1C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001321413499 1045657707 /nfs/dbraw/zinc/65/77/07/1045657707.db2.gz MXULOAAIXWGRDT-UHFFFAOYSA-N -1 1 363.464 2.628 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001292349294 1049299864 /nfs/dbraw/zinc/29/98/64/1049299864.db2.gz OLNKISLUNJHUPB-JHVJFLLYSA-N -1 1 371.481 2.748 20 30 FFEDMM CSc1ncc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c(=O)[n-]1 ZINC001296986003 1050110389 /nfs/dbraw/zinc/11/03/89/1050110389.db2.gz BPWIWAMCKFNNPS-UHFFFAOYSA-N -1 1 370.312 2.927 20 30 FFEDMM N#C[C@H]1CCCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2ccccc2)C1 ZINC001342189997 1050781877 /nfs/dbraw/zinc/78/18/77/1050781877.db2.gz PGRYIXSLZRKDBF-CYBMUJFWSA-N -1 1 368.832 2.505 20 30 FFEDMM CNC(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC001342578213 1051184011 /nfs/dbraw/zinc/18/40/11/1051184011.db2.gz AMKZXHVJEDMDJS-SNVBAGLBSA-N -1 1 369.331 2.676 20 30 FFEDMM CC(C)Cn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCO[C@@H](C#N)C1 ZINC001342895857 1051506852 /nfs/dbraw/zinc/50/68/52/1051506852.db2.gz SWZJSTZGYPHVMN-ZDUSSCGKSA-N -1 1 361.833 2.689 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)Cc1ccc(OC)c(F)c1 ZINC001345424686 1052439094 /nfs/dbraw/zinc/43/90/94/1052439094.db2.gz VFQBIDJBELGNFD-UHFFFAOYSA-N -1 1 372.404 2.734 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001356063038 1055254947 /nfs/dbraw/zinc/25/49/47/1055254947.db2.gz AZCFXJGKRQYYAF-PHIMTYICSA-N -1 1 363.874 2.684 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2ccccc2[C@@H](C)C1 ZINC001339689928 1056711114 /nfs/dbraw/zinc/71/11/14/1056711114.db2.gz JPLXUVBXOZNLGL-ZDUSSCGKSA-N -1 1 350.426 2.726 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001520433716 1059684286 /nfs/dbraw/zinc/68/42/86/1059684286.db2.gz TWENGFXQAXEHNP-DZGCQCFKSA-N -1 1 350.426 2.942 20 30 FFEDMM Cn1ccnc1C(C#N)=C([O-])c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001515834609 1059828446 /nfs/dbraw/zinc/82/84/46/1059828446.db2.gz DDASIULMJULPFC-GFCCVEGCSA-N -1 1 367.359 2.863 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1[O-] ZINC001457379799 1060358881 /nfs/dbraw/zinc/35/88/81/1060358881.db2.gz AJGUUYTWZIGLQP-OXQOHEQNSA-N -1 1 350.374 2.677 20 30 FFEDMM N#Cc1c(F)cccc1S(=O)(=O)[N-]CC(F)(F)c1cccc(F)c1 ZINC001475472044 1061104985 /nfs/dbraw/zinc/10/49/85/1061104985.db2.gz HWCXATFXDMQPIA-UHFFFAOYSA-N -1 1 358.316 2.907 20 30 FFEDMM N#CC1(CNC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CCOCC1 ZINC001472339509 1065022204 /nfs/dbraw/zinc/02/22/04/1065022204.db2.gz FHQYMQNNMPRCCR-UHFFFAOYSA-N -1 1 354.362 2.515 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NCc2ccc([O-])c(F)c2F)C1 ZINC001474424854 1065518591 /nfs/dbraw/zinc/51/85/91/1065518591.db2.gz RRGJUFRVERHKAI-NEPJUHHUSA-N -1 1 353.369 2.519 20 30 FFEDMM CCCCCCN(O)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001577506163 1078370570 /nfs/dbraw/zinc/37/05/70/1078370570.db2.gz SQXJZQFRGFOIEE-UHFFFAOYSA-N -1 1 358.402 2.971 20 30 FFEDMM N#Cc1[n-]c(NC(=O)c2cc3cccc(Cl)c3s2)nc1-c1nn[nH]n1 ZINC001581860863 1079008755 /nfs/dbraw/zinc/00/87/55/1079008755.db2.gz WZGJMWPQFHLPIT-UHFFFAOYSA-N -1 1 370.785 2.582 20 30 FFEDMM N#Cc1cc(F)c(NCc2ccnc(-c3nnn[n-]3)c2)cc1Br ZINC001581866396 1079010532 /nfs/dbraw/zinc/01/05/32/1079010532.db2.gz ADWAUDHHRDDUOP-UHFFFAOYSA-N -1 1 374.177 2.647 20 30 FFEDMM N#Cc1cc(F)c(NCc2ccnc(-c3nn[n-]n3)c2)cc1Br ZINC001581866396 1079010536 /nfs/dbraw/zinc/01/05/36/1079010536.db2.gz ADWAUDHHRDDUOP-UHFFFAOYSA-N -1 1 374.177 2.647 20 30 FFEDMM COc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1C#N ZINC001559025585 1076117091 /nfs/dbraw/zinc/11/70/91/1076117091.db2.gz CIJVQYKUQUCFID-UHFFFAOYSA-N -1 1 365.393 2.503 20 30 FFEDMM O=C(c1cc(Cl)ccc1[O-])N(O)CCCN1C(=O)c2ccccc2C1=O ZINC001559032686 1076117701 /nfs/dbraw/zinc/11/77/01/1076117701.db2.gz FCPHYNTWTMRLAF-UHFFFAOYSA-N -1 1 374.780 2.563 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2occc2Br)c(F)c1 ZINC001561229888 1076349102 /nfs/dbraw/zinc/34/91/02/1076349102.db2.gz LTGNZDOTTTUXGV-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM N#Cc1ccc(OC2CN(C(=O)c3c([O-])cnc4c(F)cccc43)C2)cc1 ZINC001567385303 1077022581 /nfs/dbraw/zinc/02/25/81/1077022581.db2.gz FYUBMEUZKQNQSR-UHFFFAOYSA-N -1 1 363.348 2.855 20 30 FFEDMM Cn1cc(CNC(=O)c2cc(F)ccc2[O-])c(-c2ccc(C#N)cc2)n1 ZINC001567483244 1077031467 /nfs/dbraw/zinc/03/14/67/1077031467.db2.gz LSBLBQVPIYRFBB-UHFFFAOYSA-N -1 1 350.353 2.733 20 30 FFEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC001586270832 1079586997 /nfs/dbraw/zinc/58/69/97/1079586997.db2.gz MMCAQXZOJZVPHN-CQSZACIVSA-N -1 1 367.434 2.629 20 30 FFEDMM C=C[C@@H](CC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588519270 1080071344 /nfs/dbraw/zinc/07/13/44/1080071344.db2.gz WPUCOSUPCDEVND-LBPRGKRZSA-N -1 1 350.382 2.569 20 30 FFEDMM C=CCOc1ccc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001588690146 1080156573 /nfs/dbraw/zinc/15/65/73/1080156573.db2.gz UVNJKICPXLDAJW-UHFFFAOYSA-N -1 1 353.357 2.501 20 30 FFEDMM C=CCOc1ccc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001588690146 1080156584 /nfs/dbraw/zinc/15/65/84/1080156584.db2.gz UVNJKICPXLDAJW-UHFFFAOYSA-N -1 1 353.357 2.501 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001588703365 1080161930 /nfs/dbraw/zinc/16/19/30/1080161930.db2.gz ANHFIHSPNZAEGU-CQSZACIVSA-N -1 1 366.429 2.673 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001588703365 1080161936 /nfs/dbraw/zinc/16/19/36/1080161936.db2.gz ANHFIHSPNZAEGU-CQSZACIVSA-N -1 1 366.429 2.673 20 30 FFEDMM C=CC[C@H](SCCN1CCN(c2cccc(OC)c2)CC1)C(=O)[O-] ZINC001588758861 1080183064 /nfs/dbraw/zinc/18/30/64/1080183064.db2.gz KWKXUDYHZMLLCX-KRWDZBQOSA-N -1 1 350.484 2.580 20 30 FFEDMM CC(C)(CNc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(F)cc1Cl ZINC001589292224 1080467217 /nfs/dbraw/zinc/46/72/17/1080467217.db2.gz JIOVWVFLOAFDSZ-UHFFFAOYSA-N -1 1 372.795 2.711 20 30 FFEDMM C[C@@H](CCCC#C[Si](C)(C)C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589804623 1080761626 /nfs/dbraw/zinc/76/16/26/1080761626.db2.gz JFUSAWSBPOORJP-AWEZNQCLSA-N -1 1 371.517 2.787 20 30 FFEDMM C[C@@H](CCCC#C[Si](C)(C)C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589804623 1080761637 /nfs/dbraw/zinc/76/16/37/1080761637.db2.gz JFUSAWSBPOORJP-AWEZNQCLSA-N -1 1 371.517 2.787 20 30 FFEDMM C[C@H](Cc1ccccc1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589899560 1080848212 /nfs/dbraw/zinc/84/82/12/1080848212.db2.gz KZFLLTNIPPPGNH-SECBINFHSA-N -1 1 374.330 2.590 20 30 FFEDMM C[C@H](Cc1ccccc1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589899560 1080848217 /nfs/dbraw/zinc/84/82/17/1080848217.db2.gz KZFLLTNIPPPGNH-SECBINFHSA-N -1 1 374.330 2.590 20 30 FFEDMM N#Cc1cc(Br)ccc1CN[C@@H](Cc1cncs1)C(=O)[O-] ZINC001601084491 1126221779 /nfs/dbraw/zinc/22/17/79/1126221779.db2.gz GOVWEMSUNFZREL-ZDUSSCGKSA-N -1 1 366.240 2.563 20 30 FFEDMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCC#Cc1ccccc1 ZINC000115496007 210171067 /nfs/dbraw/zinc/17/10/67/210171067.db2.gz ADIQAENMEMMLLP-UHFFFAOYSA-N -1 1 354.460 2.837 20 30 FFEDMM C=CCC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C(=O)OCC ZINC000451984247 514110088 /nfs/dbraw/zinc/11/00/88/514110088.db2.gz CWADSUSJGYLACY-CHWSQXEVSA-N -1 1 353.431 2.629 20 30 FFEDMM Cc1cc(F)ccc1N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000331605911 258193021 /nfs/dbraw/zinc/19/30/21/258193021.db2.gz JCISZAWBXSOJBZ-CQSZACIVSA-N -1 1 363.414 2.546 20 30 FFEDMM C[C@@H]1CCCN1S(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000332226409 258220087 /nfs/dbraw/zinc/22/00/87/258220087.db2.gz ZVLLTVSZFCYYRH-LLVKDONJSA-N -1 1 365.846 2.538 20 30 FFEDMM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)[n-]1 ZINC000410540370 512286751 /nfs/dbraw/zinc/28/67/51/512286751.db2.gz MGAVUZAARQFCJK-CHWSQXEVSA-N -1 1 371.407 2.605 20 30 FFEDMM C#CCOc1cc(F)ccc1NC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000085603507 508314091 /nfs/dbraw/zinc/31/40/91/508314091.db2.gz NBIQUCRYRFSIDL-UHFFFAOYSA-N -1 1 361.402 2.748 20 30 FFEDMM CC(C)Oc1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1C#N ZINC000119397899 508787913 /nfs/dbraw/zinc/78/79/13/508787913.db2.gz VGVZYTSSABDITE-UHFFFAOYSA-N -1 1 351.366 2.585 20 30 FFEDMM Cc1ccc(C(=O)N[C@@H](C)C#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000150827966 508902236 /nfs/dbraw/zinc/90/22/36/508902236.db2.gz IJLPQSWJIDWWCI-LBPRGKRZSA-N -1 1 361.398 2.577 20 30 FFEDMM C[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160389754 508980546 /nfs/dbraw/zinc/98/05/46/508980546.db2.gz VXSRDXGADKTBBD-ZCFIWIBFSA-N -1 1 355.616 2.822 20 30 FFEDMM N#Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000132201000 509004742 /nfs/dbraw/zinc/00/47/42/509004742.db2.gz LSGHSGDTTVVMBG-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C#N)CC3)cc2)cc1C ZINC000160975499 509055838 /nfs/dbraw/zinc/05/58/38/509055838.db2.gz JJYQDEQIEYIMAZ-UHFFFAOYSA-N -1 1 369.446 2.890 20 30 FFEDMM COc1ccc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)cc1C#N ZINC000161172658 509080456 /nfs/dbraw/zinc/08/04/56/509080456.db2.gz GABMQXSAZIPDJI-UHFFFAOYSA-N -1 1 374.466 2.782 20 30 FFEDMM CC#CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000126662926 509109645 /nfs/dbraw/zinc/10/96/45/509109645.db2.gz MRBIHAPCDAAJDK-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM COCCCOc1cc(C)ccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188715434 509228407 /nfs/dbraw/zinc/22/84/07/509228407.db2.gz HVAJRJVYMFXBLW-UHFFFAOYSA-N -1 1 354.406 2.918 20 30 FFEDMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000185657115 509290149 /nfs/dbraw/zinc/29/01/49/509290149.db2.gz FILHRBSHNLUISN-QFIPXVFZSA-N -1 1 368.867 2.891 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1[O-] ZINC000188862451 509298991 /nfs/dbraw/zinc/29/89/91/509298991.db2.gz WKRGCWKNGUMZHN-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000176335238 509452107 /nfs/dbraw/zinc/45/21/07/509452107.db2.gz WELNCTRNNDSREF-UHFFFAOYSA-N -1 1 354.309 2.631 20 30 FFEDMM CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000189200305 509461110 /nfs/dbraw/zinc/46/11/10/509461110.db2.gz PHPZMJNAVXCAIU-UHFFFAOYSA-N -1 1 357.454 2.765 20 30 FFEDMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000180129405 509767624 /nfs/dbraw/zinc/76/76/24/509767624.db2.gz XTTDGBMLGFNOSX-UHFFFAOYSA-N -1 1 362.382 2.869 20 30 FFEDMM CC[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000183922831 510040148 /nfs/dbraw/zinc/04/01/48/510040148.db2.gz VNTICNGTZGAUQR-HNNXBMFYSA-N -1 1 357.435 2.909 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1[O-] ZINC000190543787 510195134 /nfs/dbraw/zinc/19/51/34/510195134.db2.gz ISDZPCWZLFHRNG-UHFFFAOYSA-N -1 1 351.284 2.530 20 30 FFEDMM N#Cc1ccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1[O-] ZINC000190775048 510336958 /nfs/dbraw/zinc/33/69/58/510336958.db2.gz NQUKZEUEIARLBM-UHFFFAOYSA-N -1 1 371.387 2.936 20 30 FFEDMM COc1cccc([C@@H](C)N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000188272725 510681554 /nfs/dbraw/zinc/68/15/54/510681554.db2.gz DMFFMMJGKUUCHT-OAHLLOKOSA-N -1 1 365.433 2.791 20 30 FFEDMM Cc1nc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc2F)no1 ZINC000188411530 510753475 /nfs/dbraw/zinc/75/34/75/510753475.db2.gz LEZLMKJYDPNTCV-MRXNPFEDSA-N -1 1 352.325 2.614 20 30 FFEDMM N#Cc1ccc(Br)c(CSc2nc3[nH]ncc3c(=O)[nH]2)c1 ZINC000191680108 510783230 /nfs/dbraw/zinc/78/32/30/510783230.db2.gz VFUVSRZUIOTPIX-UHFFFAOYSA-N -1 1 362.212 2.573 20 30 FFEDMM N#Cc1ccc(NC(=O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000360809895 510952948 /nfs/dbraw/zinc/95/29/48/510952948.db2.gz JZKSINUUMGOAFC-UHFFFAOYSA-N -1 1 363.417 2.797 20 30 FFEDMM N#CC1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000282429208 510973888 /nfs/dbraw/zinc/97/38/88/510973888.db2.gz FYMGJGLYVNLRLX-UHFFFAOYSA-N -1 1 357.819 2.856 20 30 FFEDMM COC(=O)c1cnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[n-]1 ZINC000278624027 511001406 /nfs/dbraw/zinc/00/14/06/511001406.db2.gz JYAMDJYKTULVQI-JKGQDXBKSA-N -1 1 364.471 2.608 20 30 FFEDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000278624027 511001411 /nfs/dbraw/zinc/00/14/11/511001411.db2.gz JYAMDJYKTULVQI-JKGQDXBKSA-N -1 1 364.471 2.608 20 30 FFEDMM N#CCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295617506 511462571 /nfs/dbraw/zinc/46/25/71/511462571.db2.gz DSYRXACGAYNZPF-UHFFFAOYSA-N -1 1 352.199 2.874 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000280754974 511589944 /nfs/dbraw/zinc/58/99/44/511589944.db2.gz MTMDSSTWJBSCPM-MWLCHTKSSA-N -1 1 366.302 2.770 20 30 FFEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccco1 ZINC000281828004 511981627 /nfs/dbraw/zinc/98/16/27/511981627.db2.gz VCCKVOOLCROWMM-ZDUSSCGKSA-N -1 1 374.340 2.836 20 30 FFEDMM Cn1c2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2ccc1=O ZINC000447261021 513429171 /nfs/dbraw/zinc/42/91/71/513429171.db2.gz QWTNLYOUVDABOS-UHFFFAOYSA-N -1 1 373.821 2.864 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1C#N ZINC000441323041 513540143 /nfs/dbraw/zinc/54/01/43/513540143.db2.gz ISIHZJSIUSRZED-UHFFFAOYSA-N -1 1 359.382 2.691 20 30 FFEDMM CCc1[n-][nH]c(=NC(=O)c2c(F)cc(C#N)cc2F)c1Br ZINC000448316441 513732840 /nfs/dbraw/zinc/73/28/40/513732840.db2.gz UVHQPKNDGKYQGT-UHFFFAOYSA-N -1 1 355.142 2.559 20 30 FFEDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000436178929 513783866 /nfs/dbraw/zinc/78/38/66/513783866.db2.gz WCBPZHPGJRJWQF-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)cc1[O-] ZINC000442960388 513829062 /nfs/dbraw/zinc/82/90/62/513829062.db2.gz BABMHLFVDPGXQU-OAHLLOKOSA-N -1 1 371.393 2.557 20 30 FFEDMM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(C#N)c([O-])c3)C2)c(F)c1 ZINC000442972781 513832348 /nfs/dbraw/zinc/83/23/48/513832348.db2.gz MKVOLXFOVYCPCO-MRXNPFEDSA-N -1 1 364.380 2.673 20 30 FFEDMM COC(=O)CCCOc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442973149 513833120 /nfs/dbraw/zinc/83/31/20/513833120.db2.gz NRYWGQBJDXVMGO-UHFFFAOYSA-N -1 1 368.389 2.526 20 30 FFEDMM CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)Cc2ccccc21 ZINC000443057712 513856516 /nfs/dbraw/zinc/85/65/16/513856516.db2.gz KTXKIMUKJZBJJX-QGZVFWFLSA-N -1 1 350.374 2.567 20 30 FFEDMM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)ccc2NC1=O ZINC000443296627 513924518 /nfs/dbraw/zinc/92/45/18/513924518.db2.gz QBXLWDJJFOMYTR-DIFFPNOSSA-N -1 1 365.389 2.864 20 30 FFEDMM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443313552 513932101 /nfs/dbraw/zinc/93/21/01/513932101.db2.gz PZAYFZXUCZQPDP-CQSZACIVSA-N -1 1 365.433 2.905 20 30 FFEDMM C=CCOc1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436718077 513954839 /nfs/dbraw/zinc/95/48/39/513954839.db2.gz DBZRJVJKCJJSAG-UHFFFAOYSA-N -1 1 363.391 2.764 20 30 FFEDMM N#Cc1ccc(-n2ccc(NC(=O)c3cc(F)ccc3[O-])n2)c(Cl)c1 ZINC000436745291 513965047 /nfs/dbraw/zinc/96/50/47/513965047.db2.gz BMLISDBEIFMZRO-UHFFFAOYSA-N -1 1 356.744 2.916 20 30 FFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000443422397 513965777 /nfs/dbraw/zinc/96/57/77/513965777.db2.gz JDQJAZTWMBKZAH-UHFFFAOYSA-N -1 1 356.447 2.892 20 30 FFEDMM N#Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000436919754 514034860 /nfs/dbraw/zinc/03/48/60/514034860.db2.gz OVBNJHHFCWGVHD-UHFFFAOYSA-N -1 1 353.769 2.884 20 30 FFEDMM N#Cc1ccc(CC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC000436919754 514034862 /nfs/dbraw/zinc/03/48/62/514034862.db2.gz OVBNJHHFCWGVHD-UHFFFAOYSA-N -1 1 353.769 2.884 20 30 FFEDMM C=CCc1cc(CNC(=O)C(=O)c2ccc([O-])cc2)cc(OC)c1OC ZINC000436969465 514055822 /nfs/dbraw/zinc/05/58/22/514055822.db2.gz YSKWOMHWVACTOM-UHFFFAOYSA-N -1 1 355.390 2.637 20 30 FFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000416941840 514059025 /nfs/dbraw/zinc/05/90/25/514059025.db2.gz QTICXZQPNUJSIV-INIZCTEOSA-N -1 1 363.483 2.911 20 30 FFEDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)C(F)(F)F ZINC000443936653 514075424 /nfs/dbraw/zinc/07/54/24/514075424.db2.gz RMORSVCDNMEIFS-NOZJJQNGSA-N -1 1 350.362 2.822 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1F ZINC000427783649 514313934 /nfs/dbraw/zinc/31/39/34/514313934.db2.gz WBTIDOUCNGHFNA-UHFFFAOYSA-N -1 1 360.345 2.823 20 30 FFEDMM N#CC(CCc1ccccc1)=C([O-])N=c1ccn(CCc2ccncc2)[nH]1 ZINC000433345245 514465871 /nfs/dbraw/zinc/46/58/71/514465871.db2.gz XILUDQGOUQDRFR-LJQANCHMSA-N -1 1 359.433 2.654 20 30 FFEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475784626 514808560 /nfs/dbraw/zinc/80/85/60/514808560.db2.gz BYZYMKLEZTWGCC-UHFFFAOYSA-N -1 1 358.423 2.695 20 30 FFEDMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000499154156 515220780 /nfs/dbraw/zinc/22/07/80/515220780.db2.gz HXIWEDLCJCFZHA-UHFFFAOYSA-N -1 1 367.386 2.694 20 30 FFEDMM C[C@H](Sc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-] ZINC000504658740 515349391 /nfs/dbraw/zinc/34/93/91/515349391.db2.gz ZWWMLXYCJJFECP-NSHDSACASA-N -1 1 362.432 2.924 20 30 FFEDMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C#N)ccn2)[nH][n-]1 ZINC000493667773 515653906 /nfs/dbraw/zinc/65/39/06/515653906.db2.gz ABGQNAWEFZKHSV-UHFFFAOYSA-N -1 1 353.769 2.680 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1cc(C)cc(C)c1 ZINC000469088453 515664959 /nfs/dbraw/zinc/66/49/59/515664959.db2.gz YTJNBDLJBOIFDQ-SFHVURJKSA-N -1 1 372.446 2.676 20 30 FFEDMM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000494330226 515811150 /nfs/dbraw/zinc/81/11/50/515811150.db2.gz OCKYIOIVIGYWMA-INIZCTEOSA-N -1 1 370.515 2.892 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c1 ZINC000479136947 516072869 /nfs/dbraw/zinc/07/28/69/516072869.db2.gz UBSFTJJLOIZBGC-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM C=C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000465145133 516076797 /nfs/dbraw/zinc/07/67/97/516076797.db2.gz HLJXMCPROLWQDQ-ZDUSSCGKSA-N -1 1 360.435 2.800 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)CC3(C#N)CCCC3)CCCCCC2)no1 ZINC000544750668 516911350 /nfs/dbraw/zinc/91/13/50/516911350.db2.gz WCDBFCHWUBEBIW-UHFFFAOYSA-N -1 1 366.487 2.931 20 30 FFEDMM N#C[C@@H](C(=O)c1cncnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000544867716 516968196 /nfs/dbraw/zinc/96/81/96/516968196.db2.gz IFKKHIRLFVOYET-NSHDSACASA-N -1 1 351.391 2.556 20 30 FFEDMM Cc1cnc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000548633802 517101625 /nfs/dbraw/zinc/10/16/25/517101625.db2.gz IHUUFHDLOIUCDF-GFCCVEGCSA-N -1 1 351.284 2.989 20 30 FFEDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C2CC2)n1 ZINC000525699346 517123153 /nfs/dbraw/zinc/12/31/53/517123153.db2.gz GEIIGQQSTFVZPK-AWEZNQCLSA-N -1 1 351.428 2.892 20 30 FFEDMM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000538016496 517441028 /nfs/dbraw/zinc/44/10/28/517441028.db2.gz KVBBVEORHFSQAS-JTQLQIEISA-N -1 1 351.378 2.833 20 30 FFEDMM CNc1ccc(C#N)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000538826059 517794379 /nfs/dbraw/zinc/79/43/79/517794379.db2.gz MMXHHQSWULUERP-UHFFFAOYSA-N -1 1 374.404 2.647 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccco2)cc1Br ZINC000563287371 517795993 /nfs/dbraw/zinc/79/59/93/517795993.db2.gz KWPKLIKJROEZBC-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(C)=O)cc2)n1 ZINC000516795418 517847067 /nfs/dbraw/zinc/84/70/67/517847067.db2.gz JWNYWLTVAOFVNM-ZDUSSCGKSA-N -1 1 357.391 2.768 20 30 FFEDMM COc1ccc(-c2n[n-]c(S(=O)(=O)CCCCC(C)(C)C#N)n2)cc1 ZINC000567117360 518359982 /nfs/dbraw/zinc/35/99/82/518359982.db2.gz ZESAZYROKMEBDF-UHFFFAOYSA-N -1 1 362.455 2.974 20 30 FFEDMM COc1ccc(-c2nc(S(=O)(=O)CCCCC(C)(C)C#N)n[n-]2)cc1 ZINC000567117360 518359988 /nfs/dbraw/zinc/35/99/88/518359988.db2.gz ZESAZYROKMEBDF-UHFFFAOYSA-N -1 1 362.455 2.974 20 30 FFEDMM CCN1C[C@@H](CN(C)C(=O)c2cc([O-])cc(C#N)c2)Oc2ccccc21 ZINC000589158655 518933449 /nfs/dbraw/zinc/93/34/49/518933449.db2.gz ZBPFNCQISQUKST-QGZVFWFLSA-N -1 1 351.406 2.623 20 30 FFEDMM CCN(CC)C(=O)c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589168145 518937853 /nfs/dbraw/zinc/93/78/53/518937853.db2.gz PLRDACDRSMLVAP-UHFFFAOYSA-N -1 1 351.406 2.676 20 30 FFEDMM Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589175247 518939865 /nfs/dbraw/zinc/93/98/65/518939865.db2.gz IQFFIALYZCSQOZ-UHFFFAOYSA-N -1 1 357.797 2.984 20 30 FFEDMM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589179392 518941838 /nfs/dbraw/zinc/94/18/38/518941838.db2.gz OQERLIXDRCCKIX-FQEVSTJZSA-N -1 1 369.465 2.907 20 30 FFEDMM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589189013 518945888 /nfs/dbraw/zinc/94/58/88/518945888.db2.gz UAVPMYNPYBCFCE-GFCCVEGCSA-N -1 1 358.398 2.653 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000589199623 518948545 /nfs/dbraw/zinc/94/85/45/518948545.db2.gz DEELDRRMDRGJGU-CYBMUJFWSA-N -1 1 364.327 2.956 20 30 FFEDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)ccc21 ZINC000589595388 519037858 /nfs/dbraw/zinc/03/78/58/519037858.db2.gz QWTICQMUTFVIBO-UHFFFAOYSA-N -1 1 373.409 2.797 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000614298319 520896539 /nfs/dbraw/zinc/89/65/39/520896539.db2.gz KGIQXZPJHLBHQM-UHFFFAOYSA-N -1 1 368.780 2.940 20 30 FFEDMM CN(C(=O)c1ccc(I)c([O-])c1)[C@@H]1CCC[C@H]1C#N ZINC000601806240 520962335 /nfs/dbraw/zinc/96/23/35/520962335.db2.gz CUOFJKJHGQJOBF-CMPLNLGQSA-N -1 1 370.190 2.761 20 30 FFEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000611619487 521251668 /nfs/dbraw/zinc/25/16/68/521251668.db2.gz DFGQCUVCWGUXID-UHFFFAOYSA-N -1 1 353.188 2.555 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000619144136 521416686 /nfs/dbraw/zinc/41/66/86/521416686.db2.gz JQVBHNBZJHWENY-UHFFFAOYSA-N -1 1 350.422 2.816 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)c1 ZINC000619462081 521580966 /nfs/dbraw/zinc/58/09/66/521580966.db2.gz YXJLMGHXZHWAIB-UHFFFAOYSA-N -1 1 369.446 2.676 20 30 FFEDMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2)n1C ZINC000619463503 521581521 /nfs/dbraw/zinc/58/15/21/521581521.db2.gz KQVHSGBPYNNEEJ-UHFFFAOYSA-N -1 1 367.434 2.657 20 30 FFEDMM COc1nc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)co1 ZINC000626284221 522074563 /nfs/dbraw/zinc/07/45/63/522074563.db2.gz KWNOVOQFHACOQF-SECBINFHSA-N -1 1 370.390 2.762 20 30 FFEDMM CCO[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C12CCC2 ZINC000736618523 599032927 /nfs/dbraw/zinc/03/29/27/599032927.db2.gz UMQGWLFVBXBHJC-LLVKDONJSA-N -1 1 359.434 2.899 20 30 FFEDMM C[C@@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735505323 599199258 /nfs/dbraw/zinc/19/92/58/599199258.db2.gz QNQVIHYTRQZMFY-JTQLQIEISA-N -1 1 368.784 2.954 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC(C(=O)[O-])CC2)c1 ZINC000740068011 596919778 /nfs/dbraw/zinc/91/97/78/596919778.db2.gz ZOGNBRLTDOZTDZ-MRXNPFEDSA-N -1 1 357.454 2.735 20 30 FFEDMM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)c1 ZINC000774119844 598201678 /nfs/dbraw/zinc/20/16/78/598201678.db2.gz OGTSGNDRXXCONJ-GQCTYLIASA-N -1 1 367.401 2.819 20 30 FFEDMM CC1CCN([C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c2cccs2)CC1 ZINC000820237736 598222445 /nfs/dbraw/zinc/22/24/45/598222445.db2.gz CPDOFNNHUMSNLS-RDTXWAMCSA-N -1 1 363.483 2.642 20 30 FFEDMM C[C@H](CC#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735964308 598401095 /nfs/dbraw/zinc/40/10/95/598401095.db2.gz XXXNNOBQYLUCPC-LLVKDONJSA-N -1 1 366.356 2.830 20 30 FFEDMM C[C@H](CC#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735964308 598401097 /nfs/dbraw/zinc/40/10/97/598401097.db2.gz XXXNNOBQYLUCPC-LLVKDONJSA-N -1 1 366.356 2.830 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(F)cc1O ZINC000735451175 598512289 /nfs/dbraw/zinc/51/22/89/598512289.db2.gz RHMUAWDPZFUKSM-UHFFFAOYSA-N -1 1 359.365 2.833 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1C ZINC000738724450 600291824 /nfs/dbraw/zinc/29/18/24/600291824.db2.gz KNZOHGDJBMNOCL-KRWDZBQOSA-N -1 1 369.465 2.737 20 30 FFEDMM CCC1CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])CC1 ZINC000829112795 601985356 /nfs/dbraw/zinc/98/53/56/601985356.db2.gz NXEWCSJABIQDKY-UHFFFAOYSA-N -1 1 372.393 2.538 20 30 FFEDMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833596340 604617982 /nfs/dbraw/zinc/61/79/82/604617982.db2.gz MWISTVGVQBUHCA-KBPBESRZSA-N -1 1 373.453 2.992 20 30 FFEDMM CC(=[NH+][N-]c1ccc(C(=O)[O-])cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000763369308 604666600 /nfs/dbraw/zinc/66/66/00/604666600.db2.gz FCZYQTFSYBKAIC-UHFFFAOYSA-N -1 1 358.373 2.592 20 30 FFEDMM COc1cc2c(cc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000832103688 604777963 /nfs/dbraw/zinc/77/79/63/604777963.db2.gz XRDMWJCYMKBCTQ-HXPMCKFVSA-N -1 1 352.390 2.806 20 30 FFEDMM C#CCNC(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000833365329 605126676 /nfs/dbraw/zinc/12/66/76/605126676.db2.gz GQRSCZBMDUYSER-OAHLLOKOSA-N -1 1 369.248 2.581 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000823530322 606391790 /nfs/dbraw/zinc/39/17/90/606391790.db2.gz JDXNLDURBOIFTE-ZZXKWVIFSA-N -1 1 351.391 2.709 20 30 FFEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820155743 606530741 /nfs/dbraw/zinc/53/07/41/606530741.db2.gz WBDAVONTLNYRDZ-UHFFFAOYSA-N -1 1 354.395 2.839 20 30 FFEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820155743 606530745 /nfs/dbraw/zinc/53/07/45/606530745.db2.gz WBDAVONTLNYRDZ-UHFFFAOYSA-N -1 1 354.395 2.839 20 30 FFEDMM COc1cccc2c1CCC2N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000821877567 607111179 /nfs/dbraw/zinc/11/11/79/607111179.db2.gz MEMHRYCEXIFAHE-UHFFFAOYSA-N -1 1 367.413 2.824 20 30 FFEDMM CCc1noc(C)c1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000821552874 607251761 /nfs/dbraw/zinc/25/17/61/607251761.db2.gz AARPKZMHAZRZDT-UHFFFAOYSA-N -1 1 358.406 2.847 20 30 FFEDMM Cc1cc(Cl)cc(C)c1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC000826267862 607931080 /nfs/dbraw/zinc/93/10/80/607931080.db2.gz ZYPFDFWXWDETFK-UHFFFAOYSA-N -1 1 356.817 2.798 20 30 FFEDMM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826355797 608092900 /nfs/dbraw/zinc/09/29/00/608092900.db2.gz NKEYFSXCHPXWJG-NSCUHMNNSA-N -1 1 355.210 2.865 20 30 FFEDMM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826355797 608092901 /nfs/dbraw/zinc/09/29/01/608092901.db2.gz NKEYFSXCHPXWJG-NSCUHMNNSA-N -1 1 355.210 2.865 20 30 FFEDMM O=C([O-])COc1ccc(CN=Nc2ccc(F)cn2)cc1Br ZINC000743442202 735297679 /nfs/dbraw/zinc/29/76/79/735297679.db2.gz SVDBMNPZUBCWOQ-UHFFFAOYSA-N -1 1 368.162 2.893 20 30 FFEDMM CCNc1nc([N-]N=C2c3cc(Cl)ccc3NC2=O)nc(NCC)n1 ZINC000024037839 727850325 /nfs/dbraw/zinc/85/03/25/727850325.db2.gz BTKWDSLPSXWTII-UHFFFAOYSA-N -1 1 360.809 2.806 20 30 FFEDMM Cc1ccc2c(c1)CCC2=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746491666 735487586 /nfs/dbraw/zinc/48/75/86/735487586.db2.gz HOABQFBEQHEXOM-UHFFFAOYSA-N -1 1 359.407 2.673 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2coc3ccccc23)cc1 ZINC000746576386 735495107 /nfs/dbraw/zinc/49/51/07/735495107.db2.gz OIQNJNIHNBSRJL-UHFFFAOYSA-N -1 1 359.363 2.795 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1F ZINC000103058323 728493881 /nfs/dbraw/zinc/49/38/81/728493881.db2.gz LZUYVBDHQWQCTO-UHFFFAOYSA-N -1 1 362.382 2.869 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1Cl ZINC000130479196 728718353 /nfs/dbraw/zinc/71/83/53/728718353.db2.gz VXIVLNGOXZOEDY-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000135372845 728738129 /nfs/dbraw/zinc/73/81/29/728738129.db2.gz LMDKYTAJMKXLRX-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000176071467 729108331 /nfs/dbraw/zinc/10/83/31/729108331.db2.gz BSPUQMCNOQCTJZ-QGZVFWFLSA-N -1 1 356.403 2.946 20 30 FFEDMM N#Cc1cc(Br)ccc1N1CC(C(=O)[N-]OCC2CCC2)C1 ZINC000856342102 730327255 /nfs/dbraw/zinc/32/72/55/730327255.db2.gz MTIGZUXSFCJSSR-UHFFFAOYSA-N -1 1 364.243 2.605 20 30 FFEDMM C#CC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000859427380 730454519 /nfs/dbraw/zinc/45/45/19/730454519.db2.gz BIMLMGFBRKIYDG-SECBINFHSA-N -1 1 355.765 2.675 20 30 FFEDMM CC[C@H]1CCN(c2nc([O-])c(CC(=O)Nc3ccc(C#N)cc3)s2)C1 ZINC000864344960 730840567 /nfs/dbraw/zinc/84/05/67/730840567.db2.gz LANIZUSRTXELGK-WFASDCNBSA-N -1 1 356.451 2.617 20 30 FFEDMM C[C@H](C#N)CN(C(=O)c1ccc(I)cc1[O-])C1CC1 ZINC000866944877 731122629 /nfs/dbraw/zinc/12/26/29/731122629.db2.gz BYMZSCPVDBDDIK-SECBINFHSA-N -1 1 370.190 2.761 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)OCC ZINC000867589536 731203439 /nfs/dbraw/zinc/20/34/39/731203439.db2.gz QAAJDXXKXFYFRM-MRVPVSSYSA-N -1 1 357.762 2.570 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000775384715 738089180 /nfs/dbraw/zinc/08/91/80/738089180.db2.gz MZMJIZOUYQQDBB-GFCCVEGCSA-N -1 1 362.838 2.892 20 30 FFEDMM O=C1Nc2ccc(Br)cc2C1=N[N-]c1ncncc1Cl ZINC000780282432 738530962 /nfs/dbraw/zinc/53/09/62/738530962.db2.gz DIPTUSJPKCHRQN-UHFFFAOYSA-N -1 1 352.579 2.661 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000872489385 731779427 /nfs/dbraw/zinc/77/94/27/731779427.db2.gz UCUVXQGSJVYWHS-ASSNKEHSSA-N -1 1 362.904 2.745 20 30 FFEDMM C=CCCC1(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000875711925 732182717 /nfs/dbraw/zinc/18/27/17/732182717.db2.gz FXIIDRQDTKIWMI-UHFFFAOYSA-N -1 1 361.408 2.833 20 30 FFEDMM Cc1cc(C#N)cc([N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)c1 ZINC000882737438 733283858 /nfs/dbraw/zinc/28/38/58/733283858.db2.gz LKEGJNXQUOYECY-JOCHJYFZSA-N -1 1 355.485 2.954 20 30 FFEDMM C[C@@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000783022240 738773415 /nfs/dbraw/zinc/77/34/15/738773415.db2.gz CAWZQAMLCDDJRX-SNVBAGLBSA-N -1 1 350.421 2.909 20 30 FFEDMM Cc1ccc2cc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)ccc2n1 ZINC000783514648 738810579 /nfs/dbraw/zinc/81/05/79/738810579.db2.gz RRMPQJCOONFNKE-UHFFFAOYSA-N -1 1 350.403 2.616 20 30 FFEDMM Cn1nc2c(c1C([O-])=C(C#N)c1nc3ccccc3n1C)CSCC2 ZINC000892420200 734557071 /nfs/dbraw/zinc/55/70/71/734557071.db2.gz PDVDVEYQUPGBCV-LLVKDONJSA-N -1 1 351.435 2.586 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)c1 ZINC000730995227 734661382 /nfs/dbraw/zinc/66/13/82/734661382.db2.gz CELSEWVMPVDJDG-UHFFFAOYSA-N -1 1 361.419 2.525 20 30 FFEDMM COC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1F ZINC000734119679 734875232 /nfs/dbraw/zinc/87/52/32/734875232.db2.gz FTJRIZOGLQJEEL-UHFFFAOYSA-N -1 1 363.370 2.985 20 30 FFEDMM COc1ccc([C@@H](C)C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000747629141 735575605 /nfs/dbraw/zinc/57/56/05/735575605.db2.gz DTMFPFYZCGCWLL-LBPRGKRZSA-N -1 1 357.435 2.913 20 30 FFEDMM CCC(Cc1cccs1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748255501 735630791 /nfs/dbraw/zinc/63/07/91/735630791.db2.gz WTXZUCHZJUEXDA-UHFFFAOYSA-N -1 1 353.425 2.943 20 30 FFEDMM Cc1ccccc1C(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000748255485 735630812 /nfs/dbraw/zinc/63/08/12/735630812.db2.gz WAOORUMTQYBZLP-UHFFFAOYSA-N -1 1 359.407 2.996 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(Br)cn1 ZINC000756898954 736371542 /nfs/dbraw/zinc/37/15/42/736371542.db2.gz JANLWPGQEUUQBH-UHFFFAOYSA-N -1 1 350.172 2.997 20 30 FFEDMM CCN(C)c1ccccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000757892080 736433717 /nfs/dbraw/zinc/43/37/17/736433717.db2.gz RVMYUFPZEKJHTA-UHFFFAOYSA-N -1 1 365.405 2.771 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C/C=C/c1ccc(F)cc1F ZINC000758125386 736454199 /nfs/dbraw/zinc/45/41/99/736454199.db2.gz WJLPFTZPIRRZCP-SULFSDHOSA-N -1 1 367.333 2.851 20 30 FFEDMM Cc1cccc([C@H]([N-]S(=O)(=O)CC2(C#N)CC2)C(=O)OC(C)(C)C)c1 ZINC000907659880 736653575 /nfs/dbraw/zinc/65/35/75/736653575.db2.gz GVEDISLSAZLBKC-HNNXBMFYSA-N -1 1 364.467 2.601 20 30 FFEDMM C#CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000761055360 736691116 /nfs/dbraw/zinc/69/11/16/736691116.db2.gz DYVDRIONYLYXJN-UHFFFAOYSA-N -1 1 359.403 2.594 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000908814076 736836869 /nfs/dbraw/zinc/83/68/69/736836869.db2.gz NQAIFCIEGCYFKX-CVEARBPZSA-N -1 1 351.422 2.537 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2C[C@H]3CCCc4cccc2c43)c2ccccc21 ZINC000763353503 736930188 /nfs/dbraw/zinc/93/01/88/736930188.db2.gz DPPUPMREHNIBJB-CYBMUJFWSA-N -1 1 351.431 2.953 20 30 FFEDMM Cc1cc(OC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)ccc1C#N ZINC000765095663 737081932 /nfs/dbraw/zinc/08/19/32/737081932.db2.gz WZZFZMONCXXFIK-UHFFFAOYSA-N -1 1 362.407 2.756 20 30 FFEDMM O=C(C#Cc1ccc2c(c1)OCO2)NCc1cccc(Br)c1[O-] ZINC000765736482 737151400 /nfs/dbraw/zinc/15/14/00/737151400.db2.gz MGJHNYBGLYMVLP-UHFFFAOYSA-N -1 1 374.190 2.551 20 30 FFEDMM C=CCN(CCc1ccccc1)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000765981128 737180531 /nfs/dbraw/zinc/18/05/31/737180531.db2.gz COGJHBBLWWCPLH-HNNXBMFYSA-N -1 1 356.388 2.947 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cc[nH]c3=O)c2)ccc1C#N ZINC000766547091 737240607 /nfs/dbraw/zinc/24/06/07/737240607.db2.gz JCMWBVDHQSYGPM-UHFFFAOYSA-N -1 1 354.391 2.559 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000767355143 737318061 /nfs/dbraw/zinc/31/80/61/737318061.db2.gz CUQJEXHUQKEQRD-UHFFFAOYSA-N -1 1 374.369 2.625 20 30 FFEDMM O=C1Nc2cccc(Br)c2C1=N[N-]c1cncc(Cl)n1 ZINC000914556770 737583398 /nfs/dbraw/zinc/58/33/98/737583398.db2.gz FRQLLXISZUVDNM-UHFFFAOYSA-N -1 1 352.579 2.661 20 30 FFEDMM NC(=O)c1ccc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)cc1 ZINC000915955542 737666964 /nfs/dbraw/zinc/66/69/64/737666964.db2.gz GHHLMDAZGFACNP-UHFFFAOYSA-N -1 1 369.475 2.840 20 30 FFEDMM C#CCOc1ccc(Br)cc1C=NNc1nc(C)cc(=O)[n-]1 ZINC000916241799 737689378 /nfs/dbraw/zinc/68/93/78/737689378.db2.gz VQRHROVUWDMXFH-UHFFFAOYSA-N -1 1 361.199 2.711 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H]1CCCO1 ZINC000773049904 737865951 /nfs/dbraw/zinc/86/59/51/737865951.db2.gz ASJRJMHRXXNLDP-NWDGAFQWSA-N -1 1 367.776 2.818 20 30 FFEDMM N#Cc1cccnc1NCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776466759 738197044 /nfs/dbraw/zinc/19/70/44/738197044.db2.gz AJKWZRPKDLJGAQ-UHFFFAOYSA-N -1 1 350.300 2.520 20 30 FFEDMM Cc1nc(SCCCC(=O)ONC(=N)c2cccs2)[n-]c(=O)c1C ZINC000776870433 738240075 /nfs/dbraw/zinc/24/00/75/738240075.db2.gz PKBVSOGSBCTWCM-UHFFFAOYSA-N -1 1 366.468 2.597 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000777433747 738289270 /nfs/dbraw/zinc/28/92/70/738289270.db2.gz KOSWJZMALBEZBB-UHFFFAOYSA-N -1 1 357.457 2.533 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)c1 ZINC000777625600 738307060 /nfs/dbraw/zinc/30/70/60/738307060.db2.gz KXKNVZMLSYZMBN-UHFFFAOYSA-N -1 1 360.391 2.678 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000778541080 738392263 /nfs/dbraw/zinc/39/22/63/738392263.db2.gz ACUHYTJZLQRBDO-UHFFFAOYSA-N -1 1 351.359 2.827 20 30 FFEDMM COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1 ZINC000785598467 738980222 /nfs/dbraw/zinc/98/02/22/738980222.db2.gz PAHDEBYROPMLGZ-OAHLLOKOSA-N -1 1 358.781 2.951 20 30 FFEDMM Cc1ccc2c(c1C)NC(=O)C2=NN=c1[n-]nc(-c2ccccn2)s1 ZINC000788027529 739199039 /nfs/dbraw/zinc/19/90/39/739199039.db2.gz MGDQYOZYSQGPAD-UHFFFAOYSA-N -1 1 350.407 2.985 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(F)cccc2OC(F)(F)F)c(=O)o1 ZINC000789128978 739318142 /nfs/dbraw/zinc/31/81/42/739318142.db2.gz XETMSJBQFLCUBM-VBROQKIQSA-N -1 1 358.243 2.953 20 30 FFEDMM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790382292 739445956 /nfs/dbraw/zinc/44/59/56/739445956.db2.gz AGHCXOUGYSTHFB-UHFFFAOYSA-N -1 1 365.794 2.829 20 30 FFEDMM C=CCOc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000795999656 740088600 /nfs/dbraw/zinc/08/86/00/740088600.db2.gz GEOZDFVCWCSGOU-UHFFFAOYSA-N -1 1 366.370 2.777 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000798246321 740316292 /nfs/dbraw/zinc/31/62/92/740316292.db2.gz APBVGHPSRKTCSP-UHFFFAOYSA-N -1 1 355.375 2.507 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(F)ccc1[N+](=O)[O-] ZINC000800052395 740479171 /nfs/dbraw/zinc/47/91/71/740479171.db2.gz VDUNNRAHWLQWON-UHFFFAOYSA-N -1 1 353.306 2.854 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCCc2sccc21 ZINC000814864988 741871090 /nfs/dbraw/zinc/87/10/90/741871090.db2.gz MDYFZOJJOSVKDZ-UHFFFAOYSA-N -1 1 351.409 2.675 20 30 FFEDMM CCn1ncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000815909513 741972153 /nfs/dbraw/zinc/97/21/53/741972153.db2.gz BSKGMMVFJOIFEZ-LLVKDONJSA-N -1 1 352.181 2.566 20 30 FFEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832597738 745726067 /nfs/dbraw/zinc/72/60/67/745726067.db2.gz ZXEPRECAKVXUKX-QMMMGPOBSA-N -1 1 369.226 2.507 20 30 FFEDMM C=CCO[N-]C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000837047847 746355871 /nfs/dbraw/zinc/35/58/71/746355871.db2.gz JOJIZTVCWOPFPH-DZGCQCFKSA-N -1 1 356.344 2.849 20 30 FFEDMM C=C(C)CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000852522281 749882842 /nfs/dbraw/zinc/88/28/42/749882842.db2.gz YOZGCLBDGJXWDX-OLZOCXBDSA-N -1 1 364.408 2.806 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@H]2Cc2ccccn2)c2ccccc21 ZINC000853289130 750044300 /nfs/dbraw/zinc/04/43/00/750044300.db2.gz KMJCYZJZMCTQND-ZDUSSCGKSA-N -1 1 354.435 2.519 20 30 FFEDMM C#CCN(CC(=O)[O-])C(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC001602679637 971261317 /nfs/dbraw/zinc/26/13/17/971261317.db2.gz UYQQJPVMSCQDIV-MRXNPFEDSA-N -1 1 370.371 2.635 20 30 FFEDMM CCC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCN1Cc1ccccc1 ZINC001589638925 949646636 /nfs/dbraw/zinc/64/66/36/949646636.db2.gz HMLQSDCEQYBDDB-XLIONFOSSA-N -1 1 357.454 2.504 20 30 FFEDMM COC[C@]1(C(=O)[O-])CN(Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001593982866 956725539 /nfs/dbraw/zinc/72/55/39/956725539.db2.gz DFBURFVUYMEJOK-NRFANRHFSA-N -1 1 366.417 2.527 20 30 FFEDMM N#Cc1cc2c(nc1N1CCC(C(=O)c3ccc([O-])cc3)CC1)CCOC2 ZINC000649308817 1013340761 /nfs/dbraw/zinc/34/07/61/1013340761.db2.gz RVNLFWGIYUCLAM-UHFFFAOYSA-N -1 1 363.417 2.831 20 30 FFEDMM C#CCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc3sccc3c1[O-])CC2 ZINC001271026706 967975505 /nfs/dbraw/zinc/97/55/05/967975505.db2.gz OFYINUTWSNMVOF-HNNXBMFYSA-N -1 1 368.458 2.599 20 30 FFEDMM Cn1cc(CN2C[C@@H]3CCN(C(=O)c4ccc([S-])cc4)[C@@H]3C2)cc1C#N ZINC001272017050 979754642 /nfs/dbraw/zinc/75/46/42/979754642.db2.gz LRPJFAUFMRENML-QFBILLFUSA-N -1 1 366.490 2.532 20 30 FFEDMM C=CCn1c(COCC)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000669808454 986381997 /nfs/dbraw/zinc/38/19/97/986381997.db2.gz ZPYRTXZHJUZHHJ-UHFFFAOYSA-N -1 1 370.453 2.806 20 30 FFEDMM N#Cc1cccc(NC2CN(C(=O)c3ccc(Br)cc3[O-])C2)c1 ZINC001168642773 986741223 /nfs/dbraw/zinc/74/12/23/986741223.db2.gz MQKCGQKNNPHFGH-UHFFFAOYSA-N -1 1 372.222 2.963 20 30 FFEDMM CCC(=NNc1ccc(-n2ccnc2)nn1)c1cc(C(=O)[O-])ccc1F ZINC000761836960 987900547 /nfs/dbraw/zinc/90/05/47/987900547.db2.gz CXLURKUUYMKRMF-UHFFFAOYSA-N -1 1 354.345 2.726 20 30 FFEDMM Cc1cc(C)c2c(c1)C(=NN=C1[N-]S(=O)(=O)c3ccccc31)CCCO2 ZINC000763164426 989145684 /nfs/dbraw/zinc/14/56/84/989145684.db2.gz CIXMANSLFPFXGF-UHFFFAOYSA-N -1 1 369.446 2.919 20 30 FFEDMM C=CCCO[N-]C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC001301633505 989735484 /nfs/dbraw/zinc/73/54/84/989735484.db2.gz ZGPCZZZWPRLHQJ-LBPRGKRZSA-N -1 1 367.243 2.734 20 30 FFEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(CCC)[nH]n2)C1=O ZINC000174942926 991116495 /nfs/dbraw/zinc/11/64/95/991116495.db2.gz LFQDRFUFKIQOAC-SFHVURJKSA-N -1 1 363.462 2.678 20 30 FFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000809680797 994578953 /nfs/dbraw/zinc/57/89/53/994578953.db2.gz COWZCKWCDFOPOT-BETUJISGSA-N -1 1 359.426 2.734 20 30 FFEDMM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000809732846 994585714 /nfs/dbraw/zinc/58/57/14/994585714.db2.gz LTMOOZPDSLWYKJ-OCCSQVGLSA-N -1 1 359.426 2.639 20 30 FFEDMM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809783113 994612388 /nfs/dbraw/zinc/61/23/88/994612388.db2.gz RKORTKUFBJPIFU-LRDDRELGSA-N -1 1 359.426 2.639 20 30 FFEDMM COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cccc(C(=O)[O-])c1C#N ZINC001598705588 995282020 /nfs/dbraw/zinc/28/20/20/995282020.db2.gz VYVBYUQWGVUGNK-KSSFIOAISA-N -1 1 366.417 2.766 20 30 FFEDMM C#CCOc1cccc(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000730403791 997154184 /nfs/dbraw/zinc/15/41/84/997154184.db2.gz XPJBDKXFKQJVRL-UHFFFAOYSA-N -1 1 372.446 2.901 20 30 FFEDMM C[C@@H]1CCC[C@H](NC(=S)NN=C2CCCc3c(C#N)c(=O)[n-]cc32)[C@@H]1C ZINC000844569851 997994981 /nfs/dbraw/zinc/99/49/81/997994981.db2.gz SBHMMROFGWXVCF-HSMVNMDESA-N -1 1 371.510 2.988 20 30 FFEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)cc1 ZINC000844663621 998063396 /nfs/dbraw/zinc/06/33/96/998063396.db2.gz MSSCUNRIOSTZAN-UHFFFAOYSA-N -1 1 372.446 2.506 20 30 FFEDMM C[C@H]1CCN(C(=O)NCC2(C#N)CCCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000845331542 998485873 /nfs/dbraw/zinc/48/58/73/998485873.db2.gz YDPABZKKMNWVMQ-AVGNSLFASA-N -1 1 374.407 2.557 20 30 FFEDMM N#CCCN(C(=O)COC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000745523199 999917427 /nfs/dbraw/zinc/91/74/27/999917427.db2.gz VXLNSXFNTLFGDZ-UHFFFAOYSA-N -1 1 360.316 2.774 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@H](C)C#N)c2)cc1 ZINC000770927788 1000957013 /nfs/dbraw/zinc/95/70/13/1000957013.db2.gz FHXQNJJWXLWOCN-CYBMUJFWSA-N -1 1 374.418 2.812 20 30 FFEDMM CN(C[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1)C(=O)OC(C)(C)C ZINC000785597086 1001456556 /nfs/dbraw/zinc/45/65/56/1001456556.db2.gz FWEIVOGEVKORFZ-HNNXBMFYSA-N -1 1 359.426 2.735 20 30 FFEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000746680924 1001691314 /nfs/dbraw/zinc/69/13/14/1001691314.db2.gz APKWYJSDLBLXSS-NSHDSACASA-N -1 1 359.338 2.901 20 30 FFEDMM COC(=O)COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC000788734104 1001863727 /nfs/dbraw/zinc/86/37/27/1001863727.db2.gz WPAGISSUCWCPAT-WAPJZHGLSA-N -1 1 357.318 2.748 20 30 FFEDMM CC1(C)C(=NN=C2[N-]S(=O)(=O)c3ccccc32)C[C@@H]1Oc1ccccc1 ZINC000788991730 1001931375 /nfs/dbraw/zinc/93/13/75/1001931375.db2.gz PICOQEMJBUUMJF-KRWDZBQOSA-N -1 1 369.446 2.959 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1cccc(C#N)c1F ZINC000774931974 1003075537 /nfs/dbraw/zinc/07/55/37/1003075537.db2.gz CYNGXWMGXQLNBH-UHFFFAOYSA-N -1 1 368.368 2.739 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cncc(Br)c2)c(F)c1F ZINC001186413406 1003299221 /nfs/dbraw/zinc/29/92/21/1003299221.db2.gz KSCCJNZTNNJWFS-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001186714769 1003396360 /nfs/dbraw/zinc/39/63/60/1003396360.db2.gz NGRICNJJLOCUOG-UFBFGSQYSA-N -1 1 361.236 2.927 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3C[C@H](CO)C[C@H](F)C3)c2)c1 ZINC001196308888 1003730861 /nfs/dbraw/zinc/73/08/61/1003730861.db2.gz CWXWFKGJIRBJKZ-KDOFPFPSSA-N -1 1 354.381 2.723 20 30 FFEDMM CC(=O)N[C@@H]1CCCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196319002 1003741487 /nfs/dbraw/zinc/74/14/87/1003741487.db2.gz NOFYGUVFTNREPD-LJQANCHMSA-N -1 1 363.417 2.672 20 30 FFEDMM N#Cc1ccc(NC(=O)c2ccc(OCC3CCOCC3)nc2)c([O-])c1 ZINC001191924383 1003998294 /nfs/dbraw/zinc/99/82/94/1003998294.db2.gz FVUAIPZDCGINHV-UHFFFAOYSA-N -1 1 353.378 2.717 20 30 FFEDMM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1F ZINC001192085484 1004043187 /nfs/dbraw/zinc/04/31/87/1004043187.db2.gz PPUZBGFARQYMRJ-HWPZZCPQSA-N -1 1 368.817 2.751 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)c1 ZINC001197120611 1004092765 /nfs/dbraw/zinc/09/27/65/1004092765.db2.gz LWXWQIDTPUVJQA-VMPITWQZSA-N -1 1 374.393 2.879 20 30 FFEDMM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cc(F)c1F ZINC001192678882 1004235854 /nfs/dbraw/zinc/23/58/54/1004235854.db2.gz NAWFSNNARWMYHD-INIZCTEOSA-N -1 1 361.344 2.741 20 30 FFEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482133 1004342552 /nfs/dbraw/zinc/34/25/52/1004342552.db2.gz MVOZRELNXRHHJK-UHFFFAOYSA-N -1 1 351.410 2.571 20 30 FFEDMM N#Cc1ccc(NC(=O)c2ncccc2OCC2CCOCC2)c([O-])c1 ZINC001197752817 1004352233 /nfs/dbraw/zinc/35/22/33/1004352233.db2.gz OYTZVNSPCZQUCF-UHFFFAOYSA-N -1 1 353.378 2.717 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n(-c2ccc(Br)cc2)n1 ZINC001193107319 1004375857 /nfs/dbraw/zinc/37/58/57/1004375857.db2.gz TUAUQMHSDJKOOX-JTQLQIEISA-N -1 1 369.244 2.597 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(cnn2Cc2ccc(F)cc2)c1 ZINC001193157333 1004393735 /nfs/dbraw/zinc/39/37/35/1004393735.db2.gz CDAXHVSZXFNTGM-GFCCVEGCSA-N -1 1 358.398 2.877 20 30 FFEDMM CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193230554 1004429828 /nfs/dbraw/zinc/42/98/28/1004429828.db2.gz UWQMHRIFPGHPCB-UHFFFAOYSA-N -1 1 359.769 2.543 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)OC ZINC001193580170 1004517235 /nfs/dbraw/zinc/51/72/35/1004517235.db2.gz BNZNSNRBVRJKBH-SECBINFHSA-N -1 1 370.229 2.919 20 30 FFEDMM C=C(C)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)OCC ZINC001194186935 1004675550 /nfs/dbraw/zinc/67/55/50/1004675550.db2.gz NQGYBQDGJZSNBZ-JTQLQIEISA-N -1 1 367.254 2.565 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2F)CC1 ZINC001195442401 1004960877 /nfs/dbraw/zinc/96/08/77/1004960877.db2.gz GSUMTZHTAZFOLR-UHFFFAOYSA-N -1 1 353.600 2.576 20 30 FFEDMM C=CCSc1ncccc1C(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001199736377 1005025912 /nfs/dbraw/zinc/02/59/12/1005025912.db2.gz OGRCFHYRYFZDNN-UHFFFAOYSA-N -1 1 360.399 2.572 20 30 FFEDMM N#Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc(O)cc2)c1 ZINC001195796980 1005045380 /nfs/dbraw/zinc/04/53/80/1005045380.db2.gz UDZCOOUYBXNPND-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nnn(C(C)(C)C)n2)cc1 ZINC000850761171 1005837111 /nfs/dbraw/zinc/83/71/11/1005837111.db2.gz IIKFGOCJKPAJBM-DOMZBBRYSA-N -1 1 368.441 2.903 20 30 FFEDMM CC(C)C[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC001188204963 1006463400 /nfs/dbraw/zinc/46/34/00/1006463400.db2.gz NUTCBQLNWNSAMH-AWEZNQCLSA-N -1 1 372.512 2.796 20 30 FFEDMM C[C@@H]1CCN(c2cc(C#N)nc3ccccc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853990253 1006618730 /nfs/dbraw/zinc/61/87/30/1006618730.db2.gz ZOEDIGAJCISTHP-ABAIWWIYSA-N -1 1 362.355 3.000 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C3OCCO3)c2)n1 ZINC000775241771 1007039121 /nfs/dbraw/zinc/03/91/21/1007039121.db2.gz XZRZWQYCAKOUNJ-CYBMUJFWSA-N -1 1 372.402 2.855 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)ccc1C#N ZINC001189696862 1007228380 /nfs/dbraw/zinc/22/83/80/1007228380.db2.gz GTAGMKYZJXFGSF-UHFFFAOYSA-N -1 1 366.345 2.565 20 30 FFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC001189824031 1007293877 /nfs/dbraw/zinc/29/38/77/1007293877.db2.gz CPLDVMQVNRWREZ-UHFFFAOYSA-N -1 1 366.345 2.565 20 30 FFEDMM CC[C@@]([N-]S(=O)(=O)c1c(C)cccc1C#N)(C(=O)OC)c1ccccc1 ZINC001190189386 1007491392 /nfs/dbraw/zinc/49/13/92/1007491392.db2.gz VRWQDIZDKIDHBC-IBGZPJMESA-N -1 1 372.446 2.624 20 30 FFEDMM COc1ccc(-c2ocnc2C(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001190226533 1007513411 /nfs/dbraw/zinc/51/34/11/1007513411.db2.gz YPKICXCRJCOYBD-UHFFFAOYSA-N -1 1 352.350 2.789 20 30 FFEDMM N#Cc1cc(F)cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC001190587746 1007711607 /nfs/dbraw/zinc/71/16/07/1007711607.db2.gz RDSDTASPLGEKTK-JTQLQIEISA-N -1 1 365.333 2.736 20 30 FFEDMM CC(C)(NC(=O)c1cnc(-c2ccccn2)[n-]c1=O)c1ccc(C#N)cc1 ZINC001190629146 1007727637 /nfs/dbraw/zinc/72/76/37/1007727637.db2.gz KMZDCBFOCYLRPO-UHFFFAOYSA-N -1 1 359.389 2.781 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000819686415 1008221475 /nfs/dbraw/zinc/22/14/75/1008221475.db2.gz MEXVXNAGLNVIMP-HZPDHXFCSA-N -1 1 359.426 2.830 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(C#N)cc2[O-])C[C@H](F)C1 ZINC001178891163 1009169683 /nfs/dbraw/zinc/16/96/83/1009169683.db2.gz WSKIEHLKNJHTEF-OLZOCXBDSA-N -1 1 363.389 2.797 20 30 FFEDMM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1c([O-])cccc1Cl)CC2 ZINC001274008275 1009246205 /nfs/dbraw/zinc/24/62/05/1009246205.db2.gz QTOXKSPMAVJXTD-CYBMUJFWSA-N -1 1 362.857 2.980 20 30 FFEDMM COC(=O)C[C@H]1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)[C@H]1C ZINC000794510836 1010173877 /nfs/dbraw/zinc/17/38/77/1010173877.db2.gz XHHUILBBSHUCDJ-WDEREUQCSA-N -1 1 374.445 2.664 20 30 FFEDMM COc1cccc([C@H](O)C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000863739690 1010312960 /nfs/dbraw/zinc/31/29/60/1010312960.db2.gz OFRQRAZDYWAZCK-HXUWFJFHSA-N -1 1 366.417 2.858 20 30 FFEDMM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3ccc(F)c([O-])c3)CC2)C1=O ZINC001274819129 1011681619 /nfs/dbraw/zinc/68/16/19/1011681619.db2.gz ZKHIUVQBQRRVBV-HXUWFJFHSA-N -1 1 360.429 2.952 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)ccnc1-2 ZINC001217059572 1032599372 /nfs/dbraw/zinc/59/93/72/1032599372.db2.gz BXZGFLMGPNZSOG-AWEZNQCLSA-N -1 1 374.326 2.639 20 30 FFEDMM C=CCN1C[C@]2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)OCC1=O ZINC001275235605 1012117346 /nfs/dbraw/zinc/11/73/46/1012117346.db2.gz CMERUSNVVUBVHV-QGZVFWFLSA-N -1 1 371.264 2.688 20 30 FFEDMM N#CC1(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CCSCC1 ZINC001137574144 1032628523 /nfs/dbraw/zinc/62/85/23/1032628523.db2.gz VFWUSOAGBHDZDN-UHFFFAOYSA-N -1 1 356.403 2.984 20 30 FFEDMM C=CCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000801412571 1018956642 /nfs/dbraw/zinc/95/66/42/1018956642.db2.gz MLCZFJZEKQGUPI-ZDUSSCGKSA-N -1 1 357.410 2.549 20 30 FFEDMM C[C@H](C#N)OCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000801810099 1019407422 /nfs/dbraw/zinc/40/74/22/1019407422.db2.gz CTMUGAJRILRBIJ-CQSZACIVSA-N -1 1 374.418 2.573 20 30 FFEDMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3C3CC3)cc2CC1=O ZINC000901972916 1019669133 /nfs/dbraw/zinc/66/91/33/1019669133.db2.gz FHPIXKMGCTZZED-UHFFFAOYSA-N -1 1 367.430 2.755 20 30 FFEDMM N#Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001045438978 1019966894 /nfs/dbraw/zinc/96/68/94/1019966894.db2.gz QRAMYOVHHIJBLU-HZPDHXFCSA-N -1 1 354.385 2.951 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001122400612 1023245384 /nfs/dbraw/zinc/24/53/84/1023245384.db2.gz SOSAYQWQZZCZGJ-AWEZNQCLSA-N -1 1 354.393 2.515 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001122400612 1023245394 /nfs/dbraw/zinc/24/53/94/1023245394.db2.gz SOSAYQWQZZCZGJ-AWEZNQCLSA-N -1 1 354.393 2.515 20 30 FFEDMM C#C[C@H]1CCCCN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CC(=C)C ZINC001122524955 1023318305 /nfs/dbraw/zinc/31/83/05/1023318305.db2.gz BHIVURIXWNIOHD-HNNXBMFYSA-N -1 1 364.453 2.886 20 30 FFEDMM C=C(C)CN(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CCCOCC ZINC001122572082 1023345063 /nfs/dbraw/zinc/34/50/63/1023345063.db2.gz LWMVGCVTRKCGOG-UHFFFAOYSA-N -1 1 372.473 2.757 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCSC[C@H]1C ZINC001121675832 1023920073 /nfs/dbraw/zinc/92/00/73/1023920073.db2.gz KZMUUCHHMXSNAZ-SNVBAGLBSA-N -1 1 351.863 2.827 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)[C@@H]1CCSC1 ZINC001121677446 1023920870 /nfs/dbraw/zinc/92/08/70/1023920870.db2.gz WCUBBZACPXWFPB-SNVBAGLBSA-N -1 1 351.863 2.827 20 30 FFEDMM C#C[C@@H](C)N(C)c1nnc(-c2cc(Cl)ncc2[O-])n1Cc1cc(C)on1 ZINC001123799777 1024041476 /nfs/dbraw/zinc/04/14/76/1024041476.db2.gz BGQFAMZDYFSJMS-SNVBAGLBSA-N -1 1 372.816 2.502 20 30 FFEDMM COc1cc(OC)nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC001124281866 1024317265 /nfs/dbraw/zinc/31/72/65/1024317265.db2.gz CLNGNFKGSBDIDW-SECBINFHSA-N -1 1 358.423 2.804 20 30 FFEDMM C[C@@H]1COCC[C@@H]1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000195266179 1024978699 /nfs/dbraw/zinc/97/86/99/1024978699.db2.gz NCAOCMMQGUQCDN-NTZNESFSSA-N -1 1 371.462 2.712 20 30 FFEDMM C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000837233885 1025670411 /nfs/dbraw/zinc/67/04/11/1025670411.db2.gz ASGAWQAFCAFMOZ-XJKSGUPXSA-N -1 1 373.453 2.887 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@@]12CCN(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC000839948734 1026876477 /nfs/dbraw/zinc/87/64/77/1026876477.db2.gz ZCZHQBDYZFQNIJ-FQEVSTJZSA-N -1 1 371.437 2.879 20 30 FFEDMM CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC(=O)CC ZINC000840715215 1027226800 /nfs/dbraw/zinc/22/68/00/1027226800.db2.gz NGQLKYKKKDZNIO-FNQPIQQGSA-N -1 1 372.373 2.629 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cc3cc(Br)ccn3n2)c([O-])c1 ZINC001153089267 1027768397 /nfs/dbraw/zinc/76/83/97/1027768397.db2.gz XIBSHVRVQOTQNQ-UHFFFAOYSA-N -1 1 357.167 2.926 20 30 FFEDMM CC(C)(C)OC(=O)N1CC(OCC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001161807257 1028322006 /nfs/dbraw/zinc/32/20/06/1028322006.db2.gz GNFYBPCVLYVQQD-UHFFFAOYSA-N -1 1 370.833 2.694 20 30 FFEDMM COc1cccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2ncccc2C)c1OC ZINC000784529158 1030668203 /nfs/dbraw/zinc/66/82/03/1030668203.db2.gz GBBKAQAIYGYTMJ-CYBMUJFWSA-N -1 1 361.348 2.880 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@@H](c2cccnc2)C1 ZINC000799881503 1031919804 /nfs/dbraw/zinc/91/98/04/1031919804.db2.gz NVVBSYWFBRYCRP-CYBMUJFWSA-N -1 1 374.422 2.982 20 30 FFEDMM N#Cc1ccccc1C[C@H](N)C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001218906732 1033403899 /nfs/dbraw/zinc/40/38/99/1033403899.db2.gz WHHGUBXZSKJKGM-ZDUSSCGKSA-N -1 1 354.460 2.965 20 30 FFEDMM C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=O)ncc1I ZINC001226772857 1034829702 /nfs/dbraw/zinc/82/97/02/1034829702.db2.gz DZROWBAHNPJKMG-VIFPVBQESA-N -1 1 358.179 2.770 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2Cl)[C@H](C#N)C1 ZINC001140338168 1035443076 /nfs/dbraw/zinc/44/30/76/1035443076.db2.gz YJUSGYOAGFKYLM-GFCCVEGCSA-N -1 1 351.834 2.990 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc([O-])c(C#N)c2C#N)[C@H](F)C1 ZINC001227614403 1035638445 /nfs/dbraw/zinc/63/84/45/1035638445.db2.gz FNFFDWDZDIZGEP-CZUORRHYSA-N -1 1 361.373 2.862 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@@H]2Oc1cc([O-])ccc1C#N ZINC001228005699 1035869820 /nfs/dbraw/zinc/86/98/20/1035869820.db2.gz QSXQKLZNSMZWEP-QFBILLFUSA-N -1 1 360.410 2.811 20 30 FFEDMM N#Cc1ccc(CN2CCn3c(Cc4ccc(F)cc4)nnc3C2)c([O-])c1 ZINC001233385993 1036589311 /nfs/dbraw/zinc/58/93/11/1036589311.db2.gz AOGFGRFNOLDIDS-UHFFFAOYSA-N -1 1 363.396 2.601 20 30 FFEDMM C#CCN1CC[C@@]2(CCN(Cc3ccc(Cl)c([O-])c3Cl)C2)C1=O ZINC001277829516 1036908575 /nfs/dbraw/zinc/90/85/75/1036908575.db2.gz FPSXKJXJFYVFFZ-QGZVFWFLSA-N -1 1 353.249 2.757 20 30 FFEDMM C=C1O[C@@H](C)C(=O)C1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124868 1036928292 /nfs/dbraw/zinc/92/82/92/1036928292.db2.gz LYAXKROGRKECJP-ZETCQYMHSA-N -1 1 370.313 2.661 20 30 FFEDMM COc1c(/C=C/C(=O)c2ccc([O-])cc2)ccc(O)c1OC(=O)C[C@@H](C)O ZINC001230154900 1037123893 /nfs/dbraw/zinc/12/38/93/1037123893.db2.gz WVZIJPOLOURCAQ-BIPYJSMBSA-N -1 1 372.373 2.679 20 30 FFEDMM O=C1CC(Oc2cc(/C=C3\COc4cc([O-])ccc4C3=O)ccc2O)C1 ZINC001234714369 1037152284 /nfs/dbraw/zinc/15/22/84/1037152284.db2.gz ISDKDPWOWNTING-LFYBBSHMSA-N -1 1 352.342 2.867 20 30 FFEDMM O=C1C=C[C@H](Oc2cc([O-])cc3c2C(=O)C[C@@H](c2c(O)cccc2O)O3)C1 ZINC001234720959 1037154589 /nfs/dbraw/zinc/15/45/89/1037154589.db2.gz LVJBMZBDNLCARH-SGTLLEGYSA-N -1 1 368.341 2.786 20 30 FFEDMM COc1cc([O-])cc(O[C@H]2CCOC2=O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234774996 1037176890 /nfs/dbraw/zinc/17/68/90/1037176890.db2.gz QABIGGKOIHPPTJ-RRGWEWPQSA-N -1 1 370.357 2.697 20 30 FFEDMM C=CCOC(=O)N[C@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236818112 1038290158 /nfs/dbraw/zinc/29/01/58/1038290158.db2.gz IWHURQQHPGIJRH-ZDUSSCGKSA-N -1 1 354.834 2.931 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C#N)c(F)cc1Cl ZINC001258282805 1039295985 /nfs/dbraw/zinc/29/59/85/1039295985.db2.gz ABEZBVOUBNQSSG-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259417805 1039987442 /nfs/dbraw/zinc/98/74/42/1039987442.db2.gz RJXXFYSGKGGXNM-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001213383706 1040497097 /nfs/dbraw/zinc/49/70/97/1040497097.db2.gz YVLLZCWTYBGFTL-CYBMUJFWSA-N -1 1 366.266 2.834 20 30 FFEDMM O=S(=O)([N-]CCCS)c1cc(Br)c(Cl)s1 ZINC001260493881 1040624058 /nfs/dbraw/zinc/62/40/58/1040624058.db2.gz DUNFECUBTYBDRW-UHFFFAOYSA-N -1 1 350.712 2.762 20 30 FFEDMM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC001213723034 1040839412 /nfs/dbraw/zinc/83/94/12/1040839412.db2.gz SIBSGWFDNKNKTG-KRWDZBQOSA-N -1 1 360.410 2.942 20 30 FFEDMM CCCc1ccc(S(=O)(=O)[N-]c2nc(C#N)c(C#N)nc2Cl)cc1 ZINC001255158251 1041175520 /nfs/dbraw/zinc/17/55/20/1041175520.db2.gz GELYBVJENIPGTR-UHFFFAOYSA-N -1 1 361.814 2.627 20 30 FFEDMM Cc1c(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cnn1-c1ccncc1 ZINC001263291554 1042224351 /nfs/dbraw/zinc/22/43/51/1042224351.db2.gz ACXBJFKNKSJVKB-OAHLLOKOSA-N -1 1 369.388 2.591 20 30 FFEDMM N#CCc1cccc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001309900019 1043581094 /nfs/dbraw/zinc/58/10/94/1043581094.db2.gz HELJUEVILGYGOA-UHFFFAOYSA-N -1 1 371.340 2.988 20 30 FFEDMM CCOC(=O)CN(CCC#N)Cc1c(Br)ccc([O-])c1F ZINC001238315638 1043648084 /nfs/dbraw/zinc/64/80/84/1043648084.db2.gz ZOXIKUSBHJTTKH-UHFFFAOYSA-N -1 1 359.195 2.573 20 30 FFEDMM C[C@H](Cc1ccccc1Cl)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001319467458 1045160636 /nfs/dbraw/zinc/16/06/36/1045160636.db2.gz IMEHHZGRYZNZNJ-LLVKDONJSA-N -1 1 362.838 2.784 20 30 FFEDMM Cc1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1-n1cccc1 ZINC001317913930 1045169962 /nfs/dbraw/zinc/16/99/62/1045169962.db2.gz XRXVCTYQAYIHDP-UHFFFAOYSA-N -1 1 365.414 2.665 20 30 FFEDMM C[C@H](CSCc1ccccc1)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001319545553 1045189355 /nfs/dbraw/zinc/18/93/55/1045189355.db2.gz LOJNGWFQVMJZSM-CYBMUJFWSA-N -1 1 374.487 2.821 20 30 FFEDMM C=C[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001320295209 1045384990 /nfs/dbraw/zinc/38/49/90/1045384990.db2.gz VYUJVEGMUGRIFM-QMMMGPOBSA-N -1 1 372.643 2.721 20 30 FFEDMM C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001289899930 1047783345 /nfs/dbraw/zinc/78/33/45/1047783345.db2.gz VEPQFSRZSZGVQS-CHWSQXEVSA-N -1 1 365.861 2.723 20 30 FFEDMM CC#CC[C@@H](NCc1c(C)nn(Cc2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC001334070863 1049230654 /nfs/dbraw/zinc/23/06/54/1049230654.db2.gz ZDXGQRWOHQBCGN-MRXNPFEDSA-N -1 1 363.820 2.989 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001342020039 1050618242 /nfs/dbraw/zinc/61/82/42/1050618242.db2.gz HGKXICDANVQLLL-KDOFPFPSSA-N -1 1 364.457 2.546 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001342020039 1050618246 /nfs/dbraw/zinc/61/82/46/1050618246.db2.gz HGKXICDANVQLLL-KDOFPFPSSA-N -1 1 364.457 2.546 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001343760041 1052405841 /nfs/dbraw/zinc/40/58/41/1052405841.db2.gz LTURWRJKWZRCSL-GDBMZVCRSA-N -1 1 372.473 2.735 20 30 FFEDMM N#CC(=C([O-])c1ccc(OCC2CC2)nc1)c1nc(N)c2ccccc2n1 ZINC001346054172 1052725779 /nfs/dbraw/zinc/72/57/79/1052725779.db2.gz NKBDFJPSWALICU-HNNXBMFYSA-N -1 1 359.389 2.886 20 30 FFEDMM C#CC[C@@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2Cc2cccs2)C1 ZINC001344736547 1052909117 /nfs/dbraw/zinc/90/91/17/1052909117.db2.gz PWKWSGDWNVNXRF-CYBMUJFWSA-N -1 1 368.466 2.723 20 30 FFEDMM COc1cccc([C@@H](C#N)NC(=O)c2cc(C)cc(C=O)c2[O-])c1OC ZINC001543062444 1071369779 /nfs/dbraw/zinc/36/97/79/1071369779.db2.gz CBPDFRLADNKNNC-OAHLLOKOSA-N -1 1 354.362 2.525 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001351819517 1055016773 /nfs/dbraw/zinc/01/67/73/1055016773.db2.gz PXWKYBPLACDOCD-AWEZNQCLSA-N -1 1 350.426 2.862 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@H](OC(C)C)C1 ZINC001351920294 1055064979 /nfs/dbraw/zinc/06/49/79/1055064979.db2.gz MGVOXGARTDDYLP-GFCCVEGCSA-N -1 1 363.849 2.889 20 30 FFEDMM C=CC[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)C(=O)[O-] ZINC001350760623 1055927126 /nfs/dbraw/zinc/92/71/26/1055927126.db2.gz ZDPZCKOVXMORPF-HOTGVXAUSA-N -1 1 365.861 2.805 20 30 FFEDMM Cc1cc(C=O)c([O-])c(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1 ZINC001445859014 1058450507 /nfs/dbraw/zinc/45/05/07/1058450507.db2.gz QWLITXCQTSTTQN-UHFFFAOYSA-N -1 1 360.373 2.705 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCC2CCC2)cc1Br ZINC001464421198 1062603053 /nfs/dbraw/zinc/60/30/53/1062603053.db2.gz VHWRIUWDNDNGPB-UHFFFAOYSA-N -1 1 361.236 2.928 20 30 FFEDMM C=CCO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001468110890 1063927025 /nfs/dbraw/zinc/92/70/25/1063927025.db2.gz XAWUCYOUBGOCLI-IAGOWNOFSA-N -1 1 360.454 2.946 20 30 FFEDMM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001471973096 1064874639 /nfs/dbraw/zinc/87/46/39/1064874639.db2.gz QZVJQIWDSQXZCP-UHFFFAOYSA-N -1 1 351.435 2.641 20 30 FFEDMM C=CCC[C@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)OCC ZINC001556642179 1075761648 /nfs/dbraw/zinc/76/16/48/1075761648.db2.gz DJPBNCAPKPSPSC-LBPRGKRZSA-N -1 1 356.216 2.782 20 30 FFEDMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)C ZINC001558479846 1076013783 /nfs/dbraw/zinc/01/37/83/1076013783.db2.gz OMBJGHIAHLKHIW-UHFFFAOYSA-N -1 1 356.447 2.971 20 30 FFEDMM CC(C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1cccs1 ZINC001561262511 1076353690 /nfs/dbraw/zinc/35/36/90/1076353690.db2.gz VLOFQLXBMSCNAT-UHFFFAOYSA-N -1 1 351.409 2.742 20 30 FFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001561584818 1076395316 /nfs/dbraw/zinc/39/53/16/1076395316.db2.gz OWXCTOPWWYVKIP-LBPRGKRZSA-N -1 1 352.200 2.808 20 30 FFEDMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001561939047 1076449624 /nfs/dbraw/zinc/44/96/24/1076449624.db2.gz PJJNLPSELYOAJX-SQFXPHBZSA-N -1 1 373.247 2.783 20 30 FFEDMM N#Cc1c(N)c(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)ccc1F ZINC001586393164 1079617865 /nfs/dbraw/zinc/61/78/65/1079617865.db2.gz PMMDHXADVDJZBR-UHFFFAOYSA-N -1 1 358.279 2.652 20 30 FFEDMM C#CCSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001587838195 1079874938 /nfs/dbraw/zinc/87/49/38/1079874938.db2.gz LCWWQKPVHPHPND-UHFFFAOYSA-N -1 1 360.460 2.792 20 30 FFEDMM C#Cc1cccc(N(CC)C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001588374608 1079997802 /nfs/dbraw/zinc/99/78/02/1079997802.db2.gz DAMQZBVPWBHAJS-UHFFFAOYSA-N -1 1 353.332 2.793 20 30 FFEDMM C#Cc1cccc(N(CC)C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001588374608 1079997808 /nfs/dbraw/zinc/99/78/08/1079997808.db2.gz DAMQZBVPWBHAJS-UHFFFAOYSA-N -1 1 353.332 2.793 20 30 FFEDMM C=C(C)CCC(=O)N[C@H](C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588415566 1080018501 /nfs/dbraw/zinc/01/85/01/1080018501.db2.gz NTQRZKKAAPMLCJ-RKDXNWHRSA-N -1 1 369.882 2.638 20 30 FFEDMM C=C(C)CCc1noc(-c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)n1 ZINC001588425052 1080024012 /nfs/dbraw/zinc/02/40/12/1080024012.db2.gz UJBYCORWKMDAAG-UHFFFAOYSA-N -1 1 351.292 2.839 20 30 FFEDMM C#CCN1CCC(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC001588476624 1080045011 /nfs/dbraw/zinc/04/50/11/1080045011.db2.gz PCYWJAOKVBTKON-UHFFFAOYSA-N -1 1 362.429 2.879 20 30 FFEDMM C=C[C@@H](OC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC001588525096 1080077123 /nfs/dbraw/zinc/07/71/23/1080077123.db2.gz BWRNPWLNZPJPFU-CYBMUJFWSA-N -1 1 374.445 2.523 20 30 FFEDMM C=CCCCC(=O)N(C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588583269 1080108705 /nfs/dbraw/zinc/10/87/05/1080108705.db2.gz WNQMEPMXSJTRCB-VIFPVBQESA-N -1 1 369.882 2.592 20 30 FFEDMM C=CCCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001588595930 1080117562 /nfs/dbraw/zinc/11/75/62/1080117562.db2.gz APDNFTQZQOFTGY-UHFFFAOYSA-N -1 1 370.392 2.669 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001588623795 1080126180 /nfs/dbraw/zinc/12/61/80/1080126180.db2.gz XUCCLAYUUIPWLX-OAHLLOKOSA-N -1 1 370.371 2.817 20 30 FFEDMM C=CCONC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001588689530 1080155856 /nfs/dbraw/zinc/15/58/56/1080155856.db2.gz MGBHZAIDFDAEFX-UHFFFAOYSA-N -1 1 356.411 2.512 20 30 FFEDMM CC(=Cc1ccc(C2(C#N)CC2)cc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588770384 1080188122 /nfs/dbraw/zinc/18/81/22/1080188122.db2.gz LJVOQSPMIXZWGK-LUAWRHEFSA-N -1 1 359.393 2.786 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1NCc1cc(OC)c(C(=O)[O-])cc1Br ZINC001588920009 1080266169 /nfs/dbraw/zinc/26/61/69/1080266169.db2.gz RQTNBYVVFCMDII-OLZOCXBDSA-N -1 1 356.216 2.589 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001588934109 1080271321 /nfs/dbraw/zinc/27/13/21/1080271321.db2.gz DVQWIRYCBBUNJV-SNVBAGLBSA-N -1 1 354.395 2.964 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001588934109 1080271327 /nfs/dbraw/zinc/27/13/27/1080271327.db2.gz DVQWIRYCBBUNJV-SNVBAGLBSA-N -1 1 354.395 2.964 20 30 FFEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589625830 1080640513 /nfs/dbraw/zinc/64/05/13/1080640513.db2.gz JALXLIMTONYOLK-UHFFFAOYSA-N -1 1 350.382 2.630 20 30 FFEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589625830 1080640520 /nfs/dbraw/zinc/64/05/20/1080640520.db2.gz JALXLIMTONYOLK-UHFFFAOYSA-N -1 1 350.382 2.630 20 30 FFEDMM CC(C)OCCON=c1[nH]c2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589748303 1080699753 /nfs/dbraw/zinc/69/97/53/1080699753.db2.gz BWVUDCJZSICSRF-UHFFFAOYSA-N -1 1 371.445 2.561 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COC)c2)c1 ZINC000077704774 210069267 /nfs/dbraw/zinc/06/92/67/210069267.db2.gz JIVOQLPCIYMFHD-UHFFFAOYSA-N -1 1 360.435 2.550 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc(C(F)(F)F)cs1 ZINC000287304144 257082374 /nfs/dbraw/zinc/08/23/74/257082374.db2.gz JRQDQESQZHHPJP-ZCFIWIBFSA-N -1 1 351.331 2.666 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410372114 512246835 /nfs/dbraw/zinc/24/68/35/512246835.db2.gz HIWSBKLOBWTZHC-UHFFFAOYSA-N -1 1 366.826 2.805 20 30 FFEDMM CC1CCC(N2C[C@@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2=O)CC1 ZINC000066827421 506654420 /nfs/dbraw/zinc/65/44/20/506654420.db2.gz PKLUQOHBKCFYSG-KYHHOPLUSA-N -1 1 359.352 2.839 20 30 FFEDMM C=CCOc1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1OC ZINC000067079279 506749120 /nfs/dbraw/zinc/74/91/20/506749120.db2.gz PDNLOPIXEJNQAF-UHFFFAOYSA-N -1 1 374.466 2.821 20 30 FFEDMM C[C@@H](C#N)CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000045851225 507033722 /nfs/dbraw/zinc/03/37/22/507033722.db2.gz DQWFYYJARKJJPY-AWEZNQCLSA-N -1 1 357.435 2.719 20 30 FFEDMM Cc1c(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)nnn1-c1ccccc1 ZINC000057155111 507187877 /nfs/dbraw/zinc/18/78/77/507187877.db2.gz YDFBUUHOCHYZJF-UHFFFAOYSA-N -1 1 351.292 2.543 20 30 FFEDMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000022095434 507279136 /nfs/dbraw/zinc/27/91/36/507279136.db2.gz LPMXXBUKHKCQJX-UHFFFAOYSA-N -1 1 371.447 2.639 20 30 FFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1-n1ncc(C#N)c1N ZINC000024578345 507421190 /nfs/dbraw/zinc/42/11/90/507421190.db2.gz PLTCGZHBVWZUSX-UHFFFAOYSA-N -1 1 371.397 2.575 20 30 FFEDMM CC(C)n1ncc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cnc21 ZINC000064101995 507784989 /nfs/dbraw/zinc/78/49/89/507784989.db2.gz KTFRZDQDMJDQIP-HNNXBMFYSA-N -1 1 363.425 2.820 20 30 FFEDMM COCc1nc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc2o1 ZINC000080299963 508063879 /nfs/dbraw/zinc/06/38/79/508063879.db2.gz ZTNDFYQHWKNVKD-UHFFFAOYSA-N -1 1 357.391 2.955 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673331 508335464 /nfs/dbraw/zinc/33/54/64/508335464.db2.gz OOXAPXZIQUFSKW-UHFFFAOYSA-N -1 1 370.434 2.975 20 30 FFEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000116801548 508564080 /nfs/dbraw/zinc/56/40/80/508564080.db2.gz MDJBQPHPKNWOAP-SJKOYZFVSA-N -1 1 367.471 2.559 20 30 FFEDMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000117739326 508615710 /nfs/dbraw/zinc/61/57/10/508615710.db2.gz NUHHOBHNPCJHES-OAQYLSRUSA-N -1 1 354.840 2.750 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)ccc1Cl ZINC000117739577 508615736 /nfs/dbraw/zinc/61/57/36/508615736.db2.gz UBDDZMGCLXUFMK-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c(F)c1 ZINC000158011439 508644899 /nfs/dbraw/zinc/64/48/99/508644899.db2.gz DOROSFPOTKLNHC-UHFFFAOYSA-N -1 1 368.773 2.923 20 30 FFEDMM N#CC(=C([O-])c1ccc(N2CCCC2)nn1)c1ccc(C(F)(F)F)cn1 ZINC000118912011 508692600 /nfs/dbraw/zinc/69/26/00/508692600.db2.gz BBEILRVKNHNIMY-GFCCVEGCSA-N -1 1 361.327 2.981 20 30 FFEDMM C=C(C)CNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000119070671 508719061 /nfs/dbraw/zinc/71/90/61/508719061.db2.gz PZTFAQNDHXQNFR-UHFFFAOYSA-N -1 1 359.451 2.863 20 30 FFEDMM COc1cc(F)c([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1OC ZINC000137474213 508757459 /nfs/dbraw/zinc/75/74/59/508757459.db2.gz DTXVUZBDEYFNJB-UHFFFAOYSA-N -1 1 350.371 2.824 20 30 FFEDMM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1c(C)noc1C ZINC000119261760 508760381 /nfs/dbraw/zinc/76/03/81/508760381.db2.gz VIJVKOCLSRAWIA-LBPRGKRZSA-N -1 1 364.383 2.501 20 30 FFEDMM N#CC1(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)CCCCC1 ZINC000127024574 509159568 /nfs/dbraw/zinc/15/95/68/509159568.db2.gz XCAFQCKIQDHJCO-UHFFFAOYSA-N -1 1 360.361 2.636 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000195525813 509205847 /nfs/dbraw/zinc/20/58/47/509205847.db2.gz GIZBHQZIGFUJGM-HNNXBMFYSA-N -1 1 357.435 2.828 20 30 FFEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)CCOC(C)C)cc1 ZINC000267302236 509437671 /nfs/dbraw/zinc/43/76/71/509437671.db2.gz KFNTYSNVHDNUDZ-UHFFFAOYSA-N -1 1 366.483 2.668 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000265384381 510024952 /nfs/dbraw/zinc/02/49/52/510024952.db2.gz RCXZLOVABZVSOR-RBZFPXEDSA-N -1 1 365.437 2.684 20 30 FFEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc2c(c1)OCCO2 ZINC000187668009 510377583 /nfs/dbraw/zinc/37/75/83/510377583.db2.gz GTQYKTUONWALCU-UHFFFAOYSA-N -1 1 352.390 2.743 20 30 FFEDMM COc1cccc(N2CC[C@H](CNC(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000187969141 510526854 /nfs/dbraw/zinc/52/68/54/510526854.db2.gz IAVRLEOXNNPQCY-CQSZACIVSA-N -1 1 351.406 2.529 20 30 FFEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000181837142 510619889 /nfs/dbraw/zinc/61/98/89/510619889.db2.gz GYRCWBBBEVIFKG-UHFFFAOYSA-N -1 1 351.366 2.585 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c(F)c1 ZINC000188480117 510788678 /nfs/dbraw/zinc/78/86/78/510788678.db2.gz NGHBDQXACOJYJK-UHFFFAOYSA-N -1 1 354.366 2.955 20 30 FFEDMM C#CC[C@@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000270481400 510883480 /nfs/dbraw/zinc/88/34/80/510883480.db2.gz OGNRJWUZXSEYBE-GOSISDBHSA-N -1 1 362.433 2.865 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(C)(C#N)C3)cc2)cc1 ZINC000280498642 511489058 /nfs/dbraw/zinc/48/90/58/511489058.db2.gz PLKOCMXTQWPTCF-UHFFFAOYSA-N -1 1 369.446 2.782 20 30 FFEDMM COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])c1 ZINC000326386212 511857841 /nfs/dbraw/zinc/85/78/41/511857841.db2.gz ZVOXQQFABVSNJJ-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM C[C@@H](CC#N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364134656 511977259 /nfs/dbraw/zinc/97/72/59/511977259.db2.gz OLTDIPANOAUTCV-GUYCJALGSA-N -1 1 351.406 2.568 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1C#N ZINC000386956693 512891694 /nfs/dbraw/zinc/89/16/94/512891694.db2.gz OJDKBMBRSVXIIZ-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000439622217 513152627 /nfs/dbraw/zinc/15/26/27/513152627.db2.gz DOUYZIFLCUYODS-UHFFFAOYSA-N -1 1 358.379 2.638 20 30 FFEDMM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000425189978 513443588 /nfs/dbraw/zinc/44/35/88/513443588.db2.gz PODUPHJSSYCWJT-UHFFFAOYSA-N -1 1 356.444 2.578 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000435592577 513627918 /nfs/dbraw/zinc/62/79/18/513627918.db2.gz LYELUSMCBZBBSN-GXFFZTMASA-N -1 1 360.819 2.508 20 30 FFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(C(=O)N4CCCC4)n3)[nH]c21 ZINC000442732388 513760745 /nfs/dbraw/zinc/76/07/45/513760745.db2.gz MHSZUEFWEAGVRK-AWEZNQCLSA-N -1 1 373.416 2.992 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)c1 ZINC000436186375 513788862 /nfs/dbraw/zinc/78/88/62/513788862.db2.gz XVDOCPSPOFHMRP-UHFFFAOYSA-N -1 1 364.398 2.551 20 30 FFEDMM COC(=O)c1ccc([O-])c(NC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000436504466 513876464 /nfs/dbraw/zinc/87/64/64/513876464.db2.gz KRAJGNMJLXZTED-UHFFFAOYSA-N -1 1 356.403 2.922 20 30 FFEDMM Cc1cn(C)nc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000420232057 514056684 /nfs/dbraw/zinc/05/66/84/514056684.db2.gz LDNINJAQAHADDW-LLVKDONJSA-N -1 1 367.434 2.808 20 30 FFEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)n[nH]1 ZINC000427138672 514126579 /nfs/dbraw/zinc/12/65/79/514126579.db2.gz ZYPAWWHRXDUVSJ-UHFFFAOYSA-N -1 1 357.370 2.592 20 30 FFEDMM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2OC)ccc1C#N ZINC000417588149 514425054 /nfs/dbraw/zinc/42/50/54/514425054.db2.gz UNCVJVJDWMDZFR-MRXNPFEDSA-N -1 1 370.405 2.890 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(C#N)c1C ZINC000433329837 514460618 /nfs/dbraw/zinc/46/06/18/514460618.db2.gz ZMFJVNMXRKKWRS-UHFFFAOYSA-N -1 1 373.416 2.892 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c(Cl)c1 ZINC000502813149 514790712 /nfs/dbraw/zinc/79/07/12/514790712.db2.gz SYZVHRZTJDKVLV-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000468583272 515423691 /nfs/dbraw/zinc/42/36/91/515423691.db2.gz DNCKNEKSWDGSFD-CQSZACIVSA-N -1 1 373.434 2.528 20 30 FFEDMM CCNc1ccc(C#N)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000468821346 515535531 /nfs/dbraw/zinc/53/55/31/515535531.db2.gz DTMCVFMQMYRBKO-UHFFFAOYSA-N -1 1 351.409 2.551 20 30 FFEDMM COc1ccc(CCNC(=O)c2ccc(C#N)c([O-])c2)c(Cl)c1OC ZINC000500511856 515747307 /nfs/dbraw/zinc/74/73/07/515747307.db2.gz AFGZIXRDLNYQAE-UHFFFAOYSA-N -1 1 360.797 2.907 20 30 FFEDMM N#Cc1ccnc(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)c1 ZINC000487542924 515899221 /nfs/dbraw/zinc/89/92/21/515899221.db2.gz WMCIIQMHOVBYQZ-UHFFFAOYSA-N -1 1 374.223 2.842 20 30 FFEDMM N#CC(=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2)c1cnc2ccccc2n1 ZINC000483234512 515997161 /nfs/dbraw/zinc/99/71/61/515997161.db2.gz VXKXCWXQTFQOLD-NSHDSACASA-N -1 1 362.301 2.757 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)o1 ZINC000561496354 516617347 /nfs/dbraw/zinc/61/73/47/516617347.db2.gz OZEVCAWTTOLOMN-UHFFFAOYSA-N -1 1 353.812 2.893 20 30 FFEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2)CC1 ZINC000540647063 516653102 /nfs/dbraw/zinc/65/31/02/516653102.db2.gz FJRYBVOPBQBTLK-UHFFFAOYSA-N -1 1 356.403 2.564 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000548211741 516829534 /nfs/dbraw/zinc/82/95/34/516829534.db2.gz KGXCMRSQJIGCRS-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000514981625 517153394 /nfs/dbraw/zinc/15/33/94/517153394.db2.gz BLOWAMIMDDTXOC-UHFFFAOYSA-N -1 1 356.407 2.643 20 30 FFEDMM CC(C)(C)CC[C@](C)(NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000560079095 517568424 /nfs/dbraw/zinc/56/84/24/517568424.db2.gz YEBLSXSKGGLRCD-INIZCTEOSA-N -1 1 374.409 2.784 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CCC(=O)[O-])c(F)c1 ZINC000556702950 517583783 /nfs/dbraw/zinc/58/37/83/517583783.db2.gz GWZYJPVFPZOCBE-BXUZGUMPSA-N -1 1 372.393 2.538 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)o1 ZINC000516592378 517759155 /nfs/dbraw/zinc/75/91/55/517759155.db2.gz RZMMTFBOGNGORD-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM N#Cc1c(F)cccc1N1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000539406952 518033503 /nfs/dbraw/zinc/03/35/03/518033503.db2.gz DMWCQVMPQMSUOP-UHFFFAOYSA-N -1 1 361.323 2.644 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000572692851 518313478 /nfs/dbraw/zinc/31/34/78/518313478.db2.gz VBSSRXZPBYCAMO-AEFFLSMTSA-N -1 1 358.438 2.984 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000579017012 518481702 /nfs/dbraw/zinc/48/17/02/518481702.db2.gz GVBLJBDIHAUWRP-UHFFFAOYSA-N -1 1 368.418 2.958 20 30 FFEDMM N#CCCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000567579092 518594757 /nfs/dbraw/zinc/59/47/57/518594757.db2.gz HIIXEWJHEWVNAH-AWEZNQCLSA-N -1 1 360.395 2.703 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c1 ZINC000588055454 518711772 /nfs/dbraw/zinc/71/17/72/518711772.db2.gz DSWBROMEBMFPOA-UHFFFAOYSA-N -1 1 359.332 2.631 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000589169716 518938642 /nfs/dbraw/zinc/93/86/42/518938642.db2.gz IXZIVCUJLSQXNT-UHFFFAOYSA-N -1 1 351.284 2.530 20 30 FFEDMM CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000590773795 519361450 /nfs/dbraw/zinc/36/14/50/519361450.db2.gz UNSQXKRTMJIPJR-UHFFFAOYSA-N -1 1 363.417 2.527 20 30 FFEDMM C=CCC[C@@H](C(=O)N[C@H](C)c1n[n-]c(C(=O)OCC)n1)c1ccccc1 ZINC000603156052 520119098 /nfs/dbraw/zinc/11/90/98/520119098.db2.gz PVIYJVWLWMJEQW-UKRRQHHQSA-N -1 1 356.426 2.909 20 30 FFEDMM C=CCC[C@@H](C(=O)N[C@H](C)c1nnc(C(=O)OCC)[n-]1)c1ccccc1 ZINC000603156052 520119106 /nfs/dbraw/zinc/11/91/06/520119106.db2.gz PVIYJVWLWMJEQW-UKRRQHHQSA-N -1 1 356.426 2.909 20 30 FFEDMM C=CCC[C@@H](C(=O)N[C@H](C)c1nc(C(=O)OCC)n[n-]1)c1ccccc1 ZINC000603156052 520119112 /nfs/dbraw/zinc/11/91/12/520119112.db2.gz PVIYJVWLWMJEQW-UKRRQHHQSA-N -1 1 356.426 2.909 20 30 FFEDMM CC(C)(F)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000594851335 520187414 /nfs/dbraw/zinc/18/74/14/520187414.db2.gz HRVBFTMKKWIVSP-UHFFFAOYSA-N -1 1 367.215 2.876 20 30 FFEDMM C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000617037210 520296240 /nfs/dbraw/zinc/29/62/40/520296240.db2.gz JLZMVJZJRABIDX-YJBOKZPZSA-N -1 1 366.465 2.934 20 30 FFEDMM Cc1sc([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)c(C#N)c1C ZINC000609496375 520333249 /nfs/dbraw/zinc/33/32/49/520333249.db2.gz QKOVTODAYDNVDJ-UHFFFAOYSA-N -1 1 369.493 2.801 20 30 FFEDMM C=CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)[C@H](C)COC ZINC000617578768 520589749 /nfs/dbraw/zinc/58/97/49/520589749.db2.gz QJGMRYXADABLOM-CQSZACIVSA-N -1 1 370.453 2.535 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000610339549 520641995 /nfs/dbraw/zinc/64/19/95/520641995.db2.gz ZQAGOPAEBTXSFQ-JTQLQIEISA-N -1 1 352.362 2.885 20 30 FFEDMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593199282 520821787 /nfs/dbraw/zinc/82/17/87/520821787.db2.gz HZAIZAPCPXHTIQ-UHFFFAOYSA-N -1 1 371.462 2.957 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)ccc1C#N ZINC000618086969 520874563 /nfs/dbraw/zinc/87/45/63/520874563.db2.gz UPDQCJMKZLCBJU-UHFFFAOYSA-N -1 1 369.446 2.790 20 30 FFEDMM COc1cccc(N2CC[C@@H](CNC(=O)c3cc([O-])cc(C#N)c3)C2)c1 ZINC000614298514 520896697 /nfs/dbraw/zinc/89/66/97/520896697.db2.gz QVVNJLVZMUWXDU-AWEZNQCLSA-N -1 1 351.406 2.529 20 30 FFEDMM COc1cc2[n-]cc(C(=O)N(CCC#N)CC(C)(C)C)c(=O)c2c(OC)c1 ZINC000599349296 521167060 /nfs/dbraw/zinc/16/70/60/521167060.db2.gz GKCHRDCPANOAGZ-UHFFFAOYSA-N -1 1 371.437 2.947 20 30 FFEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000611619568 521252254 /nfs/dbraw/zinc/25/22/54/521252254.db2.gz SQYFHGNZDGNLRF-UHFFFAOYSA-N -1 1 357.682 2.992 20 30 FFEDMM COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)sc1C ZINC000619421150 521558934 /nfs/dbraw/zinc/55/89/34/521558934.db2.gz SSFZYOLVVSOPKY-AWEZNQCLSA-N -1 1 371.418 2.793 20 30 FFEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000619595973 521789408 /nfs/dbraw/zinc/78/94/08/521789408.db2.gz HKRRTGMXBAHADT-SNVBAGLBSA-N -1 1 363.233 2.990 20 30 FFEDMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000619617833 521797586 /nfs/dbraw/zinc/79/75/86/521797586.db2.gz JAQVYEMRABEXKE-QGZVFWFLSA-N -1 1 372.808 2.821 20 30 FFEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000619790087 521873977 /nfs/dbraw/zinc/87/39/77/521873977.db2.gz XPDYBUZUOQZOCJ-MRXNPFEDSA-N -1 1 372.856 2.900 20 30 FFEDMM CN1C(=O)COc2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc21 ZINC000626467354 522212124 /nfs/dbraw/zinc/21/21/24/522212124.db2.gz PGWCDGWELMQMEK-GFCCVEGCSA-N -1 1 353.403 2.866 20 30 FFEDMM COCc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000737017813 599128581 /nfs/dbraw/zinc/12/85/81/599128581.db2.gz SBFNTLHIUCTFEN-UHFFFAOYSA-N -1 1 355.402 2.745 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(OC(F)(F)F)c2)o1 ZINC000737467470 598537968 /nfs/dbraw/zinc/53/79/68/598537968.db2.gz PQBPUQJCHDNOOH-UHFFFAOYSA-N -1 1 353.264 2.508 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(C)c(C)cc2OC(F)F)o1 ZINC000822423054 599338552 /nfs/dbraw/zinc/33/85/52/599338552.db2.gz HLPPHVHCQGMEMQ-UHFFFAOYSA-N -1 1 363.328 2.827 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736199677 600292497 /nfs/dbraw/zinc/29/24/97/600292497.db2.gz LEHRSFMASHIENW-WMLDXEAASA-N -1 1 373.428 2.648 20 30 FFEDMM C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(CCC(=O)[O-])CC1 ZINC000828206587 601845812 /nfs/dbraw/zinc/84/58/12/601845812.db2.gz BDPLIFVGTHPPHP-LFDOHDQPSA-N -1 1 363.502 2.883 20 30 FFEDMM C#CCNC(=O)C1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000825618892 602036301 /nfs/dbraw/zinc/03/63/01/602036301.db2.gz HAZARWRRLMNQTF-OAHLLOKOSA-N -1 1 369.248 2.581 20 30 FFEDMM Cc1cc(C(C#N)C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])nc(C)n1 ZINC000829980524 604219411 /nfs/dbraw/zinc/21/94/11/604219411.db2.gz PCQAQBBOLQDZRP-CVEARBPZSA-N -1 1 352.394 2.539 20 30 FFEDMM COc1cc(OC)c(CN=Nc2ccc(C(=O)[O-])cc2OC)c(OC)c1 ZINC000756906289 604630762 /nfs/dbraw/zinc/63/07/62/604630762.db2.gz YNOGGIJUUQSBSX-UHFFFAOYSA-N -1 1 360.366 2.865 20 30 FFEDMM C=CCC[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000833372980 605056016 /nfs/dbraw/zinc/05/60/16/605056016.db2.gz CAZPEYFKHOQQRS-WMZOPIPTSA-N -1 1 359.470 2.884 20 30 FFEDMM CCS(=O)(=O)Nc1ccc(C(C)=NNc2ccccc2C(=O)[O-])cc1 ZINC000729635208 605098130 /nfs/dbraw/zinc/09/81/30/605098130.db2.gz HYDAHLILIKHLMK-UHFFFAOYSA-N -1 1 361.423 2.983 20 30 FFEDMM C=CCNc1nnc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC000819750449 606439407 /nfs/dbraw/zinc/43/94/07/606439407.db2.gz FCBRAFGTAAQULZ-UHFFFAOYSA-N -1 1 352.836 2.516 20 30 FFEDMM C=CCNc1nnc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC000819750449 606439408 /nfs/dbraw/zinc/43/94/08/606439408.db2.gz FCBRAFGTAAQULZ-UHFFFAOYSA-N -1 1 352.836 2.516 20 30 FFEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819743658 606529011 /nfs/dbraw/zinc/52/90/11/606529011.db2.gz NMAMCZOVCQQNTJ-UHFFFAOYSA-N -1 1 355.423 2.765 20 30 FFEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819743658 606529013 /nfs/dbraw/zinc/52/90/13/606529013.db2.gz NMAMCZOVCQQNTJ-UHFFFAOYSA-N -1 1 355.423 2.765 20 30 FFEDMM CCCOc1ccc2[nH]cc(CN=Nc3oc(C)nc3-c3nn[n-]n3)c2c1 ZINC000825342122 608534163 /nfs/dbraw/zinc/53/41/63/608534163.db2.gz NHZHXHLCFBCAOZ-UHFFFAOYSA-N -1 1 366.385 2.879 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(C#N)c(F)c1 ZINC000823962321 609159773 /nfs/dbraw/zinc/15/97/73/609159773.db2.gz JFHLYGMKIFRUJQ-UHFFFAOYSA-N -1 1 368.376 2.999 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(SC(F)F)cc2)o1 ZINC000826322910 609373677 /nfs/dbraw/zinc/37/36/77/609373677.db2.gz GYUWZEJNSWUQPQ-UHFFFAOYSA-N -1 1 351.342 2.924 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000746492073 735487611 /nfs/dbraw/zinc/48/76/11/735487611.db2.gz RCGIYRICAVKMCZ-UHFFFAOYSA-N -1 1 351.359 2.578 20 30 FFEDMM COc1ccnc(N=NC(C)c2cc(Br)c(F)cc2[O-])n1 ZINC000746565961 735494397 /nfs/dbraw/zinc/49/43/97/735494397.db2.gz RTGFFSKEJZRNNW-UHFFFAOYSA-N -1 1 355.167 2.929 20 30 FFEDMM CC#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000126501567 728703810 /nfs/dbraw/zinc/70/38/10/728703810.db2.gz SQNBEHQIZVNLCO-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000185345727 729347431 /nfs/dbraw/zinc/34/74/31/729347431.db2.gz OMSJNOBCXJCORO-CYBMUJFWSA-N -1 1 360.410 2.686 20 30 FFEDMM CCC(Nc1cccc(C#N)c1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000192697835 729456303 /nfs/dbraw/zinc/45/63/03/729456303.db2.gz UJJGNLHJPWIKBZ-CCEZHUSRSA-N -1 1 356.451 2.534 20 30 FFEDMM CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])[C@@H](C)C#N ZINC000856075907 730302715 /nfs/dbraw/zinc/30/27/15/730302715.db2.gz SAQIZPZOIARTNT-VIFPVBQESA-N -1 1 359.304 2.877 20 30 FFEDMM COCC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000857620614 730402351 /nfs/dbraw/zinc/40/23/51/730402351.db2.gz LBQGYHDQRTYSKY-CYBMUJFWSA-N -1 1 361.186 2.976 20 30 FFEDMM [O-]c1c(O)cc(C=NNCC(F)(F)C(F)(F)F)cc1Br ZINC000863181255 730754192 /nfs/dbraw/zinc/75/41/92/730754192.db2.gz LGYRRZAQXLLGPS-UHFFFAOYSA-N -1 1 363.080 2.981 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c(F)cc1F ZINC000872009203 731718792 /nfs/dbraw/zinc/71/87/92/731718792.db2.gz VJHDDGOQZQFIBD-UHFFFAOYSA-N -1 1 352.366 2.949 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000882709673 733276030 /nfs/dbraw/zinc/27/60/30/733276030.db2.gz PQKPXOGSMYUCLR-QFIPXVFZSA-N -1 1 355.485 2.954 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cnc(-c3ccccc3)s2)c2ccccc21 ZINC000727255145 734474229 /nfs/dbraw/zinc/47/42/29/734474229.db2.gz DTWUEGQNJWJHRX-UHFFFAOYSA-N -1 1 368.443 2.883 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCOc3ccc(Cl)cc32)c2ccccc21 ZINC000783824112 738839914 /nfs/dbraw/zinc/83/99/14/738839914.db2.gz NVPBLLZRLZYKBM-UHFFFAOYSA-N -1 1 361.810 2.565 20 30 FFEDMM C#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000733288545 734804314 /nfs/dbraw/zinc/80/43/14/734804314.db2.gz PYANUJGQIKIUOU-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM C=CCOc1c(Cl)cc(CN2CC[C@H](OC)C[C@H]2C(=O)[O-])cc1OC ZINC000902031923 735895484 /nfs/dbraw/zinc/89/54/84/735895484.db2.gz IKJUGBMDSWODPO-ZFWWWQNUSA-N -1 1 369.845 2.977 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751731877 735912685 /nfs/dbraw/zinc/91/26/85/735912685.db2.gz PGFZTXMJZUYWHC-FVMDXXJSSA-N -1 1 356.781 2.784 20 30 FFEDMM C#C[C@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000754366809 736151947 /nfs/dbraw/zinc/15/19/47/736151947.db2.gz MBVHYLUXTPGQQZ-OAHLLOKOSA-N -1 1 360.410 2.768 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000755891858 736286418 /nfs/dbraw/zinc/28/64/18/736286418.db2.gz NBJWTCGDXIWVLS-UHFFFAOYSA-N -1 1 355.322 2.576 20 30 FFEDMM [O-]c1c(O)cc(C=NNC(=S)Nc2cccnc2)cc1Br ZINC000757560217 736410115 /nfs/dbraw/zinc/41/01/15/736410115.db2.gz KYEHWWMYCFKSNY-UHFFFAOYSA-N -1 1 367.228 2.576 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(F)ccc1C#N ZINC000759358906 736564351 /nfs/dbraw/zinc/56/43/51/736564351.db2.gz USHCGWXCNHPSIK-UHFFFAOYSA-N -1 1 362.382 2.816 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(Br)cc1F ZINC000760153692 736618246 /nfs/dbraw/zinc/61/82/46/736618246.db2.gz LFNSVKBLBQGFNX-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000907953183 736694812 /nfs/dbraw/zinc/69/48/12/736694812.db2.gz OTQPZNVJCRXZEM-UHFFFAOYSA-N -1 1 353.831 2.976 20 30 FFEDMM COCCCNC(=S)NN=C(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000765994987 737181582 /nfs/dbraw/zinc/18/15/82/737181582.db2.gz MQUZASMIPJUWRA-UHFFFAOYSA-N -1 1 350.271 2.924 20 30 FFEDMM COc1cccc2cc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)oc21 ZINC000914599689 737585901 /nfs/dbraw/zinc/58/59/01/737585901.db2.gz GVZAZGQTSOHVAQ-UHFFFAOYSA-N -1 1 355.375 2.514 20 30 FFEDMM Cc1cc(Br)cc2c1NC(=O)C2=N[N-]c1cncc(Cl)n1 ZINC000915050603 737604318 /nfs/dbraw/zinc/60/43/18/737604318.db2.gz BZEFCMHMXIJJMW-UHFFFAOYSA-N -1 1 366.606 2.969 20 30 FFEDMM COc1c([O-])c(C=NNc2cncc(Br)c2)ccc1[N+](=O)[O-] ZINC000773078917 737869348 /nfs/dbraw/zinc/86/93/48/737869348.db2.gz HSHIFWYKRGEIPY-UHFFFAOYSA-N -1 1 367.159 2.913 20 30 FFEDMM CSc1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1C#N ZINC000923980970 738352022 /nfs/dbraw/zinc/35/20/22/738352022.db2.gz BQPAMLXIEIWOGK-UHFFFAOYSA-N -1 1 360.464 2.736 20 30 FFEDMM CCN1c2ccccc2C(=NN=c2[n-]nc(-c3ccccn3)s2)C1=O ZINC000788031119 739199342 /nfs/dbraw/zinc/19/93/42/739199342.db2.gz VQFYZNBSXWOTNZ-UHFFFAOYSA-N -1 1 350.407 2.783 20 30 FFEDMM COc1ccc(NC(=S)NN=Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000790161340 739423389 /nfs/dbraw/zinc/42/33/89/739423389.db2.gz FNFKBASFRAMFEI-UHFFFAOYSA-N -1 1 354.794 2.909 20 30 FFEDMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000794590461 739907861 /nfs/dbraw/zinc/90/78/61/739907861.db2.gz RBCBHZUCFAIANZ-UHFFFAOYSA-N -1 1 364.810 2.993 20 30 FFEDMM Cc1sc2ncn([N-]C(=O)c3cc(C#N)ccc3Cl)c(=O)c2c1C ZINC000794626234 739912092 /nfs/dbraw/zinc/91/20/92/739912092.db2.gz WGNCOUKBGBHGGV-UHFFFAOYSA-N -1 1 358.810 2.984 20 30 FFEDMM CC(=O)c1ccc(C#N)cc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811856464 741568148 /nfs/dbraw/zinc/56/81/48/741568148.db2.gz PJBFIVWEHCIWPU-ZDUSSCGKSA-N -1 1 353.344 2.656 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(N)c1 ZINC000814865021 741870862 /nfs/dbraw/zinc/87/08/62/741870862.db2.gz NGOVAWXLCSTKQG-UHFFFAOYSA-N -1 1 368.802 2.533 20 30 FFEDMM CC#CCCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817490375 742153499 /nfs/dbraw/zinc/15/34/99/742153499.db2.gz PCIVVFNELHBUEE-AWEZNQCLSA-N -1 1 352.356 2.816 20 30 FFEDMM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825498 745908458 /nfs/dbraw/zinc/90/84/58/745908458.db2.gz LHQPKGVDGNBCCE-QGZVFWFLSA-N -1 1 352.818 2.923 20 30 FFEDMM CC(NNc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)=C1CC1(F)F ZINC000841628708 747421751 /nfs/dbraw/zinc/42/17/51/747421751.db2.gz ARLQYXSJQPGMFR-LLVKDONJSA-N -1 1 373.410 2.782 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NO)c2)cc1C ZINC000843043522 747755243 /nfs/dbraw/zinc/75/52/43/747755243.db2.gz WFQRUACJYRPQMR-UHFFFAOYSA-N -1 1 354.815 2.877 20 30 FFEDMM C=CCCOCCCCC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000823899374 946508850 /nfs/dbraw/zinc/50/88/50/946508850.db2.gz UTLWKBGDGJKUGK-UHFFFAOYSA-N -1 1 361.450 2.520 20 30 FFEDMM C=CCCOCCCCC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000823899374 946508858 /nfs/dbraw/zinc/50/88/58/946508858.db2.gz UTLWKBGDGJKUGK-UHFFFAOYSA-N -1 1 361.450 2.520 20 30 FFEDMM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001573334071 947446256 /nfs/dbraw/zinc/44/62/56/947446256.db2.gz JICUQIUMPKSBMD-GFCCVEGCSA-N -1 1 367.862 2.639 20 30 FFEDMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575511693 949131712 /nfs/dbraw/zinc/13/17/12/949131712.db2.gz KVFHNUBLLCFKRT-NSHDSACASA-N -1 1 367.438 2.702 20 30 FFEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C ZINC000162575674 971633963 /nfs/dbraw/zinc/63/39/63/971633963.db2.gz OFBJLEFUQFNKQK-HNNXBMFYSA-N -1 1 367.405 2.813 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1C ZINC001594366712 958495546 /nfs/dbraw/zinc/49/55/46/958495546.db2.gz IKRLVFIZCVQYJQ-WMZOPIPTSA-N -1 1 357.454 2.593 20 30 FFEDMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000134711483 959962190 /nfs/dbraw/zinc/96/21/90/959962190.db2.gz OBLDVLGRIOAPAL-KRWDZBQOSA-N -1 1 372.446 2.920 20 30 FFEDMM COc1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c(CC#N)c1 ZINC001167937114 978212283 /nfs/dbraw/zinc/21/22/83/978212283.db2.gz RQVXAPCKIDKTMN-UHFFFAOYSA-N -1 1 358.334 2.846 20 30 FFEDMM O=C([O-])[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000908707801 981507982 /nfs/dbraw/zinc/50/79/82/981507982.db2.gz LECMQRYWQVQLDA-INIZCTEOSA-N -1 1 368.458 2.883 20 30 FFEDMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000908707801 981507988 /nfs/dbraw/zinc/50/79/88/981507988.db2.gz LECMQRYWQVQLDA-INIZCTEOSA-N -1 1 368.458 2.883 20 30 FFEDMM C=CCCC[C@@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908924123 981576573 /nfs/dbraw/zinc/57/65/73/981576573.db2.gz CRLGCJXXNSAKHS-HZPDHXFCSA-N -1 1 363.458 2.834 20 30 FFEDMM C=C(C)Cn1c(N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)nnc1C(C)(C)C ZINC000909229597 981659488 /nfs/dbraw/zinc/65/94/88/981659488.db2.gz PCBDOVQQGZBEKT-ZDUSSCGKSA-N -1 1 372.473 2.997 20 30 FFEDMM CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000761267810 985030208 /nfs/dbraw/zinc/03/02/08/985030208.db2.gz WBLHMZGSPGDXCS-JTQLQIEISA-N -1 1 369.385 2.644 20 30 FFEDMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000762612444 988516314 /nfs/dbraw/zinc/51/63/14/988516314.db2.gz LKHVHQLSKBCZCH-LRDDRELGSA-N -1 1 359.426 2.639 20 30 FFEDMM O=C(NC1CC1)c1cc(F)c([N-]N=C2C(=O)Nc3c2cccc3F)c(F)c1 ZINC000763186138 989193340 /nfs/dbraw/zinc/19/33/40/989193340.db2.gz KUSFTIBGICSHCL-UHFFFAOYSA-N -1 1 374.322 2.764 20 30 FFEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H](C)C#N)cc2)cc1 ZINC000916063849 989731856 /nfs/dbraw/zinc/73/18/56/989731856.db2.gz PRKVXYOGHYMSNC-CYBMUJFWSA-N -1 1 374.418 2.955 20 30 FFEDMM COC(=O)c1cc2c(o1)c(OC)ccc2C=NNc1ccc(C(=O)[O-])cn1 ZINC000763369570 989789207 /nfs/dbraw/zinc/78/92/07/989789207.db2.gz IHOXMYZJNGHCSU-UHFFFAOYSA-N -1 1 369.333 2.767 20 30 FFEDMM CC[C@H](C#N)Oc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1OC ZINC000809680669 994578520 /nfs/dbraw/zinc/57/85/20/994578520.db2.gz ABXAJXWIMJLLSU-QGZVFWFLSA-N -1 1 365.389 2.883 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1csc(-c2ccccc2F)n1 ZINC000812225564 995387348 /nfs/dbraw/zinc/38/73/48/995387348.db2.gz IPUWEZZSQKSWFW-UHFFFAOYSA-N -1 1 369.385 2.531 20 30 FFEDMM COc1ccc([C@H](O)C2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000812641028 995494079 /nfs/dbraw/zinc/49/40/79/995494079.db2.gz HGILNQYKBHMMJN-FQEVSTJZSA-N -1 1 366.417 2.858 20 30 FFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(N2CCCNC2=O)cc1 ZINC000812763145 995518272 /nfs/dbraw/zinc/51/82/72/995518272.db2.gz FGVMYPGTPJIHPN-ZDUSSCGKSA-N -1 1 364.405 2.675 20 30 FFEDMM C#CCO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000812785941 995534437 /nfs/dbraw/zinc/53/44/37/995534437.db2.gz ROBVVRYVFJQBBM-UHFFFAOYSA-N -1 1 361.401 2.771 20 30 FFEDMM O=c1nc(N=NC(=CCc2ccccc2)c2ccccc2)nc2[nH][n-]cc1-2 ZINC000731155891 997717444 /nfs/dbraw/zinc/71/74/44/997717444.db2.gz WFFKSKHZCONMGH-DBNWQRIHSA-N -1 1 356.389 2.962 20 30 FFEDMM CCN(C)[C@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000745101547 999893127 /nfs/dbraw/zinc/89/31/27/999893127.db2.gz VRYFAOLYCJCGBQ-RDJZCZTQSA-N -1 1 371.462 2.864 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000766483554 999997369 /nfs/dbraw/zinc/99/73/69/999997369.db2.gz YPUCFWLASGWEQL-UHFFFAOYSA-N -1 1 369.362 2.510 20 30 FFEDMM COc1ccc(NN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000767797806 1000146309 /nfs/dbraw/zinc/14/63/09/1000146309.db2.gz QUMJDSFJDCQMDN-NSHDSACASA-N -1 1 359.338 2.901 20 30 FFEDMM Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccc(C#N)c(F)c3)cc2)[n-]1 ZINC001148337048 1001117637 /nfs/dbraw/zinc/11/76/37/1001117637.db2.gz VXPQPCYFOWHKDA-UHFFFAOYSA-N -1 1 350.353 2.740 20 30 FFEDMM CN1CCN(c2ccc(/C=C\C(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)CC1 ZINC000771527304 1001136765 /nfs/dbraw/zinc/13/67/65/1001136765.db2.gz HBRVMRDFVSRMDG-YWEYNIOJSA-N -1 1 367.405 2.948 20 30 FFEDMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785628135 1001464332 /nfs/dbraw/zinc/46/43/32/1001464332.db2.gz HWQDNDFWQSSZPK-WFASDCNBSA-N -1 1 359.426 2.639 20 30 FFEDMM CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(C#N)c([O-])c2)C1=O ZINC000785873032 1001493738 /nfs/dbraw/zinc/49/37/38/1001493738.db2.gz SOYNCCVIKXHOSP-IBGZPJMESA-N -1 1 372.425 2.580 20 30 FFEDMM N#Cc1ccc(OCCOC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000787956137 1001735494 /nfs/dbraw/zinc/73/54/94/1001735494.db2.gz PVADMSIHASZJLL-UHFFFAOYSA-N -1 1 367.336 2.824 20 30 FFEDMM C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N([O-])C(=N)c2ccccc2N)C1 ZINC001183624626 1002340521 /nfs/dbraw/zinc/34/05/21/1002340521.db2.gz FTAWNSRWGWSWTE-IBGZPJMESA-N -1 1 374.441 2.768 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H](CC(=O)N([O-])C(=N)c1ccccc1N)C1CC1 ZINC001183685738 1002351185 /nfs/dbraw/zinc/35/11/85/1002351185.db2.gz ZPFHJNDYCZGRHT-CQSZACIVSA-N -1 1 362.430 2.505 20 30 FFEDMM N#Cc1cccc(-c2cc(C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)on2)c1 ZINC001129638941 1003731821 /nfs/dbraw/zinc/73/18/21/1003731821.db2.gz FWFWWVJHULHYGK-UHFFFAOYSA-N -1 1 361.361 2.840 20 30 FFEDMM 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NRTRAZRHAUHDCQ-CQSZACIVSA-N -1 1 357.410 2.724 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000834141479 1035322166 /nfs/dbraw/zinc/32/21/66/1035322166.db2.gz CMFGTGXESLGMEZ-YPMHNXCESA-N -1 1 374.315 2.576 20 30 FFEDMM CO[C@H](C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)Cc1ccccc1 ZINC000834957167 1035481747 /nfs/dbraw/zinc/48/17/47/1035481747.db2.gz IAGAPQPEGYAIKU-AWEZNQCLSA-N -1 1 368.441 2.942 20 30 FFEDMM CC(C)(C)n1ncc2c1nc(N=NC1CCc3cc(N)ccc31)[n-]c2=O ZINC000834957958 1035482417 /nfs/dbraw/zinc/48/24/17/1035482417.db2.gz YRCXQRFXTMPXHF-UHFFFAOYSA-N -1 1 351.414 2.632 20 30 FFEDMM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743326 1035710725 /nfs/dbraw/zinc/71/07/25/1035710725.db2.gz LROHJNJAZXSENL-CQSZACIVSA-N -1 1 361.430 2.662 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](COc3cc([O-])ccc3C#N)[C@H]2C1 ZINC001228005229 1035864829 /nfs/dbraw/zinc/86/48/29/1035864829.db2.gz JHKAYQYRYKPGMO-YSVLISHTSA-N -1 1 360.410 2.525 20 30 FFEDMM C#CC(C#C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228191262 1035984736 /nfs/dbraw/zinc/98/47/36/1035984736.db2.gz PQWPKDWDJSXSBH-KRWDZBQOSA-N -1 1 350.326 2.524 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2Cl)[C@H](C#N)C1 ZINC001232784822 1036027313 /nfs/dbraw/zinc/02/73/13/1036027313.db2.gz UWXIEDGDGRXSEJ-CYBMUJFWSA-N -1 1 351.834 2.990 20 30 FFEDMM COC(=O)[C@@H](C)Oc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001229586769 1036765420 /nfs/dbraw/zinc/76/54/20/1036765420.db2.gz LOWZVFNXEQYZGS-CGAJTASUSA-N -1 1 358.346 2.640 20 30 FFEDMM C=CC(C=C)Oc1cc(C(=O)OC)cc([O-])c1I ZINC001234433585 1037034669 /nfs/dbraw/zinc/03/46/69/1037034669.db2.gz JUFBRZBZGRAULJ-UHFFFAOYSA-N -1 1 360.147 2.903 20 30 FFEDMM C#C[C@@H](Oc1cc(C(=O)OC)cc([O-])c1I)C(C)C ZINC001234434510 1037034713 /nfs/dbraw/zinc/03/47/13/1037034713.db2.gz BIBASDDUEOHMFY-LLVKDONJSA-N -1 1 374.174 2.820 20 30 FFEDMM CC[C@@H](O)C(=O)Oc1cc([O-])cc(OC)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234775018 1037176928 /nfs/dbraw/zinc/17/69/28/1037176928.db2.gz QJPRMLIMHHVQMU-RZIFZGNASA-N -1 1 372.373 2.679 20 30 FFEDMM C[N@H+]1CCC[C@H](Oc2c(C#N)c(C#N)c([O-])c3cccc([N+](=O)[O-])c32)C1 ZINC001231227669 1037505230 /nfs/dbraw/zinc/50/52/30/1037505230.db2.gz HWNRFMBGZPQFNE-NSHDSACASA-N -1 1 352.350 2.670 20 30 FFEDMM C=CCOC(=O)N1CCC2(CN(Cc3ccc(C(=O)[O-])s3)C2)CC1 ZINC001231461725 1037603975 /nfs/dbraw/zinc/60/39/75/1037603975.db2.gz PHLVYOFMLBNAGR-UHFFFAOYSA-N -1 1 350.440 2.667 20 30 FFEDMM C=C(C)CN1C[C@@]2(F)CN(Cc3c([O-])ccc(F)c3Cl)C[C@@]2(F)C1=O ZINC001278025493 1038344802 /nfs/dbraw/zinc/34/48/02/1038344802.db2.gz UEJZVEFBRPEBPM-DLBZAZTESA-N -1 1 374.790 2.835 20 30 FFEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)cc1 ZINC001251845917 1039321701 /nfs/dbraw/zinc/32/17/01/1039321701.db2.gz LYCIQURTWYLGCB-UHFFFAOYSA-N -1 1 351.334 2.596 20 30 FFEDMM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1Br ZINC001258658958 1039477760 /nfs/dbraw/zinc/47/77/60/1039477760.db2.gz CKAOYYJQZJEQOE-UHFFFAOYSA-N -1 1 356.201 2.726 20 30 FFEDMM C=CCOC[C@H](O)CNc1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC001252480046 1039553113 /nfs/dbraw/zinc/55/31/13/1039553113.db2.gz GBHKWHOFBMHUJJ-GFCCVEGCSA-N -1 1 373.293 2.974 20 30 FFEDMM N#Cc1cccc(OCCC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC001259044237 1039669757 /nfs/dbraw/zinc/66/97/57/1039669757.db2.gz YFWWUAAIIBQVFN-UHFFFAOYSA-N -1 1 370.352 2.723 20 30 FFEDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1C ZINC001259418891 1039987087 /nfs/dbraw/zinc/98/70/87/1039987087.db2.gz WSFLGMGHCIVLLZ-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc(C(C)=O)c1 ZINC001259418971 1039987571 /nfs/dbraw/zinc/98/75/71/1039987571.db2.gz APNVLXBRHALOMR-UHFFFAOYSA-N -1 1 360.366 2.903 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCCC1 ZINC001260332275 1040541272 /nfs/dbraw/zinc/54/12/72/1040541272.db2.gz QTJQSUTWGNJCNU-UHFFFAOYSA-N -1 1 365.199 2.842 20 30 FFEDMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Nc1ccc(CC#N)cc1 ZINC001214205890 1041307944 /nfs/dbraw/zinc/30/79/44/1041307944.db2.gz QDJBCGVSAVMQTQ-FZMZJTMJSA-N -1 1 368.359 2.816 20 30 FFEDMM CCCCCCCCCCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001216525831 1042048324 /nfs/dbraw/zinc/04/83/24/1042048324.db2.gz DBEVWWSJHFFNBI-HZPDHXFCSA-N -1 1 365.522 2.978 20 30 FFEDMM N#Cc1cc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)ccc1[O-] ZINC001242563942 1044752266 /nfs/dbraw/zinc/75/22/66/1044752266.db2.gz ODLBBXBWISAMDJ-UHFFFAOYSA-N -1 1 359.385 2.951 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1 ZINC001319337972 1045115648 /nfs/dbraw/zinc/11/56/48/1045115648.db2.gz IOEYOYVEGJDZTE-UHFFFAOYSA-N -1 1 359.432 2.598 20 30 FFEDMM C=C[C@H](COC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC001320581646 1045432313 /nfs/dbraw/zinc/43/23/13/1045432313.db2.gz NQUPWPLKGLBKLJ-ZCFIWIBFSA-N -1 1 360.682 2.643 20 30 FFEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001322051882 1045933818 /nfs/dbraw/zinc/93/38/18/1045933818.db2.gz NJNNNAVGDFAINK-LLVKDONJSA-N -1 1 367.265 2.512 20 30 FFEDMM C=CC[C@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)C(=O)[O-] ZINC001333315509 1048831269 /nfs/dbraw/zinc/83/12/69/1048831269.db2.gz GWVNEYGAEMCHCA-JKSUJKDBSA-N -1 1 365.861 2.805 20 30 FFEDMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001339878494 1050296421 /nfs/dbraw/zinc/29/64/21/1050296421.db2.gz XHQUVPBEHZDPAQ-UHFFFAOYSA-N -1 1 357.435 2.692 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001340594946 1050980826 /nfs/dbraw/zinc/98/08/26/1050980826.db2.gz WHCZUHCUQZQWBL-VIFPVBQESA-N -1 1 364.866 2.599 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCS[C@H](CC)C1 ZINC001342533075 1051137150 /nfs/dbraw/zinc/13/71/50/1051137150.db2.gz JJFMXRUIVIOGES-SNVBAGLBSA-N -1 1 353.883 2.625 20 30 FFEDMM C=CCC[C@@H]1CCCN1c1nnc(-c2c[n-][nH]c2=O)n1CCCOCC ZINC001343138058 1051759756 /nfs/dbraw/zinc/75/97/56/1051759756.db2.gz AZCHVNMXQNQTPO-CQSZACIVSA-N -1 1 360.462 2.735 20 30 FFEDMM N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C2 ZINC001306887856 1052212079 /nfs/dbraw/zinc/21/20/79/1052212079.db2.gz KBFHTOFULAVPKD-AWEZNQCLSA-N -1 1 357.207 2.924 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001343712622 1052384478 /nfs/dbraw/zinc/38/44/78/1052384478.db2.gz AEELRJPNNNXTKG-ZDUSSCGKSA-N -1 1 366.425 2.737 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC001356063836 1055254882 /nfs/dbraw/zinc/25/48/82/1055254882.db2.gz HXCJJWSCSXZRFJ-NEPJUHHUSA-N -1 1 363.849 2.889 20 30 FFEDMM C=C(C)Cn1c(-c2ccc(Cl)cc2[O-])nnc1N(C)Cc1cn(C)nn1 ZINC001356275288 1055430476 /nfs/dbraw/zinc/43/04/76/1055430476.db2.gz LGFIFPKGRBZDDP-UHFFFAOYSA-N -1 1 373.848 2.645 20 30 FFEDMM COCCCn1cc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)cn1 ZINC001356566672 1055585816 /nfs/dbraw/zinc/58/58/16/1055585816.db2.gz CTUZRHCNMJYOSU-GOSISDBHSA-N -1 1 363.421 2.654 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001338979865 1055984531 /nfs/dbraw/zinc/98/45/31/1055984531.db2.gz FFCMWUNBZICGSY-YPMHNXCESA-N -1 1 361.833 2.500 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 ZINC001339209615 1056206222 /nfs/dbraw/zinc/20/62/22/1056206222.db2.gz BYAABVVOENHQPW-ZDUSSCGKSA-N -1 1 356.821 2.639 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 ZINC001339209615 1056206239 /nfs/dbraw/zinc/20/62/39/1056206239.db2.gz BYAABVVOENHQPW-ZDUSSCGKSA-N -1 1 356.821 2.639 20 30 FFEDMM CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnn[n-]1 ZINC001544466151 1071647392 /nfs/dbraw/zinc/64/73/92/1071647392.db2.gz SQLNMNIPTPJBFY-GFCCVEGCSA-N -1 1 354.455 2.782 20 30 FFEDMM CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn[n-]n1 ZINC001544466151 1071647395 /nfs/dbraw/zinc/64/73/95/1071647395.db2.gz SQLNMNIPTPJBFY-GFCCVEGCSA-N -1 1 354.455 2.782 20 30 FFEDMM C#C[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC001452203833 1059199222 /nfs/dbraw/zinc/19/92/22/1059199222.db2.gz PMXIADSQSJDVPB-GOSISDBHSA-N -1 1 358.401 2.586 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@]2(CCOC2)C1 ZINC001520479314 1059717635 /nfs/dbraw/zinc/71/76/35/1059717635.db2.gz QGXMLJKZEKTPJO-KRWDZBQOSA-N -1 1 361.833 2.502 20 30 FFEDMM C=CC[C@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2C[C@H]2CCCCO2)C1 ZINC001516738485 1060212011 /nfs/dbraw/zinc/21/20/11/1060212011.db2.gz DRVAWDKHKVPCTH-LSDHHAIUSA-N -1 1 372.473 2.735 20 30 FFEDMM COC(=O)c1ccc2cc(CCNC(=O)c3ccc(C#N)c([O-])c3)oc2c1 ZINC001457056267 1060265133 /nfs/dbraw/zinc/26/51/33/1060265133.db2.gz ASXFHRRKJVXJKE-UHFFFAOYSA-N -1 1 364.357 2.769 20 30 FFEDMM C=C1CCC(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)CC1 ZINC001475660496 1061187692 /nfs/dbraw/zinc/18/76/92/1061187692.db2.gz PWAVKORYTNIXMB-UHFFFAOYSA-N -1 1 359.394 2.776 20 30 FFEDMM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Cl)C(=O)OC ZINC001475689169 1061209263 /nfs/dbraw/zinc/20/92/63/1061209263.db2.gz PXLXCOSFGRVGRK-CQSZACIVSA-N -1 1 363.838 2.796 20 30 FFEDMM N#CC[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001467638208 1063804418 /nfs/dbraw/zinc/80/44/18/1063804418.db2.gz GHUFCOMIHLGPEM-OAHLLOKOSA-N -1 1 367.371 2.601 20 30 FFEDMM N#Cc1cccc(NC2CN(C(=O)c3c([O-])cnc4c(F)cccc43)C2)c1 ZINC001470624290 1064384835 /nfs/dbraw/zinc/38/48/35/1064384835.db2.gz SGIZAIADJINEBU-UHFFFAOYSA-N -1 1 362.364 2.888 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC001470687351 1064412611 /nfs/dbraw/zinc/41/26/11/1064412611.db2.gz BMRFRGKVDIVNEI-SHTZXODSSA-N -1 1 359.426 2.830 20 30 FFEDMM N#Cc1ncc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1-c1nn[n-]n1 ZINC001581882326 1079013224 /nfs/dbraw/zinc/01/32/24/1079013224.db2.gz UJFAZLFHSWAVRD-ZDUSSCGKSA-N -1 1 352.789 2.523 20 30 FFEDMM C=C1CCC(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC001584065468 1079302283 /nfs/dbraw/zinc/30/22/83/1079302283.db2.gz YZBLWPJZZNWMST-UHFFFAOYSA-N -1 1 354.472 2.833 20 30 FFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001561528639 1076389200 /nfs/dbraw/zinc/38/92/00/1076389200.db2.gz OAEUMTGNVAFHJH-MRVPVSSYSA-N -1 1 351.211 2.982 20 30 FFEDMM CC(C)C(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC001561925428 1076446861 /nfs/dbraw/zinc/44/68/61/1076446861.db2.gz FQFKYGMVHHCMGM-QGZVFWFLSA-N -1 1 360.410 2.942 20 30 FFEDMM C=C(C)COc1cc(CN=Nc2oc(C)nc2-c2nn[n-]n2)ccc1OC ZINC001588429071 1080025074 /nfs/dbraw/zinc/02/50/74/1080025074.db2.gz BFZJASRDNDHLLY-UHFFFAOYSA-N -1 1 369.385 2.573 20 30 FFEDMM CC(=Cc1ccc(C2(C#N)CC2)cc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588770385 1080188506 /nfs/dbraw/zinc/18/85/06/1080188506.db2.gz LJVOQSPMIXZWGK-PKNBQFBNSA-N -1 1 359.393 2.786 20 30 FFEDMM CC(C)(C)[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1cccc(F)c1 ZINC001589095956 1080351262 /nfs/dbraw/zinc/35/12/62/1080351262.db2.gz OBYSWFGIHHQOBX-OAHLLOKOSA-N -1 1 352.377 2.867 20 30 FFEDMM CC(C)(C)[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cccc(F)c1 ZINC001589095956 1080351271 /nfs/dbraw/zinc/35/12/71/1080351271.db2.gz OBYSWFGIHHQOBX-OAHLLOKOSA-N -1 1 352.377 2.867 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC(C2CCC2)[C@@H]2CCCO2)o1 ZINC001589238265 1080440501 /nfs/dbraw/zinc/44/05/01/1080440501.db2.gz QQTAIUUELAJBLB-NSHDSACASA-N -1 1 359.434 2.899 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]([C@@H]3CCOC3)C2)o1 ZINC001589774061 1080731016 /nfs/dbraw/zinc/73/10/16/1080731016.db2.gz VUCYSLHEPMNREE-NWDGAFQWSA-N -1 1 359.434 2.973 20 30 FFEDMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccc(C#N)cc1 ZINC001590014274 1080941702 /nfs/dbraw/zinc/94/17/02/1080941702.db2.gz ZZKIMOQCBIPRLB-SECBINFHSA-N -1 1 354.757 2.705 20 30 FFEDMM CC1(C)C[C@@H](NN=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)CCO1 ZINC001590084222 1080997914 /nfs/dbraw/zinc/99/79/14/1080997914.db2.gz ZAUUBIHBAZFMDZ-JTQLQIEISA-N -1 1 352.801 2.540 20 30 FFEDMM CC1(C)C[C@@H](NN=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)CCO1 ZINC001590084222 1080997916 /nfs/dbraw/zinc/99/79/16/1080997916.db2.gz ZAUUBIHBAZFMDZ-JTQLQIEISA-N -1 1 352.801 2.540 20 30 FFEDMM C=CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000006177749 210086928 /nfs/dbraw/zinc/08/69/28/210086928.db2.gz HKNHMHRYDQTYFW-UHFFFAOYSA-N -1 1 360.435 2.802 20 30 FFEDMM N#Cc1ccc(N2CC[C@@H](Sc3nc(C(F)F)cc(=O)[n-]3)C2=O)cc1 ZINC000289497677 257284580 /nfs/dbraw/zinc/28/45/80/257284580.db2.gz KGMMAGLOBRQWOA-GFCCVEGCSA-N -1 1 362.361 2.889 20 30 FFEDMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000331371812 258183569 /nfs/dbraw/zinc/18/35/69/258183569.db2.gz GPRUEFBSQZZEGF-HUUCEWRRSA-N -1 1 371.462 2.973 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1[O-] ZINC000332534136 258234152 /nfs/dbraw/zinc/23/41/52/258234152.db2.gz SFGTUGKMWFDWQQ-UHFFFAOYSA-N -1 1 355.438 2.565 20 30 FFEDMM N#C[C@]1([N-]S(=O)(=O)Cc2c(F)cccc2F)CCc2ccccc2C1 ZINC000373208019 512220959 /nfs/dbraw/zinc/22/09/59/512220959.db2.gz YKNWMRLNKGUWGZ-SFHVURJKSA-N -1 1 362.401 2.835 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)ccc1Cl ZINC000410419081 512257901 /nfs/dbraw/zinc/25/79/01/512257901.db2.gz PDHYIBGGMUMMFU-UHFFFAOYSA-N -1 1 361.810 2.749 20 30 FFEDMM O=C(CCC(=O)N1CCc2sccc2C1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000055912303 506885113 /nfs/dbraw/zinc/88/51/13/506885113.db2.gz SSGRINJLTDFCRR-UHFFFAOYSA-N -1 1 373.360 2.838 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000044857815 506893524 /nfs/dbraw/zinc/89/35/24/506893524.db2.gz RSEQXOICMMNRKD-QGZVFWFLSA-N -1 1 358.419 2.917 20 30 FFEDMM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(C)c(C#N)cn2)[nH]1 ZINC000410756652 512357445 /nfs/dbraw/zinc/35/74/45/512357445.db2.gz XGQBMGKIWKHYGH-UHFFFAOYSA-N -1 1 355.398 2.756 20 30 FFEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1F ZINC000076557440 508223673 /nfs/dbraw/zinc/22/36/73/508223673.db2.gz HKMJWQLOWPUDJT-UHFFFAOYSA-N -1 1 351.334 2.596 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)c(C)c1 ZINC000076938076 508264282 /nfs/dbraw/zinc/26/42/82/508264282.db2.gz CQHORZHSRFPWOT-UHFFFAOYSA-N -1 1 357.435 2.678 20 30 FFEDMM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000121888792 508441656 /nfs/dbraw/zinc/44/16/56/508441656.db2.gz IGCHMWANQLEIAD-HUUCEWRRSA-N -1 1 371.462 2.973 20 30 FFEDMM CCC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000116488171 508520372 /nfs/dbraw/zinc/52/03/72/508520372.db2.gz SLNFNXTZGGZWSY-INIZCTEOSA-N -1 1 357.435 2.909 20 30 FFEDMM CN(CCC#N)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000153184229 508555915 /nfs/dbraw/zinc/55/59/15/508555915.db2.gz NAGQIYBNSVBMLR-UHFFFAOYSA-N -1 1 359.332 2.908 20 30 FFEDMM C=CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000154173469 508730215 /nfs/dbraw/zinc/73/02/15/508730215.db2.gz NLFAMRQFGNSIGR-UHFFFAOYSA-N -1 1 360.435 2.754 20 30 FFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)o1 ZINC000124632827 508861338 /nfs/dbraw/zinc/86/13/38/508861338.db2.gz CIYRIEDAUQTBBK-AWEZNQCLSA-N -1 1 362.407 2.780 20 30 FFEDMM N#C[C@@H](C(=O)OCC(F)(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155665275 509048130 /nfs/dbraw/zinc/04/81/30/509048130.db2.gz WASFSBAVVKLOHL-MRVPVSSYSA-N -1 1 371.340 2.576 20 30 FFEDMM N#C[C@@H](C(=O)Nc1ccccn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155670880 509049617 /nfs/dbraw/zinc/04/96/17/509049617.db2.gz LMFDAXSTRJIHTD-LLVKDONJSA-N -1 1 365.418 2.504 20 30 FFEDMM CC#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000126646589 509107025 /nfs/dbraw/zinc/10/70/25/509107025.db2.gz TYWHTAFZEZFHRB-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM COc1cc(C)ccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000126804290 509130684 /nfs/dbraw/zinc/13/06/84/509130684.db2.gz MLPITFFHSIETEU-UHFFFAOYSA-N -1 1 352.362 2.632 20 30 FFEDMM CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(C#N)cc1 ZINC000152031869 509132946 /nfs/dbraw/zinc/13/29/46/509132946.db2.gz CZDYPJHXQOUMRZ-UHFFFAOYSA-N -1 1 356.451 2.658 20 30 FFEDMM CCOC(=O)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C)c1C ZINC000189221052 509468813 /nfs/dbraw/zinc/46/88/13/509468813.db2.gz DXUDZKWRGIFPIQ-SFHVURJKSA-N -1 1 352.390 2.915 20 30 FFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(C)o1 ZINC000180074260 509738661 /nfs/dbraw/zinc/73/86/61/509738661.db2.gz PHWXDFLARCTBDI-CYBMUJFWSA-N -1 1 354.815 2.779 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3CC#N)cc2C[C@H]1C ZINC000193361400 509880581 /nfs/dbraw/zinc/88/05/81/509880581.db2.gz SOOISDDZXXISJG-CYBMUJFWSA-N -1 1 369.446 2.851 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000177990639 510362871 /nfs/dbraw/zinc/36/28/71/510362871.db2.gz RWTBOTJRTDXRMY-UHFFFAOYSA-N -1 1 372.736 2.989 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[n-]2)cc1 ZINC000195212892 510719972 /nfs/dbraw/zinc/71/99/72/510719972.db2.gz COWHGZLMOVXMJN-UHFFFAOYSA-N -1 1 364.430 2.806 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)CCC4)n2)cc1 ZINC000195212892 510719977 /nfs/dbraw/zinc/71/99/77/510719977.db2.gz COWHGZLMOVXMJN-UHFFFAOYSA-N -1 1 364.430 2.806 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000292690975 511686156 /nfs/dbraw/zinc/68/61/56/511686156.db2.gz QDJBCGVSAVMQTQ-BXUZGUMPSA-N -1 1 368.359 2.816 20 30 FFEDMM COC(=O)c1cnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)[n-]1 ZINC000274910112 511984130 /nfs/dbraw/zinc/98/41/30/511984130.db2.gz KMRJJRXUGDUZFE-GFCCVEGCSA-N -1 1 358.423 2.624 20 30 FFEDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000274910112 511984135 /nfs/dbraw/zinc/98/41/35/511984135.db2.gz KMRJJRXUGDUZFE-GFCCVEGCSA-N -1 1 358.423 2.624 20 30 FFEDMM CC[C@@H](CC#N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000372040272 512690351 /nfs/dbraw/zinc/69/03/51/512690351.db2.gz AGEADZFKJVXVFG-YJBOKZPZSA-N -1 1 365.433 2.958 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1C#N ZINC000447073868 513392479 /nfs/dbraw/zinc/39/24/79/513392479.db2.gz ZWKKBIVLUQNLEM-UHFFFAOYSA-N -1 1 359.455 2.674 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc1[O-] ZINC000430463746 513659424 /nfs/dbraw/zinc/65/94/24/513659424.db2.gz BOINMOWLHNRCPS-CTNGQTDRSA-N -1 1 368.408 2.907 20 30 FFEDMM CCc1[n-][nH]c(=NC(=O)C2(c3cccc(C#N)c3)CC2)c1Br ZINC000448315759 513732406 /nfs/dbraw/zinc/73/24/06/513732406.db2.gz IKZZMIKIYCRFAU-UHFFFAOYSA-N -1 1 359.227 2.698 20 30 FFEDMM C=CCCS(=O)(=O)[N-]c1ccccc1Oc1ccnc(C(=O)NC)c1 ZINC000431176420 513845633 /nfs/dbraw/zinc/84/56/33/513845633.db2.gz CDQROVSSHQRTKB-UHFFFAOYSA-N -1 1 361.423 2.551 20 30 FFEDMM N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(F)ccc3[O-])C2)c(F)c1 ZINC000436556541 513897769 /nfs/dbraw/zinc/89/77/69/513897769.db2.gz QSNMVZNPAFPQOA-AWEZNQCLSA-N -1 1 357.360 2.941 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(F)F ZINC000451692326 513913631 /nfs/dbraw/zinc/91/36/31/513913631.db2.gz SUHXNQMNBRQGGM-ZETCQYMHSA-N -1 1 353.188 2.643 20 30 FFEDMM N#Cc1ccc(C(=O)N2CC(OCCCOc3ccccc3)C2)cc1[O-] ZINC000443290730 513922960 /nfs/dbraw/zinc/92/29/60/513922960.db2.gz PZYRUZWSKQWBFZ-UHFFFAOYSA-N -1 1 352.390 2.574 20 30 FFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000443422134 513966562 /nfs/dbraw/zinc/96/65/62/513966562.db2.gz GGMNPQONIWEWTR-UHFFFAOYSA-N -1 1 371.462 2.796 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1F ZINC000427283909 514171711 /nfs/dbraw/zinc/17/17/11/514171711.db2.gz JIRMUNHLMDTCSA-UHFFFAOYSA-N -1 1 354.366 2.955 20 30 FFEDMM Cc1ncc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])CCCC3)cc1C#N ZINC000427315128 514180782 /nfs/dbraw/zinc/18/07/82/514180782.db2.gz MGXGCOZVHSWQRF-UHFFFAOYSA-N -1 1 371.418 2.640 20 30 FFEDMM CCOC(=O)C(=C([O-])Cn1nc(C#N)c2ccccc21)c1nc(C)cs1 ZINC000432454146 514200429 /nfs/dbraw/zinc/20/04/29/514200429.db2.gz DWJXHDOQPQQPAJ-INIZCTEOSA-N -1 1 368.418 2.589 20 30 FFEDMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)no1 ZINC000438884861 514459474 /nfs/dbraw/zinc/45/94/74/514459474.db2.gz RWZJFSMYYPABMG-UHFFFAOYSA-N -1 1 374.466 2.939 20 30 FFEDMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccccc2SCC#N)n1 ZINC000484562273 514692690 /nfs/dbraw/zinc/69/26/90/514692690.db2.gz WIODIQYPWPSYPO-UHFFFAOYSA-N -1 1 362.436 2.543 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc(-n2cccn2)c1 ZINC000475826759 514825455 /nfs/dbraw/zinc/82/54/55/514825455.db2.gz BZINXXHRWAQKTP-UHFFFAOYSA-N -1 1 368.418 2.862 20 30 FFEDMM Cc1cnc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c([O-])c1 ZINC000557660754 516365850 /nfs/dbraw/zinc/36/58/50/516365850.db2.gz NMZCMQNDNTZKNV-UHFFFAOYSA-N -1 1 355.369 2.790 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3cccc(F)c3)nc2)o1 ZINC000557812766 516451532 /nfs/dbraw/zinc/45/15/32/516451532.db2.gz DKVJTQYUAIWBDW-UHFFFAOYSA-N -1 1 373.365 2.956 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)o1 ZINC000557839930 516462915 /nfs/dbraw/zinc/46/29/15/516462915.db2.gz PHEJTJPFOVQVBD-SNVBAGLBSA-N -1 1 369.805 2.501 20 30 FFEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C#N)cc2F)o1 ZINC000525190174 516952358 /nfs/dbraw/zinc/95/23/58/516952358.db2.gz VHJRVIZSUXZOMF-AWEZNQCLSA-N -1 1 352.387 2.519 20 30 FFEDMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1OC ZINC000545917746 517433958 /nfs/dbraw/zinc/43/39/58/517433958.db2.gz FCMOKCKRGBGUOT-UHFFFAOYSA-N -1 1 360.391 2.628 20 30 FFEDMM N#Cc1cccc(OCCCCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000549846831 517742943 /nfs/dbraw/zinc/74/29/43/517742943.db2.gz KSUMVIFMLRDPMY-UHFFFAOYSA-N -1 1 370.409 2.602 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2)o1 ZINC000553814148 517919924 /nfs/dbraw/zinc/91/99/24/517919924.db2.gz PVWFILYKEVCNQK-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)C#N)ccc2C)cc1 ZINC000522017757 517951229 /nfs/dbraw/zinc/95/12/29/517951229.db2.gz CVZNKTXLHVVAAA-CQSZACIVSA-N -1 1 371.462 2.994 20 30 FFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1OC ZINC000581718763 518423478 /nfs/dbraw/zinc/42/34/78/518423478.db2.gz FEYVRQLXQCIYKT-UHFFFAOYSA-N -1 1 350.371 2.824 20 30 FFEDMM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000564763494 518601381 /nfs/dbraw/zinc/60/13/81/518601381.db2.gz MVVQTQWDBBADGY-LBPRGKRZSA-N -1 1 352.309 2.695 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1C#N ZINC000573461825 518676968 /nfs/dbraw/zinc/67/69/68/518676968.db2.gz IEZJRNZVZAEJLT-LLVKDONJSA-N -1 1 361.370 2.905 20 30 FFEDMM CCC[C@H](CCCCNS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000576659855 518698625 /nfs/dbraw/zinc/69/86/25/518698625.db2.gz GTOYOSXXCGMYHC-GFCCVEGCSA-N -1 1 374.409 2.786 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000565322992 518897895 /nfs/dbraw/zinc/89/78/95/518897895.db2.gz ADPAGBBPYMDEEZ-UHFFFAOYSA-N -1 1 372.736 2.989 20 30 FFEDMM COCCOc1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589170095 518937970 /nfs/dbraw/zinc/93/79/70/518937970.db2.gz JIFXATKTNLDPSQ-ZDUSSCGKSA-N -1 1 370.405 2.789 20 30 FFEDMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589184694 518943720 /nfs/dbraw/zinc/94/37/20/518943720.db2.gz XGCPIFUZDPMRTA-UHFFFAOYSA-N -1 1 351.406 2.982 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC000589196866 518947896 /nfs/dbraw/zinc/94/78/96/518947896.db2.gz WVEBPKLNZILJRQ-GFCCVEGCSA-N -1 1 373.771 2.592 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000589201131 518948704 /nfs/dbraw/zinc/94/87/04/518948704.db2.gz ZNPXLJNMVHAFAJ-UHFFFAOYSA-N -1 1 366.352 2.816 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OCc3ccccn3)cc2)o1 ZINC000565663532 519070347 /nfs/dbraw/zinc/07/03/47/519070347.db2.gz NGZUGICVNLELMV-UHFFFAOYSA-N -1 1 369.402 2.604 20 30 FFEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1Cl ZINC000590056501 519139863 /nfs/dbraw/zinc/13/98/63/519139863.db2.gz FRHNTOPJCYJCKB-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC3(C#N)CCC3)n2)cc1 ZINC000572050125 519417378 /nfs/dbraw/zinc/41/73/78/519417378.db2.gz YSZHANFEONLLNS-ZDUSSCGKSA-N -1 1 374.466 2.973 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3(C#N)CC3)c2)c1 ZINC000578110897 519420299 /nfs/dbraw/zinc/42/02/99/519420299.db2.gz COSQUJFENNQHLL-UHFFFAOYSA-N -1 1 369.446 2.829 20 30 FFEDMM N#Cc1cccc(CN2CCC(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)CC2)c1 ZINC000594747494 520129866 /nfs/dbraw/zinc/12/98/66/520129866.db2.gz JCWHFSJGPOQCHL-IBGZPJMESA-N -1 1 369.465 2.530 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3Cl)C2)o1 ZINC000594802311 520164764 /nfs/dbraw/zinc/16/47/64/520164764.db2.gz MYJDJLYJOBQHLZ-LBPRGKRZSA-N -1 1 365.842 2.609 20 30 FFEDMM CCOc1cc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc(Cl)c1[O-] ZINC000613019246 520273406 /nfs/dbraw/zinc/27/34/06/520273406.db2.gz WHBLXXWTKQCVLZ-OAHLLOKOSA-N -1 1 365.861 2.750 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c(F)c1 ZINC000610056835 520518575 /nfs/dbraw/zinc/51/85/75/520518575.db2.gz LQUNTEOSBNGTOX-UHFFFAOYSA-N -1 1 363.345 2.522 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000610085540 520533347 /nfs/dbraw/zinc/53/33/47/520533347.db2.gz WAPQYIYWWHTCHA-QGZVFWFLSA-N -1 1 373.453 2.640 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c1 ZINC000614297184 520896260 /nfs/dbraw/zinc/89/62/60/520896260.db2.gz SUGDODMTDPXTJR-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM CCN(C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1)CC(F)(F)F ZINC000614300597 520898943 /nfs/dbraw/zinc/89/89/43/520898943.db2.gz LIKQNRLIMJCBBC-GFCCVEGCSA-N -1 1 355.360 2.610 20 30 FFEDMM CN1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000614304869 520900132 /nfs/dbraw/zinc/90/01/32/520900132.db2.gz VYHABTSJDASWNT-MSOLQXFVSA-N -1 1 357.360 2.717 20 30 FFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1ccn(C2CCSCC2)[nH]1 ZINC000601719729 520917898 /nfs/dbraw/zinc/91/78/98/520917898.db2.gz RLVJUNDQZVVRLF-MRXNPFEDSA-N -1 1 365.462 2.566 20 30 FFEDMM CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614369674 520929638 /nfs/dbraw/zinc/92/96/38/520929638.db2.gz KASAEQXYVIMPCF-UHFFFAOYSA-N -1 1 359.407 2.668 20 30 FFEDMM CN(C(=O)c1cc(I)ccc1[O-])[C@@H]1CCC[C@H]1C#N ZINC000601809401 520963142 /nfs/dbraw/zinc/96/31/42/520963142.db2.gz FMDWPKOLQAVLPP-JOYOIKCWSA-N -1 1 370.190 2.761 20 30 FFEDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1F ZINC000599347408 521167692 /nfs/dbraw/zinc/16/76/92/521167692.db2.gz QYLMXLXAYYTTIN-UHFFFAOYSA-N -1 1 372.393 2.504 20 30 FFEDMM CCC(F)(F)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000599434373 521221665 /nfs/dbraw/zinc/22/16/65/521221665.db2.gz ZXMULBBUGFXTCK-UHFFFAOYSA-N -1 1 353.188 2.644 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C(=O)N(C)C ZINC000619463422 521581471 /nfs/dbraw/zinc/58/14/71/521581471.db2.gz XUGNWEJKJPAPLG-UHFFFAOYSA-N -1 1 357.435 2.564 20 30 FFEDMM N#CC(=C([O-])c1cccc(-c2nn[nH]n2)c1)c1nc(-c2ccncc2)cs1 ZINC000737672489 598925464 /nfs/dbraw/zinc/92/54/64/598925464.db2.gz IIYNRRVSCOVODA-AWEZNQCLSA-N -1 1 373.401 2.875 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccccc2OCC(F)(F)F)o1 ZINC000737466946 599129108 /nfs/dbraw/zinc/12/91/08/599129108.db2.gz IKXJEIBIDOHWOA-UHFFFAOYSA-N -1 1 367.291 2.550 20 30 FFEDMM C[C@@H](CC#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735964309 598401397 /nfs/dbraw/zinc/40/13/97/598401397.db2.gz XXXNNOBQYLUCPC-NSHDSACASA-N -1 1 366.356 2.830 20 30 FFEDMM C[C@@H](CC#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735964309 598401399 /nfs/dbraw/zinc/40/13/99/598401399.db2.gz XXXNNOBQYLUCPC-NSHDSACASA-N -1 1 366.356 2.830 20 30 FFEDMM COCc1cccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1 ZINC000821695969 599337703 /nfs/dbraw/zinc/33/77/03/599337703.db2.gz PTONMVOMXSAFFR-UHFFFAOYSA-N -1 1 355.402 2.745 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736108977 600296931 /nfs/dbraw/zinc/29/69/31/600296931.db2.gz YSVBWQQDWXJDFE-GDBMZVCRSA-N -1 1 362.495 2.838 20 30 FFEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@H](C)C(=O)[O-] ZINC000736571641 600373302 /nfs/dbraw/zinc/37/33/02/600373302.db2.gz MDEUYCSCQSFRIK-NWDGAFQWSA-N -1 1 363.483 2.868 20 30 FFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000736089767 600900604 /nfs/dbraw/zinc/90/06/04/600900604.db2.gz PPNOPLRUDFIXQI-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM COc1cc2c(cc1OC)CN([C@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC000832103655 601309720 /nfs/dbraw/zinc/30/97/20/601309720.db2.gz WIPJDBTVJXFTKX-IBGZPJMESA-N -1 1 352.390 2.759 20 30 FFEDMM COCCOc1cc(C)ccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831766949 601498234 /nfs/dbraw/zinc/49/82/34/601498234.db2.gz BHYHVUZLEWUOEE-IBGZPJMESA-N -1 1 354.406 2.807 20 30 FFEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794900262 602073944 /nfs/dbraw/zinc/07/39/44/602073944.db2.gz YRVFSSVURNQWDA-LLVKDONJSA-N -1 1 359.338 2.901 20 30 FFEDMM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCCC1 ZINC000740303213 602670236 /nfs/dbraw/zinc/67/02/36/602670236.db2.gz HTVNXTKFUYPTKW-DLBZAZTESA-N -1 1 371.437 2.933 20 30 FFEDMM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCC1 ZINC000740304587 602671015 /nfs/dbraw/zinc/67/10/15/602671015.db2.gz WKQMREBDVIYUND-JKSUJKDBSA-N -1 1 357.410 2.543 20 30 FFEDMM CN(C[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1)C(=O)[O-] ZINC000739636398 602858972 /nfs/dbraw/zinc/85/89/72/602858972.db2.gz JSSMSYOLRJOOGI-INIZCTEOSA-N -1 1 353.426 2.701 20 30 FFEDMM CN(C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1)C(=O)OC(C)(C)C ZINC000833693382 604608392 /nfs/dbraw/zinc/60/83/92/604608392.db2.gz VPWODLYRWJTVKT-CQSZACIVSA-N -1 1 373.453 2.945 20 30 FFEDMM CC(=[NH+][N-]c1ccc(C(=O)[O-])cn1)c1c(F)cccc1N1CCOCC1 ZINC000763367868 604667749 /nfs/dbraw/zinc/66/77/49/604667749.db2.gz HANNXOIYAJTEQF-UHFFFAOYSA-N -1 1 358.373 2.592 20 30 FFEDMM COc1cc2c(cc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000832103687 604778150 /nfs/dbraw/zinc/77/81/50/604778150.db2.gz XRDMWJCYMKBCTQ-CWTRNNRKSA-N -1 1 352.390 2.806 20 30 FFEDMM C#CCNC(=O)C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000833365327 605126816 /nfs/dbraw/zinc/12/68/16/605126816.db2.gz GQRSCZBMDUYSER-HNNXBMFYSA-N -1 1 369.248 2.581 20 30 FFEDMM C#CC[C@@H](NCC(=O)NCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000833360874 605134435 /nfs/dbraw/zinc/13/44/35/605134435.db2.gz QMIMGFQNSWGXFY-GOSISDBHSA-N -1 1 351.406 2.747 20 30 FFEDMM C=CCN1C(=O)N=NC1S[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833380480 605149117 /nfs/dbraw/zinc/14/91/17/605149117.db2.gz HESLBBVRHVHFLN-JTQLQIEISA-N -1 1 370.228 2.850 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000779847813 605164338 /nfs/dbraw/zinc/16/43/38/605164338.db2.gz DXJJBQDMHZWYID-JTQLQIEISA-N -1 1 364.354 2.616 20 30 FFEDMM Cc1cccc(C)c1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822293832 606369121 /nfs/dbraw/zinc/36/91/21/606369121.db2.gz NKJUVDNLJBHUHA-UHFFFAOYSA-N -1 1 357.468 2.866 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822801447 606445585 /nfs/dbraw/zinc/44/55/85/606445585.db2.gz JNBZEXLNWNWHAZ-KBPBESRZSA-N -1 1 364.434 2.840 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822801447 606445586 /nfs/dbraw/zinc/44/55/86/606445586.db2.gz JNBZEXLNWNWHAZ-KBPBESRZSA-N -1 1 364.434 2.840 20 30 FFEDMM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821702982 606493995 /nfs/dbraw/zinc/49/39/95/606493995.db2.gz JOPBPCQBBOWENM-UHFFFAOYSA-N -1 1 361.770 2.681 20 30 FFEDMM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821702982 606493996 /nfs/dbraw/zinc/49/39/96/606493996.db2.gz JOPBPCQBBOWENM-UHFFFAOYSA-N -1 1 361.770 2.681 20 30 FFEDMM CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)c2cccc(C(=O)[O-])c2)o1 ZINC000819782294 606988382 /nfs/dbraw/zinc/98/83/82/606988382.db2.gz KYXDEJOYOYIREG-UHFFFAOYSA-N -1 1 355.358 2.512 20 30 FFEDMM N#Cc1cccc(-c2nnc(COc3cccc(F)c3-c3nnn[n-]3)o2)c1 ZINC000826386675 607866518 /nfs/dbraw/zinc/86/65/18/607866518.db2.gz NZNLVPAZCXWVTN-UHFFFAOYSA-N -1 1 363.312 2.506 20 30 FFEDMM N#Cc1cccc(-c2nnc(COc3cccc(F)c3-c3nn[n-]n3)o2)c1 ZINC000826386675 607866519 /nfs/dbraw/zinc/86/65/19/607866519.db2.gz NZNLVPAZCXWVTN-UHFFFAOYSA-N -1 1 363.312 2.506 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc([C@@H]3CCCO3)s2)o1 ZINC000824352414 607887427 /nfs/dbraw/zinc/88/74/27/607887427.db2.gz CRDUZUWMJRXDCL-JTQLQIEISA-N -1 1 374.430 2.732 20 30 FFEDMM CCN(C(C)=O)c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000825390686 608093393 /nfs/dbraw/zinc/09/33/93/608093393.db2.gz KILVPMVSVIPRHH-PLNGDYQASA-N -1 1 374.451 2.654 20 30 FFEDMM CCN(C(C)=O)c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000825390686 608093394 /nfs/dbraw/zinc/09/33/94/608093394.db2.gz KILVPMVSVIPRHH-PLNGDYQASA-N -1 1 374.451 2.654 20 30 FFEDMM CC(=NN(C)[C@H](C)CO)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863122505 730751356 /nfs/dbraw/zinc/75/13/56/730751356.db2.gz HXQWXXRCFUZXIC-CQSZACIVSA-N -1 1 361.467 2.524 20 30 FFEDMM COc1ccc(C[C@@H](C)C=Nn2c(=O)cn[n-]c2=S)cc1C(C)(C)C ZINC000872370828 731757560 /nfs/dbraw/zinc/75/75/60/731757560.db2.gz FXERSSWIWCUCBV-GFCCVEGCSA-N -1 1 360.483 2.946 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(F)c(Cl)cc1Cl ZINC000731155557 734668524 /nfs/dbraw/zinc/66/85/24/734668524.db2.gz KQIQAUVUOQFVNG-UHFFFAOYSA-N -1 1 355.160 2.714 20 30 FFEDMM O=c1nc(NN=Cc2csc(-c3ccc(Cl)cc3)n2)nc2[nH][n-]cc1-2 ZINC000731155107 734668571 /nfs/dbraw/zinc/66/85/71/734668571.db2.gz SRMIJBHBYHUERM-UHFFFAOYSA-N -1 1 371.813 2.655 20 30 FFEDMM C#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000733287759 734804274 /nfs/dbraw/zinc/80/42/74/734804274.db2.gz PRTKQHMUDIMYPI-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM C#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000733288580 734804364 /nfs/dbraw/zinc/80/43/64/734804364.db2.gz QYMDFOFEAMEQGW-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000735271075 734937629 /nfs/dbraw/zinc/93/76/29/734937629.db2.gz UZXRJTUEIVVHOX-UHFFFAOYSA-N -1 1 359.407 2.524 20 30 FFEDMM O=C(NO)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000742823401 735257700 /nfs/dbraw/zinc/25/77/00/735257700.db2.gz APNPWEIYOZJCQJ-UHFFFAOYSA-N -1 1 361.206 2.913 20 30 FFEDMM CC1(C)CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000748248212 735630147 /nfs/dbraw/zinc/63/01/47/735630147.db2.gz JAYVECSIZURLMZ-UHFFFAOYSA-N -1 1 359.407 2.959 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cccc(C(F)(F)F)c1 ZINC000748248780 735630227 /nfs/dbraw/zinc/63/02/27/735630227.db2.gz WLNKJRZYDJPTCY-UHFFFAOYSA-N -1 1 373.312 2.926 20 30 FFEDMM CCOc1ccc(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000748248309 735630235 /nfs/dbraw/zinc/63/02/35/735630235.db2.gz LBGNUQNJYKHEBM-UHFFFAOYSA-N -1 1 363.395 2.696 20 30 FFEDMM Cc1nc2ccccc2c(=O)n1N=Cc1cc(O)c([O-])c(Br)c1 ZINC000757561873 736410051 /nfs/dbraw/zinc/41/00/51/736410051.db2.gz VSMYHIYUOJJKAL-UHFFFAOYSA-N -1 1 374.194 2.761 20 30 FFEDMM C=C(Cl)C[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908743263 736823815 /nfs/dbraw/zinc/82/38/15/736823815.db2.gz MZUJXIVCGATAHT-KGLIPLIRSA-N -1 1 369.849 2.702 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000908814077 736837058 /nfs/dbraw/zinc/83/70/58/736837058.db2.gz NQAIFCIEGCYFKX-HOTGVXAUSA-N -1 1 351.422 2.537 20 30 FFEDMM C=C(C)C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124052 736888006 /nfs/dbraw/zinc/88/80/06/736888006.db2.gz KJRWGFPPQWXYMW-LSDHHAIUSA-N -1 1 353.850 2.661 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c(F)c1 ZINC000765572955 737134640 /nfs/dbraw/zinc/13/46/40/737134640.db2.gz QNURWHWOYWBJCT-UHFFFAOYSA-N -1 1 351.790 2.942 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000766546449 737240148 /nfs/dbraw/zinc/24/01/48/737240148.db2.gz FQFNNPGMVHDOMA-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM CCCCOc1ccccc1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000767355208 737317968 /nfs/dbraw/zinc/31/79/68/737317968.db2.gz DWADLEMRQVXNJM-UHFFFAOYSA-N -1 1 357.435 2.938 20 30 FFEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913745939 737441517 /nfs/dbraw/zinc/44/15/17/737441517.db2.gz HUHMYIOJUZACOZ-UHFFFAOYSA-N -1 1 352.423 2.614 20 30 FFEDMM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000768886728 737472524 /nfs/dbraw/zinc/47/25/24/737472524.db2.gz LNZMCBJNWONVDW-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(CSC(F)F)o2)c2ccccc21 ZINC000914599468 737585890 /nfs/dbraw/zinc/58/58/90/737585890.db2.gz DCQHAQXIDDTZHK-UHFFFAOYSA-N -1 1 371.390 2.808 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccccc2OCC2CC2)c2ccccc21 ZINC000920375286 737903728 /nfs/dbraw/zinc/90/37/28/737903728.db2.gz JLFMGEHGBNETLS-UHFFFAOYSA-N -1 1 355.419 2.548 20 30 FFEDMM N#Cc1cc(CS(=O)(=O)[N-][C@H]2c3ccccc3OC[C@@H]2F)cs1 ZINC000921318213 737960035 /nfs/dbraw/zinc/96/00/35/737960035.db2.gz SGPNYQVBIUWNJC-ZFWWWQNUSA-N -1 1 352.412 2.511 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c(F)cc1F ZINC000775170817 738069328 /nfs/dbraw/zinc/06/93/28/738069328.db2.gz FMJSBVPFZHYXNU-QLJPJBMISA-N -1 1 372.393 2.502 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000776268145 738176237 /nfs/dbraw/zinc/17/62/37/738176237.db2.gz AYUGCZPTWVIEEF-ZDUSSCGKSA-N -1 1 360.410 2.686 20 30 FFEDMM N#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1O ZINC000785405589 738961378 /nfs/dbraw/zinc/96/13/78/738961378.db2.gz XWSAGYQJLMVQGA-UHFFFAOYSA-N -1 1 366.782 2.527 20 30 FFEDMM Cc1c(Cl)cc(S(=O)(=O)Nc2cc(C#N)ccc2O)cc1C(=O)[O-] ZINC000794867167 739937359 /nfs/dbraw/zinc/93/73/59/739937359.db2.gz UVUKSGUZSVMDGR-UHFFFAOYSA-N -1 1 366.782 2.725 20 30 FFEDMM CCCCCC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)OCC ZINC000804987785 740923492 /nfs/dbraw/zinc/92/34/92/740923492.db2.gz MQYVOYHRZVHKMC-MRXNPFEDSA-N -1 1 356.444 2.722 20 30 FFEDMM CCO[C@@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)[C@H]1SC ZINC000807970981 741175257 /nfs/dbraw/zinc/17/52/57/741175257.db2.gz DLNAEWVDHYFMQO-VXGBXAGGSA-N -1 1 364.475 2.595 20 30 FFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115473 741188562 /nfs/dbraw/zinc/18/85/62/741188562.db2.gz FWVFGVLLWWIDFS-UHFFFAOYSA-N -1 1 371.733 2.765 20 30 FFEDMM C=CCC(F)(F)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000815917824 741973045 /nfs/dbraw/zinc/97/30/45/741973045.db2.gz VULXETXCXIVODO-UHFFFAOYSA-N -1 1 362.398 2.573 20 30 FFEDMM N#Cc1ccc(N2C[C@H](C(=O)[N-]OC3CCCCC3)CC2=O)cc1Cl ZINC000829053043 745160717 /nfs/dbraw/zinc/16/07/17/745160717.db2.gz QBUBEPLEMJVQQT-CYBMUJFWSA-N -1 1 361.829 2.945 20 30 FFEDMM N#C[C@@H](C(=O)[C@@H]1CCC(=O)C1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000842681730 747658732 /nfs/dbraw/zinc/65/87/32/747658732.db2.gz HPTPBWLHZVDRMQ-SKDRFNHKSA-N -1 1 355.419 2.821 20 30 FFEDMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000028781839 845049935 /nfs/dbraw/zinc/04/99/35/845049935.db2.gz LLXDVRXEKUXOIU-DHZHZOJOSA-N -1 1 356.403 2.935 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c1 ZINC000063150196 845457396 /nfs/dbraw/zinc/45/73/96/845457396.db2.gz ZBLRZXLNJWJJIA-UHFFFAOYSA-N -1 1 356.447 2.951 20 30 FFEDMM CC(C)n1c(CCNC(=O)[C@@H](C)Oc2ccccc2C#N)n[n-]c1=S ZINC000067075030 845493472 /nfs/dbraw/zinc/49/34/72/845493472.db2.gz IWDCCYDELUBWKO-GFCCVEGCSA-N -1 1 359.455 2.519 20 30 FFEDMM N#CCSCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000176582290 845718607 /nfs/dbraw/zinc/71/86/07/845718607.db2.gz BRDMMOWAEXKFFX-UHFFFAOYSA-N -1 1 371.443 2.952 20 30 FFEDMM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826476030 948377618 /nfs/dbraw/zinc/37/76/18/948377618.db2.gz ZFVSYNIWHBLCHB-XVNBXDOJSA-N -1 1 373.325 2.634 20 30 FFEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1ccccc1OC(F)(F)F ZINC000255421313 965604175 /nfs/dbraw/zinc/60/41/75/965604175.db2.gz FJOVMMLVLVXKOI-ZHRWSRJISA-N -1 1 363.295 2.924 20 30 FFEDMM N#CCCCN1CC[C@]2(CCCN2C(=O)c2cc(Cl)ccc2[O-])C1=O ZINC001271436318 973016757 /nfs/dbraw/zinc/01/67/57/973016757.db2.gz BEJRMUVFXCQJCG-GOSISDBHSA-N -1 1 361.829 2.556 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001211683467 975159385 /nfs/dbraw/zinc/15/93/85/975159385.db2.gz FXMLRBCQEWJCQW-CABZTGNLSA-N -1 1 351.255 2.648 20 30 FFEDMM C=CCN1CC[C@]2(CCCN2C(=O)c2c([O-])ccc3ccccc32)C1=O ZINC001271875588 979201252 /nfs/dbraw/zinc/20/12/52/979201252.db2.gz CTJCLAKPXXXWJO-OAQYLSRUSA-N -1 1 350.418 2.939 20 30 FFEDMM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1ccc([O-])cc1Cl)CC2 ZINC001271915899 979272491 /nfs/dbraw/zinc/27/24/91/979272491.db2.gz XLCFMEFTUVKSHI-OAHLLOKOSA-N -1 1 362.857 2.980 20 30 FFEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2coc(C(N)=O)c2)cc1 ZINC000760182767 980184535 /nfs/dbraw/zinc/18/45/35/980184535.db2.gz HPLGJWRYPBCPIB-ABAIWWIYSA-N -1 1 353.378 2.853 20 30 FFEDMM C=CCn1c(CCC(C)C)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908644460 981488626 /nfs/dbraw/zinc/48/86/26/981488626.db2.gz YXWAKDMUVZALMJ-CQSZACIVSA-N -1 1 372.473 2.898 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908924122 981576699 /nfs/dbraw/zinc/57/66/99/981576699.db2.gz CRLGCJXXNSAKHS-HOTGVXAUSA-N -1 1 363.458 2.834 20 30 FFEDMM C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000909239706 981662062 /nfs/dbraw/zinc/66/20/62/981662062.db2.gz HNWXVILFUFUCLZ-CQSZACIVSA-N -1 1 372.473 2.898 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1[O-] ZINC000912183397 983976048 /nfs/dbraw/zinc/97/60/48/983976048.db2.gz ZSZCNVFZRZACII-RBUKOAKNSA-N -1 1 350.418 2.862 20 30 FFEDMM C#Cc1cccc(NC(=S)NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)c1 ZINC000765570859 985200464 /nfs/dbraw/zinc/20/04/64/985200464.db2.gz CPUUFDZDQSHUIV-UHFFFAOYSA-N -1 1 363.402 2.563 20 30 FFEDMM CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001594725483 987231999 /nfs/dbraw/zinc/23/19/99/987231999.db2.gz XTXQMKYBTOSSBV-HOCLYGCPSA-N -1 1 354.410 2.887 20 30 FFEDMM CCCOc1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)ccc1OC ZINC000914600052 987813095 /nfs/dbraw/zinc/81/30/95/987813095.db2.gz MIQFLVBGIHYQMS-UHFFFAOYSA-N -1 1 373.434 2.557 20 30 FFEDMM CC(C)c1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000914600325 987813215 /nfs/dbraw/zinc/81/32/15/987813215.db2.gz RJXXHDXWUFAJEO-UHFFFAOYSA-N -1 1 372.406 2.791 20 30 FFEDMM COc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccccc12 ZINC000915961398 989721210 /nfs/dbraw/zinc/72/12/10/989721210.db2.gz CYUYYMXXOTXJBX-UHFFFAOYSA-N -1 1 365.414 2.921 20 30 FFEDMM C=C1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)c2ncccc2[O-])C3)CC1 ZINC001008254744 1015551632 /nfs/dbraw/zinc/55/16/32/1015551632.db2.gz USJQWCVVTUAGNQ-KKSFZXQISA-N -1 1 369.465 2.645 20 30 FFEDMM C=CCCOCC(=O)NC1=C(C(=O)OCC)C(C)=Nc2ccccc2[N-]1 ZINC000920818203 990921635 /nfs/dbraw/zinc/92/16/35/990921635.db2.gz YPDXMAVOEXUPBS-UHFFFAOYSA-N -1 1 357.410 2.688 20 30 FFEDMM CC(C)[C@@H](C#N)N1CCN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001590952417 991012370 /nfs/dbraw/zinc/01/23/70/991012370.db2.gz DDRBSVZHFRYKHS-CVEARBPZSA-N -1 1 369.387 2.997 20 30 FFEDMM CN(C)c1ccc(N2CCC(NC(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000809695049 994571969 /nfs/dbraw/zinc/57/19/69/994571969.db2.gz YIJDRRXJUKHISB-UHFFFAOYSA-N -1 1 364.449 2.729 20 30 FFEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000809746201 994601498 /nfs/dbraw/zinc/60/14/98/994601498.db2.gz NLBQUTXDWJCRRC-STQMWFEESA-N -1 1 359.426 2.734 20 30 FFEDMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000809746199 994601737 /nfs/dbraw/zinc/60/17/37/994601737.db2.gz NLBQUTXDWJCRRC-OLZOCXBDSA-N -1 1 359.426 2.734 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)C[C@H](CC(N)=O)c1ccc(Cl)cc1 ZINC001143786038 997668328 /nfs/dbraw/zinc/66/83/28/997668328.db2.gz IZQNWSKEURRTCC-LBPRGKRZSA-N -1 1 374.828 2.515 20 30 FFEDMM C#CCN(CC#CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000742130458 999760101 /nfs/dbraw/zinc/76/01/01/999760101.db2.gz ZOINDLQTIUXHPG-UHFFFAOYSA-N -1 1 366.442 2.586 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1N1CCOC1=O ZINC000746056478 999944452 /nfs/dbraw/zinc/94/44/52/999944452.db2.gz LTVTUFALRRAFPZ-UHFFFAOYSA-N -1 1 371.418 2.933 20 30 FFEDMM N#Cc1cc([N-]C(=O)c2cnn(-c3ccccc3)n2)c(Cl)c([N+](=O)[O-])c1 ZINC000746483974 999998389 /nfs/dbraw/zinc/99/83/89/999998389.db2.gz PDKDQMDJALUQIA-UHFFFAOYSA-N -1 1 368.740 2.953 20 30 FFEDMM CCCC[C@H](ON=C(C)C)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000768141728 1000185013 /nfs/dbraw/zinc/18/50/13/1000185013.db2.gz BNQBERNBXNUXLH-HNNXBMFYSA-N -1 1 361.446 2.639 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@@H](C)C#N)c2)cc1 ZINC000770927789 1000957000 /nfs/dbraw/zinc/95/70/00/1000957000.db2.gz FHXQNJJWXLWOCN-ZDUSSCGKSA-N -1 1 374.418 2.812 20 30 FFEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1C#N ZINC000771906508 1001245105 /nfs/dbraw/zinc/24/51/05/1001245105.db2.gz ZULVGDKXBQLVLM-UHFFFAOYSA-N -1 1 372.402 2.817 20 30 FFEDMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNc1cccc(F)c1C#N ZINC001054678719 1016480175 /nfs/dbraw/zinc/48/01/75/1016480175.db2.gz UQOTWGKBYMFASH-CHWSQXEVSA-N -1 1 354.385 2.618 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N(C)C(C)=O)cc2)n1 ZINC000786356222 1001579848 /nfs/dbraw/zinc/57/98/48/1001579848.db2.gz BBTSEVNMQZTTMM-AWEZNQCLSA-N -1 1 371.418 2.793 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3)c2Cl)c(=O)o1 ZINC000789128881 1001975768 /nfs/dbraw/zinc/97/57/68/1001975768.db2.gz UWNXEFMVYLUGBQ-ZPUOCTKUSA-N -1 1 370.792 2.813 20 30 FFEDMM CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)N([O-])C(=N)c1ccccc1N ZINC001183477770 1002286348 /nfs/dbraw/zinc/28/63/48/1002286348.db2.gz VLTDSYRQPZVEMK-AWEZNQCLSA-N -1 1 374.441 2.602 20 30 FFEDMM COc1c([O-])c(C=NNCc2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC000773034522 1002322988 /nfs/dbraw/zinc/32/29/88/1002322988.db2.gz MXILDHINEWBKLP-UHFFFAOYSA-N -1 1 352.350 2.981 20 30 FFEDMM C=CC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)OC ZINC001184528704 1002636515 /nfs/dbraw/zinc/63/65/15/1002636515.db2.gz ILNNYHGMPWYCRD-LBPRGKRZSA-N -1 1 352.239 2.531 20 30 FFEDMM C=CCC1(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)CCC1 ZINC000791564343 1002742084 /nfs/dbraw/zinc/74/20/84/1002742084.db2.gz IXOKYCSOCUCASQ-UHFFFAOYSA-N -1 1 367.348 2.834 20 30 FFEDMM CC[C@H](NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1)C(=O)[O-] ZINC000793070793 1003270821 /nfs/dbraw/zinc/27/08/21/1003270821.db2.gz ADZCCTUTMBKMAZ-KRWDZBQOSA-N -1 1 355.442 2.568 20 30 FFEDMM N#CCCCC[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186736690 1003402404 /nfs/dbraw/zinc/40/24/04/1003402404.db2.gz IHVFFFURJRJRKA-UHFFFAOYSA-N -1 1 353.188 2.699 20 30 FFEDMM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001186932687 1003478997 /nfs/dbraw/zinc/47/89/97/1003478997.db2.gz UYLSTPSZESUOJW-UHFFFAOYSA-N -1 1 361.810 2.816 20 30 FFEDMM CNC(=O)c1cccnc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309075 1003731230 /nfs/dbraw/zinc/73/12/30/1003731230.db2.gz KWUFNBVGPWRDHX-UHFFFAOYSA-N -1 1 372.384 2.938 20 30 FFEDMM CCN=c1ccc(N)cn1C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196308991 1003731277 /nfs/dbraw/zinc/73/12/77/1003731277.db2.gz HSUFNDVEKNXILT-UHFFFAOYSA-N -1 1 358.401 2.924 20 30 FFEDMM CC(C)C[C@H](NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)C(=O)NO ZINC001196328245 1003744344 /nfs/dbraw/zinc/74/43/44/1003744344.db2.gz AGEDJMMWYKHZSI-SFHVURJKSA-N -1 1 367.405 2.581 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N[C@@H]3CCc4n[nH]cc4C3)c2)c1 ZINC001196330352 1003744538 /nfs/dbraw/zinc/74/45/38/1003744538.db2.gz QDYAXCHFXBJGDX-GOSISDBHSA-N -1 1 358.401 2.941 20 30 FFEDMM CS(=O)(=O)c1cc(F)c([N-]C(=O)c2c(F)cc(C#N)cc2F)cc1F ZINC001191936619 1004003203 /nfs/dbraw/zinc/00/32/03/1004003203.db2.gz UDJBOFJGBQYVBN-UHFFFAOYSA-N -1 1 372.299 2.770 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 ZINC001197271462 1004150852 /nfs/dbraw/zinc/15/08/52/1004150852.db2.gz LMZQSOIQXURDDA-UHFFFAOYSA-N -1 1 362.208 2.993 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ncc(F)cc2F)ccc1Br ZINC001197279180 1004161160 /nfs/dbraw/zinc/16/11/60/1004161160.db2.gz NBFYPUOUNOHBKQ-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1c([O-])cccc1C#N ZINC001192761466 1004261816 /nfs/dbraw/zinc/26/18/16/1004261816.db2.gz IWCGHNFZNWEZIL-OAHLLOKOSA-N -1 1 353.378 2.560 20 30 FFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)c1 ZINC001193438400 1004477634 /nfs/dbraw/zinc/47/76/34/1004477634.db2.gz ZDHCAOXPCDTLGK-UHFFFAOYSA-N -1 1 362.382 2.788 20 30 FFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)c1 ZINC001193434975 1004486134 /nfs/dbraw/zinc/48/61/34/1004486134.db2.gz UPZPCASLQOMWNI-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2F)c1 ZINC001193679898 1004548798 /nfs/dbraw/zinc/54/87/98/1004548798.db2.gz RSOKOBPJVSRCIH-UHFFFAOYSA-N -1 1 360.288 2.924 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-][C@H](c2ccccn2)C(F)(F)F)c1 ZINC001193699246 1004559310 /nfs/dbraw/zinc/55/93/10/1004559310.db2.gz VANZEHXWQKSLGS-CQSZACIVSA-N -1 1 371.340 2.544 20 30 FFEDMM Cc1cncnc1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001195352593 1004945798 /nfs/dbraw/zinc/94/57/98/1004945798.db2.gz FTVRJEVRSYHBCR-UFWORHAWSA-N -1 1 366.406 2.572 20 30 FFEDMM COc1cnc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC001199757328 1005020536 /nfs/dbraw/zinc/02/05/36/1005020536.db2.gz FUYRWYCDXZIVMK-UHFFFAOYSA-N -1 1 369.299 2.863 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1C#N ZINC001201316923 1005198594 /nfs/dbraw/zinc/19/85/94/1005198594.db2.gz IATZVBZSKJOEGX-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1C#N ZINC001201316124 1005198731 /nfs/dbraw/zinc/19/87/31/1005198731.db2.gz XJNJOKHOXIVXJS-UHFFFAOYSA-N -1 1 352.419 2.912 20 30 FFEDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1cc(C#N)ccc1OC ZINC001201591253 1005237284 /nfs/dbraw/zinc/23/72/84/1005237284.db2.gz HABDHCNBRVXGAN-UHFFFAOYSA-N -1 1 356.407 2.928 20 30 FFEDMM COc1cnc(C(C)(C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)[n-]c1=O ZINC001202414616 1005347891 /nfs/dbraw/zinc/34/78/91/1005347891.db2.gz GOZGGWRHZHUKPT-NSHDSACASA-N -1 1 371.397 2.538 20 30 FFEDMM N#C[C@@]1(c2ccccn2)CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000852329566 1005981094 /nfs/dbraw/zinc/98/10/94/1005981094.db2.gz DHRJMTPSFZMONM-NRFANRHFSA-N -1 1 361.401 2.951 20 30 FFEDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1noc(C)n1 ZINC001187829466 1006286705 /nfs/dbraw/zinc/28/67/05/1006286705.db2.gz PZGZIRLFPXIRKA-GFCCVEGCSA-N -1 1 354.819 2.527 20 30 FFEDMM CCCCCCCCS(=O)(=O)[N-][C@H](C(=O)OCC)c1ccccn1 ZINC001188029549 1006386617 /nfs/dbraw/zinc/38/66/17/1006386617.db2.gz UJRUUCKTMWNUAB-INIZCTEOSA-N -1 1 356.488 2.966 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1Cc2[nH]c3ccccc3c2C1 ZINC000814864550 1006452142 /nfs/dbraw/zinc/45/21/42/1006452142.db2.gz FVCTYZJSZRPDPF-UHFFFAOYSA-N -1 1 370.390 2.509 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1ccn(-c2ccc3ccccn32)n1 ZINC001188930091 1006801350 /nfs/dbraw/zinc/80/13/50/1006801350.db2.gz KBAIROVCWFXPOR-UHFFFAOYSA-N -1 1 360.377 2.564 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1N1CCCC1=O ZINC001116196111 1032184513 /nfs/dbraw/zinc/18/45/13/1032184513.db2.gz VOLDYAINYNGGBL-UHFFFAOYSA-N -1 1 369.446 2.989 20 30 FFEDMM CC(C)Oc1ccc([C@@H]2CCCC2N=Nc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000776769532 1007059193 /nfs/dbraw/zinc/05/91/93/1007059193.db2.gz UTQQFGVRVMGGRB-AWEZNQCLSA-N -1 1 366.425 2.955 20 30 FFEDMM [O-]/N=C/c1cc(N[C@@H](Cc2ccc(O)cc2)C(O)O)cc(C(F)(F)F)c1 ZINC001170852692 1007357024 /nfs/dbraw/zinc/35/70/24/1007357024.db2.gz WYYJIIDRZRZWML-PZEXIZOFSA-N -1 1 370.327 2.553 20 30 FFEDMM CCc1n[nH]cc1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001190132134 1007487131 /nfs/dbraw/zinc/48/71/31/1007487131.db2.gz MRXSSEPCMZTDDT-QGMBQPNBSA-N -1 1 368.422 2.759 20 30 FFEDMM CCOC(=O)C1(C(F)(F)F)CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000884745194 1007525340 /nfs/dbraw/zinc/52/53/40/1007525340.db2.gz AMLMXURGQXVWGR-UHFFFAOYSA-N -1 1 370.327 2.612 20 30 FFEDMM C#CCCCC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170734 1007708327 /nfs/dbraw/zinc/70/83/27/1007708327.db2.gz KRSCASWFDXXLNZ-HZPDHXFCSA-N -1 1 366.383 2.853 20 30 FFEDMM Cc1c[nH]c(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)n1 ZINC001191094800 1007901118 /nfs/dbraw/zinc/90/11/18/1007901118.db2.gz YARIXTVGNMCGDY-CAOOACKPSA-N -1 1 354.395 2.505 20 30 FFEDMM C[C@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000773783467 1009179442 /nfs/dbraw/zinc/17/94/42/1009179442.db2.gz DJWSLGNLDMVTGI-SWLSCSKDSA-N -1 1 359.426 2.782 20 30 FFEDMM C[C@@H]1CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C[C@@H](C)N1CC#N ZINC000823760299 1009217366 /nfs/dbraw/zinc/21/73/66/1009217366.db2.gz FUSKVXKHIVMLPT-ZIAGYGMSSA-N -1 1 367.405 2.523 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccc(C#N)cc2[O-])C1 ZINC001179484855 1009349339 /nfs/dbraw/zinc/34/93/39/1009349339.db2.gz INHMKWWFQHNPPG-YJYMSZOUSA-N -1 1 357.410 2.849 20 30 FFEDMM C[C@@]1(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)CCCO1 ZINC001180470143 1009707884 /nfs/dbraw/zinc/70/78/84/1009707884.db2.gz OBHXSSHOGDSZAK-DKFVHQPUSA-N -1 1 358.423 2.729 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)cc1[O-] ZINC000826623630 1009913349 /nfs/dbraw/zinc/91/33/49/1009913349.db2.gz UCFJZAUHGPYSFE-UHFFFAOYSA-N -1 1 364.327 2.745 20 30 FFEDMM CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)N([O-])C(=N)c1ccccc1N ZINC001181246788 1010022165 /nfs/dbraw/zinc/02/21/65/1010022165.db2.gz WKZDVVOVEYQEQS-XUJVJEKNSA-N -1 1 374.441 2.600 20 30 FFEDMM C[C@H]1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC000863028323 1010083432 /nfs/dbraw/zinc/08/34/32/1010083432.db2.gz VYGNRHCLORZQSS-WFASDCNBSA-N -1 1 359.426 2.782 20 30 FFEDMM C=C(C)Cn1c(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)nnc1C(C)(C)C ZINC000871088992 1012728395 /nfs/dbraw/zinc/72/83/95/1012728395.db2.gz KEEOAVMTQHXLLB-INIZCTEOSA-N -1 1 373.423 2.799 20 30 FFEDMM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801366490 1018893084 /nfs/dbraw/zinc/89/30/84/1018893084.db2.gz HSLQSHNODSFPBU-HNNXBMFYSA-N -1 1 369.421 2.632 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000801448822 1019004599 /nfs/dbraw/zinc/00/45/99/1019004599.db2.gz DHVBUPMEUYNPGO-IBGZPJMESA-N -1 1 359.426 2.641 20 30 FFEDMM CC(CCc1ccc(C(F)(F)F)cc1)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000800813036 1020563479 /nfs/dbraw/zinc/56/34/79/1020563479.db2.gz PIGSBFBPVUDVIF-UHFFFAOYSA-N -1 1 364.331 2.871 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2ccc(OC)cc2C1 ZINC001122504695 1023308235 /nfs/dbraw/zinc/30/82/35/1023308235.db2.gz JBMWNAOYLCZIDY-UHFFFAOYSA-N -1 1 366.425 2.521 20 30 FFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000779600853 1024259002 /nfs/dbraw/zinc/25/90/02/1024259002.db2.gz KTDICFNZQLUXIF-UHFFFAOYSA-N -1 1 359.426 2.735 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(F)c2cccnc12 ZINC000759204303 1024515457 /nfs/dbraw/zinc/51/54/57/1024515457.db2.gz CUBVVGHZPJRCMA-UHFFFAOYSA-N -1 1 374.353 2.595 20 30 FFEDMM N#C[C@@H]1C[C@H](F)CN1C(=O)c1c([O-])cnc2ccc(Br)cc21 ZINC001154537735 1028343850 /nfs/dbraw/zinc/34/38/50/1028343850.db2.gz GGDUMFHXLDWWKK-UWVGGRQHSA-N -1 1 364.174 2.779 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N3CC[C@H]3COCc3ccccc3)cc(=O)c2c1 ZINC001154556573 1028352856 /nfs/dbraw/zinc/35/28/56/1028352856.db2.gz PGLSDYOFUNGFTH-KRWDZBQOSA-N -1 1 373.412 2.831 20 30 FFEDMM CN1C(=O)COc2c(C(=O)Nc3ccc(C#N)cc3[O-])cc(Cl)cc21 ZINC001154917636 1028510337 /nfs/dbraw/zinc/51/03/37/1028510337.db2.gz PYQDELKKINFNLO-UHFFFAOYSA-N -1 1 357.753 2.525 20 30 FFEDMM COc1cccc(CCNc2nc(SC)nc(Cl)c2/C=N/[O-])n1 ZINC001155236716 1028641483 /nfs/dbraw/zinc/64/14/83/1028641483.db2.gz DAYSJXLWAJONBQ-CAOOACKPSA-N -1 1 353.835 2.718 20 30 FFEDMM O=C(CCc1ccc(O)cc1)c1c(O)cc([O-])cc1O[C@H]1C=CC(=O)C1 ZINC001225941165 1034463608 /nfs/dbraw/zinc/46/36/08/1034463608.db2.gz GVUUJJDYYWHSQJ-INIZCTEOSA-N -1 1 354.358 2.895 20 30 FFEDMM C=C(C)CN1C[C@@]2(F)CN(Cc3ccc(Cl)c([O-])c3)C[C@@]2(F)C1=O ZINC001277160585 1034863712 /nfs/dbraw/zinc/86/37/12/1034863712.db2.gz FQWCOSXYRFONJC-DLBZAZTESA-N -1 1 356.800 2.696 20 30 FFEDMM C[Si](C)(C)C#C[C@@H](Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1)c1ccccc1 ZINC001227433703 1035551933 /nfs/dbraw/zinc/55/19/33/1035551933.db2.gz GUJCXFWPXSWPPF-GFCCVEGCSA-N -1 1 354.442 2.765 20 30 FFEDMM C[Si](C)(C)C#C[C@@H](Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1)c1ccccc1 ZINC001227433703 1035551945 /nfs/dbraw/zinc/55/19/45/1035551945.db2.gz GUJCXFWPXSWPPF-GFCCVEGCSA-N -1 1 354.442 2.765 20 30 FFEDMM C[Si](C)(C)C#C[C@@H](Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O)c1ccccc1 ZINC001227433703 1035551955 /nfs/dbraw/zinc/55/19/55/1035551955.db2.gz GUJCXFWPXSWPPF-GFCCVEGCSA-N -1 1 354.442 2.765 20 30 FFEDMM N#Cc1c([O-])ccc(OC2CCN(c3cc(Cl)ncn3)CC2)c1C#N ZINC001227617898 1035639363 /nfs/dbraw/zinc/63/93/63/1035639363.db2.gz IUNJQJXSGOQABG-UHFFFAOYSA-N -1 1 355.785 2.627 20 30 FFEDMM N#Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)c([O-])c1 ZINC001233386828 1036588282 /nfs/dbraw/zinc/58/82/82/1036588282.db2.gz KGIIGMQMASEPCX-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM CCCCCCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001229883460 1036958526 /nfs/dbraw/zinc/95/85/26/1036958526.db2.gz NHTJVQGEGDGIJW-HUUCEWRRSA-N -1 1 351.495 2.778 20 30 FFEDMM CCC#C[C@@H](C)Oc1cc(C(=O)OC)cc([O-])c1I ZINC001234433077 1037035331 /nfs/dbraw/zinc/03/53/31/1037035331.db2.gz FPEBPAQAUGVIDA-SECBINFHSA-N -1 1 374.174 2.964 20 30 FFEDMM CC[C@@H](O)C(=O)Oc1c(O)ccc(/C=C/C(=O)c2ccc([O-])cc2)c1OC ZINC001230155107 1037124027 /nfs/dbraw/zinc/12/40/27/1037124027.db2.gz XXTCCWTXVPDCDY-WCLQSUPFSA-N -1 1 372.373 2.679 20 30 FFEDMM C=C1O[C@@H](C)C(=O)C1Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234742179 1037161413 /nfs/dbraw/zinc/16/14/13/1037161413.db2.gz NDOGCGDLWVQNRP-QMMMGPOBSA-N -1 1 354.314 2.956 20 30 FFEDMM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(F)c([O-])c1F ZINC001277992646 1038170806 /nfs/dbraw/zinc/17/08/06/1038170806.db2.gz LHWYOGGORWAEAC-LJQANCHMSA-N -1 1 363.408 2.931 20 30 FFEDMM CCC[C@H](C)CC[C@@H](C)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001257476395 1038821441 /nfs/dbraw/zinc/82/14/41/1038821441.db2.gz PXDZILQZJXJTPP-BFHYXJOUSA-N -1 1 356.469 2.607 20 30 FFEDMM CCC[C@H](C)CC[C@@H](C)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001257476395 1038821467 /nfs/dbraw/zinc/82/14/67/1038821467.db2.gz PXDZILQZJXJTPP-BFHYXJOUSA-N -1 1 356.469 2.607 20 30 FFEDMM C=CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)C1=O ZINC001257528038 1038854000 /nfs/dbraw/zinc/85/40/00/1038854000.db2.gz JJTZVZCNKAAMEC-SECBINFHSA-N -1 1 369.295 2.510 20 30 FFEDMM C=CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)C(=O)OC ZINC001257544202 1038856071 /nfs/dbraw/zinc/85/60/71/1038856071.db2.gz XNNIPDVGBYXNDR-LLVKDONJSA-N -1 1 358.268 2.841 20 30 FFEDMM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001209428076 1038859108 /nfs/dbraw/zinc/85/91/08/1038859108.db2.gz CPIYTZWHMOFTBU-MRXNPFEDSA-N -1 1 357.391 2.741 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCc2coc(-c3ccccc3)n2)c2ccccc21 ZINC001251464831 1039145123 /nfs/dbraw/zinc/14/51/23/1039145123.db2.gz RBCGFPBXGMXMTN-UHFFFAOYSA-N -1 1 353.403 2.623 20 30 FFEDMM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H](C)CC ZINC001259081244 1039694815 /nfs/dbraw/zinc/69/48/15/1039694815.db2.gz HQUGTQWHZYAYLD-XPTSAGLGSA-N -1 1 365.373 2.526 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)Nc2cccc([O-])c2Br)c1 ZINC001259125697 1039732771 /nfs/dbraw/zinc/73/27/71/1039732771.db2.gz NLRAMIDHGKWSCK-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM CC(=O)N1CC2(CC2)c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC001259124817 1039733077 /nfs/dbraw/zinc/73/30/77/1039733077.db2.gz QNQJNPDKQFMAQK-UHFFFAOYSA-N -1 1 367.430 2.757 20 30 FFEDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC001259323287 1039912763 /nfs/dbraw/zinc/91/27/63/1039912763.db2.gz LCHMFKQTEKHBRV-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1C#N ZINC001259407882 1039980802 /nfs/dbraw/zinc/98/08/02/1039980802.db2.gz IKYUOVCBSPVYHV-UHFFFAOYSA-N -1 1 374.418 2.933 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC001211327963 1040083056 /nfs/dbraw/zinc/08/30/56/1040083056.db2.gz PDIQMSRNKJDUQJ-UHFFFAOYSA-N -1 1 352.759 2.503 20 30 FFEDMM N#CC1([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)Cc2ccccc2C1 ZINC001260291185 1040516487 /nfs/dbraw/zinc/51/64/87/1040516487.db2.gz MRWXJLSPOPZMAA-UHFFFAOYSA-N -1 1 368.792 2.958 20 30 FFEDMM COc1ncc(Nc2cccc(Cl)c2C#N)cc1[N-]S(C)(=O)=O ZINC001216156598 1041966255 /nfs/dbraw/zinc/96/62/55/1041966255.db2.gz RBFYZCKXCZOARP-UHFFFAOYSA-N -1 1 352.803 2.730 20 30 FFEDMM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001263289704 1042223741 /nfs/dbraw/zinc/22/37/41/1042223741.db2.gz NWQXWWZZGKLYAS-MRXNPFEDSA-N -1 1 373.416 2.794 20 30 FFEDMM Cn1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc([S-])c2)cc1C#N ZINC001279199254 1042943132 /nfs/dbraw/zinc/94/31/32/1042943132.db2.gz PNKZWPRFKLWGQJ-OALUTQOASA-N -1 1 366.490 2.674 20 30 FFEDMM C=C(C[N-]S(=O)(=O)c1ncccc1Br)c1ccccc1 ZINC001309559240 1043435197 /nfs/dbraw/zinc/43/51/97/1043435197.db2.gz ULFAGOLORFGQAK-UHFFFAOYSA-N -1 1 353.241 2.836 20 30 FFEDMM C=CCOCc1ncn2c1CN(Cc1ccc(C(=O)[O-])cc1C)CCC2 ZINC001238134975 1043559737 /nfs/dbraw/zinc/55/97/37/1043559737.db2.gz DPDWXNVFDCDRDP-UHFFFAOYSA-N -1 1 355.438 2.998 20 30 FFEDMM CC(C)(C)c1ccc(N=NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)nn1 ZINC001318625665 1044777412 /nfs/dbraw/zinc/77/74/12/1044777412.db2.gz HLGQEPLUFPILIZ-UHFFFAOYSA-N -1 1 373.369 2.592 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)cc1 ZINC001318910226 1044934857 /nfs/dbraw/zinc/93/48/57/1044934857.db2.gz UVRXPUZZALLDQF-UHFFFAOYSA-N -1 1 357.391 2.510 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)OCC ZINC001325210643 1046417800 /nfs/dbraw/zinc/41/78/00/1046417800.db2.gz UNHQNIOULGDYAD-JTQLQIEISA-N -1 1 367.254 2.565 20 30 FFEDMM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001475371732 1047944348 /nfs/dbraw/zinc/94/43/48/1047944348.db2.gz BWMNTDODXNYPRB-JOYOIKCWSA-N -1 1 361.236 2.783 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](C2CC2)C1 ZINC001342040829 1050637546 /nfs/dbraw/zinc/63/75/46/1050637546.db2.gz VPUZYWKYYCAIFL-AWEZNQCLSA-N -1 1 352.442 2.740 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCCC[C@@H](SC)C1 ZINC001340594589 1050979744 /nfs/dbraw/zinc/97/97/44/1050979744.db2.gz QRPQCAFRCCMABC-SNVBAGLBSA-N -1 1 353.883 2.625 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1c1ccccc1Cl ZINC001340728012 1051087683 /nfs/dbraw/zinc/08/76/83/1051087683.db2.gz FGHPUTNHBWIMII-CYBMUJFWSA-N -1 1 356.821 2.639 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H]1c1ccccc1Cl ZINC001340728012 1051087687 /nfs/dbraw/zinc/08/76/87/1051087687.db2.gz FGHPUTNHBWIMII-CYBMUJFWSA-N -1 1 356.821 2.639 20 30 FFEDMM C#C[C@@H]1CCCCN1c1nnc(-c2nc(Cl)n[n-]2)n1Cc1cccs1 ZINC001345960254 1052685629 /nfs/dbraw/zinc/68/56/29/1052685629.db2.gz NZMDYOYZVACHIB-LLVKDONJSA-N -1 1 373.873 2.819 20 30 FFEDMM C#CCC[C@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC001336637864 1054107782 /nfs/dbraw/zinc/10/77/82/1054107782.db2.gz MNJZYSFZKIYIMN-INIZCTEOSA-N -1 1 374.462 2.682 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC001351768105 1054990896 /nfs/dbraw/zinc/99/08/96/1054990896.db2.gz FZPKLLQVRIVJQF-INIZCTEOSA-N -1 1 366.425 2.910 20 30 FFEDMM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001515081283 1059300431 /nfs/dbraw/zinc/30/04/31/1059300431.db2.gz DXKWUXISCOLFPL-INIZCTEOSA-N -1 1 373.416 2.842 20 30 FFEDMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(F)cc(C#N)c1 ZINC001454718962 1059614581 /nfs/dbraw/zinc/61/45/81/1059614581.db2.gz JTLKYHFURBLCDA-UHFFFAOYSA-N -1 1 351.341 2.814 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C ZINC001520433719 1059683800 /nfs/dbraw/zinc/68/38/00/1059683800.db2.gz TWENGFXQAXEHNP-ZFWWWQNUSA-N -1 1 350.426 2.942 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@H](OCCC)CC1 ZINC001520596288 1059852957 /nfs/dbraw/zinc/85/29/57/1059852957.db2.gz LBYJSFRPOCJKML-LBPRGKRZSA-N -1 1 365.869 2.688 20 30 FFEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001475184038 1060984975 /nfs/dbraw/zinc/98/49/75/1060984975.db2.gz FWBAVSVHKGCJIG-UHFFFAOYSA-N -1 1 353.188 2.555 20 30 FFEDMM COC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Cl)cc1 ZINC001475247963 1061017365 /nfs/dbraw/zinc/01/73/65/1061017365.db2.gz NKJHRGUKCSSQOQ-LBPRGKRZSA-N -1 1 356.856 2.939 20 30 FFEDMM C=CCCC1(C[N-]S(=O)(=O)c2nc[nH]c2Br)CCCC1 ZINC001475489405 1061111954 /nfs/dbraw/zinc/11/19/54/1061111954.db2.gz SMPBFCGZGGKTSP-UHFFFAOYSA-N -1 1 362.293 2.977 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001524309321 1062797464 /nfs/dbraw/zinc/79/74/64/1062797464.db2.gz WDNMNDQJUFALTG-CABCVRRESA-N -1 1 370.457 2.508 20 30 FFEDMM N#CCCN(CCC#N)C(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC001473093972 1065198054 /nfs/dbraw/zinc/19/80/54/1065198054.db2.gz BBRYXVCIDXYQPU-UHFFFAOYSA-N -1 1 367.434 2.597 20 30 FFEDMM N#Cc1ncc(Nc2ccc(CCC(F)(F)F)cc2)nc1-c1nn[n-]n1 ZINC001581884848 1079012444 /nfs/dbraw/zinc/01/24/44/1079012444.db2.gz DCGVEHYMPSVDBM-UHFFFAOYSA-N -1 1 360.303 2.767 20 30 FFEDMM C=CCN(C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)c1ccccc1 ZINC001556871767 1075783821 /nfs/dbraw/zinc/78/38/21/1075783821.db2.gz VYULZODRZYVICE-UHFFFAOYSA-N -1 1 365.364 2.707 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1[O-] ZINC001557885618 1075905576 /nfs/dbraw/zinc/90/55/76/1075905576.db2.gz NBYFCOWGTQCJES-AWEZNQCLSA-N -1 1 373.771 2.592 20 30 FFEDMM CC(C)(C)OC(=O)NCCOCC(=O)N([O-])Cc1ccccc1Cl ZINC001559033327 1076118348 /nfs/dbraw/zinc/11/83/48/1076118348.db2.gz FHTPNPURTBCFCO-UHFFFAOYSA-N -1 1 358.822 2.599 20 30 FFEDMM COc1ccc(-n2cc(C(=O)N([O-])Cc3ccccc3Cl)nn2)cc1 ZINC001559033884 1076118405 /nfs/dbraw/zinc/11/84/05/1076118405.db2.gz CTZVSPRCIHOYMX-UHFFFAOYSA-N -1 1 358.785 2.961 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001565899415 1076788303 /nfs/dbraw/zinc/78/83/03/1076788303.db2.gz HHOOOFDPIOVISW-HUUCEWRRSA-N -1 1 352.350 2.607 20 30 FFEDMM N#C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC001566181385 1076929961 /nfs/dbraw/zinc/92/99/61/1076929961.db2.gz XIGWBWIXFDQPMH-AWEZNQCLSA-N -1 1 364.279 2.855 20 30 FFEDMM C#C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Br)cc1 ZINC001588328697 1079985524 /nfs/dbraw/zinc/98/55/24/1079985524.db2.gz NWKQDRQXUJCNSL-GFCCVEGCSA-N -1 1 355.199 2.811 20 30 FFEDMM C#C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Br)cc1 ZINC001588328697 1079985528 /nfs/dbraw/zinc/98/55/28/1079985528.db2.gz NWKQDRQXUJCNSL-GFCCVEGCSA-N -1 1 355.199 2.811 20 30 FFEDMM C#CCC1(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)CCCCC1 ZINC001588334708 1079989415 /nfs/dbraw/zinc/98/94/15/1079989415.db2.gz HNUPWFHHTUDFDI-UHFFFAOYSA-N -1 1 350.426 2.515 20 30 FFEDMM C#CCC1(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)CCCCC1 ZINC001588334708 1079989422 /nfs/dbraw/zinc/98/94/22/1079989422.db2.gz HNUPWFHHTUDFDI-UHFFFAOYSA-N -1 1 350.426 2.515 20 30 FFEDMM C=C(C)C(C)(C)C(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588396951 1080008309 /nfs/dbraw/zinc/00/83/09/1080008309.db2.gz RMUTWYSXKUMBGI-LLVKDONJSA-N -1 1 363.491 2.541 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001588401375 1080009630 /nfs/dbraw/zinc/00/96/30/1080009630.db2.gz QPLYKSXHBZSWIN-NOZJJQNGSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001588401375 1080009639 /nfs/dbraw/zinc/00/96/39/1080009639.db2.gz QPLYKSXHBZSWIN-NOZJJQNGSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)CN(Cc1ccc(CO)o1)c1snc(Cl)c1-c1nnn[n-]1 ZINC001588426230 1080023405 /nfs/dbraw/zinc/02/34/05/1080023405.db2.gz QWKXJYSAVRDQOO-UHFFFAOYSA-N -1 1 366.834 2.645 20 30 FFEDMM C=C(C)CN(Cc1ccc(CO)o1)c1snc(Cl)c1-c1nn[n-]n1 ZINC001588426230 1080023413 /nfs/dbraw/zinc/02/34/13/1080023413.db2.gz QWKXJYSAVRDQOO-UHFFFAOYSA-N -1 1 366.834 2.645 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H](C)CC1 ZINC001588438227 1080027998 /nfs/dbraw/zinc/02/79/98/1080027998.db2.gz NRVLTYZEUOIXBE-ZDUSSCGKSA-N -1 1 368.445 2.921 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H](C)CC1 ZINC001588438227 1080028005 /nfs/dbraw/zinc/02/80/05/1080028005.db2.gz NRVLTYZEUOIXBE-ZDUSSCGKSA-N -1 1 368.445 2.921 20 30 FFEDMM C=CCC1(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CCOCC1 ZINC001588557936 1080096716 /nfs/dbraw/zinc/09/67/16/1080096716.db2.gz WYYMHYRZBVNXAD-UHFFFAOYSA-N -1 1 359.434 2.923 20 30 FFEDMM C=CCCCC(=O)N(C)[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588583623 1080108410 /nfs/dbraw/zinc/10/84/10/1080108410.db2.gz ZLLUOMHIUCKPOS-SECBINFHSA-N -1 1 369.882 2.592 20 30 FFEDMM C=CCCCC(=O)N(C)[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588583623 1080108413 /nfs/dbraw/zinc/10/84/13/1080108413.db2.gz ZLLUOMHIUCKPOS-SECBINFHSA-N -1 1 369.882 2.592 20 30 FFEDMM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001588623794 1080126470 /nfs/dbraw/zinc/12/64/70/1080126470.db2.gz XUCCLAYUUIPWLX-HNNXBMFYSA-N -1 1 370.371 2.817 20 30 FFEDMM C=CCn1c(Sc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccccc1 ZINC001588711036 1080166017 /nfs/dbraw/zinc/16/60/17/1080166017.db2.gz IECVYFGEULKUCZ-UHFFFAOYSA-N -1 1 362.422 2.857 20 30 FFEDMM C=CCn1c(Sc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccccc1 ZINC001588711036 1080166024 /nfs/dbraw/zinc/16/60/24/1080166024.db2.gz IECVYFGEULKUCZ-UHFFFAOYSA-N -1 1 362.422 2.857 20 30 FFEDMM C=CC[C@H](C(=O)[O-])[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001588727617 1080173566 /nfs/dbraw/zinc/17/35/66/1080173566.db2.gz DLHRUXBJXGBCBJ-GOSISDBHSA-N -1 1 374.462 2.949 20 30 FFEDMM C=CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001588727617 1080173570 /nfs/dbraw/zinc/17/35/70/1080173570.db2.gz DLHRUXBJXGBCBJ-GOSISDBHSA-N -1 1 374.462 2.949 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCC(F)(F)C(F)(F)F)o1 ZINC001589238361 1080440563 /nfs/dbraw/zinc/44/05/63/1080440563.db2.gz UVTYPTYUVMNBQS-UHFFFAOYSA-N -1 1 353.255 2.748 20 30 FFEDMM Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(-c2cnn(C)c2)c1 ZINC000375012381 512119829 /nfs/dbraw/zinc/11/98/29/512119829.db2.gz VHAZKZMZIPPNFQ-GHOSXJJBSA-N -1 1 350.374 2.624 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(CCOCc3ccccc3)CC2)o1 ZINC000287601684 257098158 /nfs/dbraw/zinc/09/81/58/257098158.db2.gz ZEDGQGLFEFAXAH-UHFFFAOYSA-N -1 1 360.435 2.817 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000066855971 506670454 /nfs/dbraw/zinc/67/04/54/506670454.db2.gz HIQYAXGKOZSZDQ-JTQLQIEISA-N -1 1 365.436 2.574 20 30 FFEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000026547948 507597833 /nfs/dbraw/zinc/59/78/33/507597833.db2.gz QBWGZEUDAHBRDF-UHFFFAOYSA-N -1 1 355.419 2.783 20 30 FFEDMM C[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000064346333 507791731 /nfs/dbraw/zinc/79/17/31/507791731.db2.gz YOZYGXIZALRZKO-LBPRGKRZSA-N -1 1 361.398 2.658 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000108400036 507893389 /nfs/dbraw/zinc/89/33/89/507893389.db2.gz HZBFEDTXTXNJFB-HNNXBMFYSA-N -1 1 360.439 2.635 20 30 FFEDMM N#CC1(NC(=O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)CCCCC1 ZINC000078657570 507894218 /nfs/dbraw/zinc/89/42/18/507894218.db2.gz JEWZPTCUJXMHLF-UHFFFAOYSA-N -1 1 369.465 2.630 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1C(=O)N(C)C ZINC000080942140 508116122 /nfs/dbraw/zinc/11/61/22/508116122.db2.gz YRLCHRXKKQJSRC-UHFFFAOYSA-N -1 1 357.435 2.678 20 30 FFEDMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccco1 ZINC000103159137 508299740 /nfs/dbraw/zinc/29/97/40/508299740.db2.gz XNHLRHODWIUTDX-MRXNPFEDSA-N -1 1 366.414 2.983 20 30 FFEDMM N#C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000114311241 508303553 /nfs/dbraw/zinc/30/35/53/508303553.db2.gz UGDQERRXQHELKF-MRXNPFEDSA-N -1 1 355.825 2.896 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000114673418 508335490 /nfs/dbraw/zinc/33/54/90/508335490.db2.gz POMPUVVFNDNOFW-UHFFFAOYSA-N -1 1 352.419 2.912 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000116711776 508550085 /nfs/dbraw/zinc/55/00/85/508550085.db2.gz NBAFZRXUEZDJSX-HSZRJFAPSA-N -1 1 362.476 2.854 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(F)cc1F ZINC000137230618 508746465 /nfs/dbraw/zinc/74/64/65/508746465.db2.gz PTTJNSBITUJRCR-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000120143573 508937178 /nfs/dbraw/zinc/93/71/78/508937178.db2.gz MHBQMCVUSGYPPO-AWEZNQCLSA-N -1 1 361.398 2.658 20 30 FFEDMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000125489303 508989720 /nfs/dbraw/zinc/98/97/20/508989720.db2.gz IMWFZDCLXPXDMA-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121273535 509160919 /nfs/dbraw/zinc/16/09/19/509160919.db2.gz KLPUXDDGTAUGSM-UHFFFAOYSA-N -1 1 373.825 2.808 20 30 FFEDMM N#Cc1ccc(C(=O)NCCOc2ncc(Cl)cc2Cl)cc1[O-] ZINC000188781691 509260420 /nfs/dbraw/zinc/26/04/20/509260420.db2.gz LGDCPWADBXDIDX-UHFFFAOYSA-N -1 1 352.177 2.774 20 30 FFEDMM COc1cc(Br)ccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189224119 509470238 /nfs/dbraw/zinc/47/02/38/509470238.db2.gz NLHHGSHNERIMEK-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM Cc1nc(C[NH+]2CCC(C/N=C/c3c(CO)cnc(C)c3O)CC2)oc1C ZINC000264627094 509618837 /nfs/dbraw/zinc/61/88/37/509618837.db2.gz JXCXUJBYNJDHAB-UFFVCSGVSA-N -1 1 372.469 2.524 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3CC#N)cc2C[C@@H]1C ZINC000193361413 509880260 /nfs/dbraw/zinc/88/02/60/509880260.db2.gz SOOISDDZXXISJG-ZDUSSCGKSA-N -1 1 369.446 2.851 20 30 FFEDMM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cccc1N1CCNC1=O ZINC000190949078 510429221 /nfs/dbraw/zinc/42/92/21/510429221.db2.gz JGLSTFNPAWCTOS-OAHLLOKOSA-N -1 1 371.400 2.958 20 30 FFEDMM C[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000194722759 510496089 /nfs/dbraw/zinc/49/60/89/510496089.db2.gz QHUVQLYKCRJWEG-GFCCVEGCSA-N -1 1 361.398 2.658 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000172123826 510555427 /nfs/dbraw/zinc/55/54/27/510555427.db2.gz ZQJXZURTAAOYHJ-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1 ZINC000195065719 510656254 /nfs/dbraw/zinc/65/62/54/510656254.db2.gz BBXVIEKJHBERQT-LBPRGKRZSA-N -1 1 374.441 2.899 20 30 FFEDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000195073527 510659429 /nfs/dbraw/zinc/65/94/29/510659429.db2.gz FCYMMBSBNLFZSI-VIFPVBQESA-N -1 1 374.491 2.873 20 30 FFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000188377048 510736833 /nfs/dbraw/zinc/73/68/33/510736833.db2.gz JQPFBWPNWWWVFF-MRXNPFEDSA-N -1 1 369.808 2.795 20 30 FFEDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2snc(C)c2C#N)cc1OC ZINC000298759555 511401856 /nfs/dbraw/zinc/40/18/56/511401856.db2.gz VEUIHMPQMKFTTE-UHFFFAOYSA-N -1 1 362.367 2.891 20 30 FFEDMM N#CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000323406335 511830202 /nfs/dbraw/zinc/83/02/02/511830202.db2.gz OTQTVPGZEQKABD-UHFFFAOYSA-N -1 1 350.783 2.905 20 30 FFEDMM C[C@H](CC#N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000364134655 511977214 /nfs/dbraw/zinc/97/72/14/511977214.db2.gz OLTDIPANOAUTCV-DYVFJYSZSA-N -1 1 351.406 2.568 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000371785009 512573265 /nfs/dbraw/zinc/57/32/65/512573265.db2.gz HOBDHBRUHUIWNB-AEFFLSMTSA-N -1 1 358.401 2.835 20 30 FFEDMM N#Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)ccc1F ZINC000376104688 512662840 /nfs/dbraw/zinc/66/28/40/512662840.db2.gz XKDLIHSIKVDANU-CQSZACIVSA-N -1 1 374.738 2.522 20 30 FFEDMM N#CC[C@@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000397594786 512947915 /nfs/dbraw/zinc/94/79/15/512947915.db2.gz LDSGMGNEXJEXPO-JTQLQIEISA-N -1 1 370.190 2.763 20 30 FFEDMM CC(C)(C#N)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436718094 513955554 /nfs/dbraw/zinc/95/55/54/513955554.db2.gz WIZNMMNXGDHCPQ-QGZVFWFLSA-N -1 1 365.433 2.816 20 30 FFEDMM N#CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436843606 514003769 /nfs/dbraw/zinc/00/37/69/514003769.db2.gz JBNKXURCPOKWDX-QGZVFWFLSA-N -1 1 351.406 2.570 20 30 FFEDMM C=CCN(C(=O)c1ncccc1[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444386885 514218845 /nfs/dbraw/zinc/21/88/45/514218845.db2.gz YBBSRQZLNYEXHZ-INIZCTEOSA-N -1 1 354.406 2.590 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000507936332 514617511 /nfs/dbraw/zinc/61/75/11/514617511.db2.gz JZGRLXJZHZSIRP-UHFFFAOYSA-N -1 1 361.423 2.726 20 30 FFEDMM N#Cc1cc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)ccc1Cl ZINC000498023542 514728563 /nfs/dbraw/zinc/72/85/63/514728563.db2.gz UGJMFDPNIBZKSV-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM COc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)ccc1[N-]S(C)(=O)=O ZINC000461902818 514776819 /nfs/dbraw/zinc/77/68/19/514776819.db2.gz SESDRJFCGHJCMR-GFCCVEGCSA-N -1 1 373.434 2.681 20 30 FFEDMM N[C@@](C(=O)[N-]CC(F)(F)C(F)F)(c1cccc(F)c1)C(F)(F)F ZINC000508467135 514789650 /nfs/dbraw/zinc/78/96/50/514789650.db2.gz MIXYCPUYDYPTGN-LLVKDONJSA-N -1 1 350.209 2.559 20 30 FFEDMM COc1cccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000467143402 514916179 /nfs/dbraw/zinc/91/61/79/514916179.db2.gz DVRBXVVNYRYFGK-JTQLQIEISA-N -1 1 352.362 2.885 20 30 FFEDMM CC#CCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000476510472 515079189 /nfs/dbraw/zinc/07/91/89/515079189.db2.gz DAXKITXTSCXDMG-UHFFFAOYSA-N -1 1 354.628 2.933 20 30 FFEDMM N#Cc1ncccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000511349821 515873411 /nfs/dbraw/zinc/87/34/11/515873411.db2.gz HICCZIJWKYBRDJ-UHFFFAOYSA-N -1 1 357.769 2.677 20 30 FFEDMM Cc1cn(-c2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2)c(=O)[nH]1 ZINC000478679142 515921329 /nfs/dbraw/zinc/92/13/29/515921329.db2.gz BWYUHJLITCQCJT-UHFFFAOYSA-N -1 1 368.418 2.753 20 30 FFEDMM N#CC1(CS(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])CCCCC1 ZINC000547938015 516643548 /nfs/dbraw/zinc/64/35/48/516643548.db2.gz JURSHUCOFOPDNY-UHFFFAOYSA-N -1 1 367.383 2.509 20 30 FFEDMM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cn1 ZINC000532320500 516910152 /nfs/dbraw/zinc/91/01/52/516910152.db2.gz VXDMHNOXIRRFDP-SNVBAGLBSA-N -1 1 354.382 2.653 20 30 FFEDMM COc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1[N-]S(C)(=O)=O ZINC000562222027 516964666 /nfs/dbraw/zinc/96/46/66/516964666.db2.gz WLBXHMQUEQTHEB-UHFFFAOYSA-N -1 1 368.459 2.518 20 30 FFEDMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(C)c1 ZINC000532451229 516984844 /nfs/dbraw/zinc/98/48/44/516984844.db2.gz LPCPEPCDHGGAAA-UHFFFAOYSA-N -1 1 352.362 2.632 20 30 FFEDMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC2(C#N)CCCC2)CCCC1 ZINC000545362501 517200755 /nfs/dbraw/zinc/20/07/55/517200755.db2.gz NVGCCWLDYQDVSB-UHFFFAOYSA-N -1 1 356.488 2.644 20 30 FFEDMM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2C1 ZINC000548797786 517222542 /nfs/dbraw/zinc/22/25/42/517222542.db2.gz ZOJJYTIZRPEOPH-SECBINFHSA-N -1 1 364.448 2.993 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000515181735 517241586 /nfs/dbraw/zinc/24/15/86/517241586.db2.gz PEVSOOJGARILND-UHFFFAOYSA-N -1 1 355.419 2.595 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)cc1[O-] ZINC000526949671 517403426 /nfs/dbraw/zinc/40/34/26/517403426.db2.gz JHBLMEYPAWAQBW-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1 ZINC000538139154 517478812 /nfs/dbraw/zinc/47/88/12/517478812.db2.gz QDNPUBDEYLTSMD-UHFFFAOYSA-N -1 1 360.435 2.550 20 30 FFEDMM Cc1cnc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000553503524 517749932 /nfs/dbraw/zinc/74/99/32/517749932.db2.gz VTJTZEMDSGTRGE-UHFFFAOYSA-N -1 1 372.269 2.564 20 30 FFEDMM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553839847 517929199 /nfs/dbraw/zinc/92/91/99/517929199.db2.gz XEFGRYFEIAJIPG-MAUKXSAKSA-N -1 1 360.435 2.906 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1F ZINC000564663326 518553122 /nfs/dbraw/zinc/55/31/22/518553122.db2.gz CRHCPZNXVGABRQ-SNVBAGLBSA-N -1 1 365.333 2.736 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCOc2cccc(Cl)c2Cl)o1 ZINC000576489425 518618361 /nfs/dbraw/zinc/61/83/61/518618361.db2.gz SMPPBAYHDIXQFF-UHFFFAOYSA-N -1 1 361.206 2.815 20 30 FFEDMM CC#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000579635784 518776386 /nfs/dbraw/zinc/77/63/86/518776386.db2.gz HOGPMEPINWASBL-UHFFFAOYSA-N -1 1 356.447 2.891 20 30 FFEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000588942820 518876356 /nfs/dbraw/zinc/87/63/56/518876356.db2.gz NAOXJWQVYPKTOT-VIFPVBQESA-N -1 1 354.325 2.941 20 30 FFEDMM COCCOc1ccc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589170093 518938089 /nfs/dbraw/zinc/93/80/89/518938089.db2.gz JIFXATKTNLDPSQ-CYBMUJFWSA-N -1 1 370.405 2.789 20 30 FFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000589180137 518942082 /nfs/dbraw/zinc/94/20/82/518942082.db2.gz KSYJTGLLBDSCHN-QGZVFWFLSA-N -1 1 369.808 2.795 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CC23CC3)cc1Br ZINC000580052377 518981172 /nfs/dbraw/zinc/98/11/72/518981172.db2.gz QVQGVDALVZJGEF-VIFPVBQESA-N -1 1 359.220 2.538 20 30 FFEDMM Cn1cc(-c2nc3ccccn3c2NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000589840580 519090569 /nfs/dbraw/zinc/09/05/69/519090569.db2.gz FWFLFVGGWXRFMR-UHFFFAOYSA-N -1 1 358.361 2.564 20 30 FFEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)cc2)n1 ZINC000589962051 519113687 /nfs/dbraw/zinc/11/36/87/519113687.db2.gz ZNJHSHVLBJCSCB-UHFFFAOYSA-N -1 1 367.434 2.865 20 30 FFEDMM N#CC1(CNC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000575071611 519484439 /nfs/dbraw/zinc/48/44/39/519484439.db2.gz VHVBHVUREVMCEI-UHFFFAOYSA-N -1 1 370.434 2.913 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c(F)c1 ZINC000616430890 520013238 /nfs/dbraw/zinc/01/32/38/520013238.db2.gz ZQESGPZRCBYKRZ-CQSZACIVSA-N -1 1 368.336 2.529 20 30 FFEDMM COC(=O)c1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C#N)n1 ZINC000594566697 520031653 /nfs/dbraw/zinc/03/16/53/520031653.db2.gz YODNTRAZBWZBJC-UHFFFAOYSA-N -1 1 365.389 2.545 20 30 FFEDMM CCOc1cc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc(Cl)c1[O-] ZINC000613019245 520272855 /nfs/dbraw/zinc/27/28/55/520272855.db2.gz WHBLXXWTKQCVLZ-HNNXBMFYSA-N -1 1 365.861 2.750 20 30 FFEDMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000595335759 520415320 /nfs/dbraw/zinc/41/53/20/520415320.db2.gz CNQYHBVVYUKRIO-OAHLLOKOSA-N -1 1 374.418 2.602 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610358936 520649956 /nfs/dbraw/zinc/64/99/56/520649956.db2.gz BUMQPZSPZXJWJB-ZDUSSCGKSA-N -1 1 373.416 2.844 20 30 FFEDMM COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3cc([O-])cc(C#N)c3)C2)s1 ZINC000598561655 520706833 /nfs/dbraw/zinc/70/68/33/520706833.db2.gz KMIXMUIZYVVZJB-GFCCVEGCSA-N -1 1 371.418 2.527 20 30 FFEDMM CCc1[n-][nH]c(=NC(=O)c2cc3ccccc3n2CC#N)c1Br ZINC000610494228 520714066 /nfs/dbraw/zinc/71/40/66/520714066.db2.gz ZPUIARPOKWZMCH-UHFFFAOYSA-N -1 1 372.226 2.887 20 30 FFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000598628249 520751547 /nfs/dbraw/zinc/75/15/47/520751547.db2.gz NCBWBTQPGXDLSY-CQSZACIVSA-N -1 1 373.381 2.959 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1cc(C)cc(C)c1 ZINC000601393843 520772160 /nfs/dbraw/zinc/77/21/60/520772160.db2.gz JNGJYNFPXITAQM-SFHVURJKSA-N -1 1 372.446 2.562 20 30 FFEDMM CN1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000614304870 520900041 /nfs/dbraw/zinc/90/00/41/520900041.db2.gz VYHABTSJDASWNT-QZTJIDSGSA-N -1 1 357.360 2.717 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000614374076 520931516 /nfs/dbraw/zinc/93/15/16/520931516.db2.gz ZIKPDVMKKDGVJZ-MRXNPFEDSA-N -1 1 373.771 2.592 20 30 FFEDMM CC(C)O[C@]1(CS(=O)(=O)[N-]c2ccc(C#N)cc2Cl)CCOC1 ZINC000601976606 521052316 /nfs/dbraw/zinc/05/23/16/521052316.db2.gz HLFVMXDTXCJZQN-OAHLLOKOSA-N -1 1 358.847 2.537 20 30 FFEDMM COc1ccc(Cl)c(N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000593754952 521195755 /nfs/dbraw/zinc/19/57/55/521195755.db2.gz VGBAVQQPIWHMNE-UHFFFAOYSA-N -1 1 371.824 2.888 20 30 FFEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)C(F)(F)F)cc1[O-] ZINC000615485026 521419077 /nfs/dbraw/zinc/41/90/77/521419077.db2.gz MGJQOQJZLPQPKA-MRXNPFEDSA-N -1 1 364.323 2.829 20 30 FFEDMM N#CC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000619565213 521770751 /nfs/dbraw/zinc/77/07/51/521770751.db2.gz ZVZDDPDKFDVISL-QGZVFWFLSA-N -1 1 363.417 2.570 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000737306233 598930771 /nfs/dbraw/zinc/93/07/71/598930771.db2.gz PEUQGVDXNATRIK-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM N#Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000737710293 598980756 /nfs/dbraw/zinc/98/07/56/598980756.db2.gz STPRVAOVLQFJBA-UHFFFAOYSA-N -1 1 374.389 2.509 20 30 FFEDMM N#Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000737710293 598980757 /nfs/dbraw/zinc/98/07/57/598980757.db2.gz STPRVAOVLQFJBA-UHFFFAOYSA-N -1 1 374.389 2.509 20 30 FFEDMM N#Cc1ccc(OCCNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000822833816 599048887 /nfs/dbraw/zinc/04/88/87/599048887.db2.gz WFIFRRQETXCSOX-UHFFFAOYSA-N -1 1 357.377 2.777 20 30 FFEDMM N#Cc1ccc(OCCNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000822833816 599048889 /nfs/dbraw/zinc/04/88/89/599048889.db2.gz WFIFRRQETXCSOX-UHFFFAOYSA-N -1 1 357.377 2.777 20 30 FFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](CC(=O)[O-])C2)c1C ZINC000818944426 597086405 /nfs/dbraw/zinc/08/64/05/597086405.db2.gz SYTXYZDTRQYSPQ-QGZVFWFLSA-N -1 1 357.454 2.737 20 30 FFEDMM CC1CCN([C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c2cccs2)CC1 ZINC000820237735 598222500 /nfs/dbraw/zinc/22/25/00/598222500.db2.gz CPDOFNNHUMSNLS-KSSFIOAISA-N -1 1 363.483 2.642 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736308751 598401856 /nfs/dbraw/zinc/40/18/56/598401856.db2.gz HQVWMNFJZDVJJQ-LBPRGKRZSA-N -1 1 366.356 2.830 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736308751 598401857 /nfs/dbraw/zinc/40/18/57/598401857.db2.gz HQVWMNFJZDVJJQ-LBPRGKRZSA-N -1 1 366.356 2.830 20 30 FFEDMM CCc1cccc(C)c1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821492178 599334818 /nfs/dbraw/zinc/33/48/18/599334818.db2.gz JKWANRXPWCVJSH-UHFFFAOYSA-N -1 1 355.427 2.651 20 30 FFEDMM CCc1cccc(C)c1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821492178 599334820 /nfs/dbraw/zinc/33/48/20/599334820.db2.gz JKWANRXPWCVJSH-UHFFFAOYSA-N -1 1 355.427 2.651 20 30 FFEDMM N#CC(C(=O)CCc1ccc(C(=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000739074943 600101124 /nfs/dbraw/zinc/10/11/24/600101124.db2.gz NRMYDBMCWZQHFS-OAHLLOKOSA-N -1 1 352.394 2.512 20 30 FFEDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OCC#N ZINC000760361391 602119274 /nfs/dbraw/zinc/11/92/74/602119274.db2.gz VQKOVLWOAFLBCW-UHFFFAOYSA-N -1 1 364.354 2.536 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000740130533 602793368 /nfs/dbraw/zinc/79/33/68/602793368.db2.gz OCLJFEIUHGQSAM-RYRKJORJSA-N -1 1 372.469 2.608 20 30 FFEDMM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826180352 607645944 /nfs/dbraw/zinc/64/59/44/607645944.db2.gz DDWDLBIMOJIGFZ-DAXSKMNVSA-N -1 1 369.406 2.791 20 30 FFEDMM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833596342 604618289 /nfs/dbraw/zinc/61/82/89/604618289.db2.gz MWISTVGVQBUHCA-KGLIPLIRSA-N -1 1 373.453 2.992 20 30 FFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000779844403 605597267 /nfs/dbraw/zinc/59/72/67/605597267.db2.gz IGFZIENTVLOPDC-JTQLQIEISA-N -1 1 364.354 2.616 20 30 FFEDMM COc1cc(C)c(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1OC ZINC000821708756 606341672 /nfs/dbraw/zinc/34/16/72/606341672.db2.gz YUSFSMXUHXJBSE-UHFFFAOYSA-N -1 1 371.401 2.750 20 30 FFEDMM C=CCCC(=O)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000823888197 608056982 /nfs/dbraw/zinc/05/69/82/608056982.db2.gz HDUACWSBWLNWOD-UHFFFAOYSA-N -1 1 373.438 2.553 20 30 FFEDMM C=CCCC(=O)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000823888197 608056983 /nfs/dbraw/zinc/05/69/83/608056983.db2.gz HDUACWSBWLNWOD-UHFFFAOYSA-N -1 1 373.438 2.553 20 30 FFEDMM COCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826162507 608091982 /nfs/dbraw/zinc/09/19/82/608091982.db2.gz FLPYFRQTRSZPRB-DAXSKMNVSA-N -1 1 356.407 2.850 20 30 FFEDMM COCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826162507 608091983 /nfs/dbraw/zinc/09/19/83/608091983.db2.gz FLPYFRQTRSZPRB-DAXSKMNVSA-N -1 1 356.407 2.850 20 30 FFEDMM CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823954060 608092285 /nfs/dbraw/zinc/09/22/85/608092285.db2.gz XEVLRLUZFLLOKD-MWLCHTKSSA-N -1 1 363.516 2.695 20 30 FFEDMM N#Cc1cccc(COc2cccc(Nc3ccc(-c4nnn[n-]4)nn3)c2)c1 ZINC000826386905 608398579 /nfs/dbraw/zinc/39/85/79/608398579.db2.gz XXBKIAGQTKHYKA-UHFFFAOYSA-N -1 1 370.376 2.851 20 30 FFEDMM N#Cc1cccc(COc2cccc(Nc3ccc(-c4nn[n-]n4)nn3)c2)c1 ZINC000826386905 608398580 /nfs/dbraw/zinc/39/85/80/608398580.db2.gz XXBKIAGQTKHYKA-UHFFFAOYSA-N -1 1 370.376 2.851 20 30 FFEDMM COc1ccc(Br)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000158675222 728892172 /nfs/dbraw/zinc/89/21/72/728892172.db2.gz UWAQFYDVZFHZEF-YFCVBGDOSA-N -1 1 365.179 2.686 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1 ZINC000114673695 728562417 /nfs/dbraw/zinc/56/24/17/728562417.db2.gz ZSRIVFNGLYIROR-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM C=CCOc1cccnc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000121563806 728631111 /nfs/dbraw/zinc/63/11/11/728631111.db2.gz JXMUHVYQYUSQHL-UHFFFAOYSA-N -1 1 350.172 2.762 20 30 FFEDMM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)C2CC2)n1 ZINC000122275176 728645809 /nfs/dbraw/zinc/64/58/09/728645809.db2.gz ROILRDGCWDCNGC-CQSZACIVSA-N -1 1 351.428 2.892 20 30 FFEDMM C[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000125822744 728688291 /nfs/dbraw/zinc/68/82/91/728688291.db2.gz FYMMZWJJXDETCW-NSHDSACASA-N -1 1 363.826 2.783 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(F)ccc2Br)c(=O)o1 ZINC000134630993 728731629 /nfs/dbraw/zinc/73/16/29/728731629.db2.gz KRWKQHNTTOYSIJ-IWZWCOEHSA-N -1 1 353.143 2.816 20 30 FFEDMM C#CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000172944144 729036455 /nfs/dbraw/zinc/03/64/55/729036455.db2.gz CTYQIGYBOYDRFA-UHFFFAOYSA-N -1 1 360.410 2.770 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000185356187 729347582 /nfs/dbraw/zinc/34/75/82/729347582.db2.gz ZRUAWNRTSCCXRW-HNNXBMFYSA-N -1 1 356.447 2.856 20 30 FFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000233294883 729552618 /nfs/dbraw/zinc/55/26/18/729552618.db2.gz ATKNZKJPSJPWQA-VIFPVBQESA-N -1 1 351.653 2.578 20 30 FFEDMM CCCCCCCCCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000869212691 731375775 /nfs/dbraw/zinc/37/57/75/731375775.db2.gz HZARFZPLNHMAAE-UHFFFAOYSA-N -1 1 350.463 2.805 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccccc1 ZINC000882304699 733206169 /nfs/dbraw/zinc/20/61/69/733206169.db2.gz LFCBEUOOGDUGMO-AOMKIAJQSA-N -1 1 354.497 2.626 20 30 FFEDMM Cc1cc(COC(=O)c2sccc2[N-]S(C)(=O)=O)ccc1C#N ZINC000783022188 738773506 /nfs/dbraw/zinc/77/35/06/738773506.db2.gz BJQFIQHALCVWNC-UHFFFAOYSA-N -1 1 350.421 2.657 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)C(C)(C)C ZINC000702267196 734356139 /nfs/dbraw/zinc/35/61/39/734356139.db2.gz RECJBPPLJAIYFD-SNVBAGLBSA-N -1 1 365.680 2.824 20 30 FFEDMM C=CCNC(=S)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000726493462 734431077 /nfs/dbraw/zinc/43/10/77/734431077.db2.gz MLEXAJBTJYHVLO-UHFFFAOYSA-N -1 1 361.492 2.638 20 30 FFEDMM C#CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000733883469 734856165 /nfs/dbraw/zinc/85/61/65/734856165.db2.gz ISJKSSDPCGSCQG-UHFFFAOYSA-N -1 1 360.410 2.768 20 30 FFEDMM C#CC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000733883695 734856268 /nfs/dbraw/zinc/85/62/68/734856268.db2.gz ZDHSEHORKHQRLM-UHFFFAOYSA-N -1 1 356.447 2.937 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCC[C@H](C3CC3)C2)cc1 ZINC000737434048 735009103 /nfs/dbraw/zinc/00/91/03/735009103.db2.gz LACLCZVGGSDORK-AWEZNQCLSA-N -1 1 351.428 2.970 20 30 FFEDMM C#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000742788056 735256319 /nfs/dbraw/zinc/25/63/19/735256319.db2.gz ARLUFYURJMDHRT-UHFFFAOYSA-N -1 1 356.447 2.939 20 30 FFEDMM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747242547 735548433 /nfs/dbraw/zinc/54/84/33/735548433.db2.gz YSPYFQNSTSRMNZ-UHFFFAOYSA-N -1 1 351.384 2.938 20 30 FFEDMM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747242547 735548437 /nfs/dbraw/zinc/54/84/37/735548437.db2.gz YSPYFQNSTSRMNZ-UHFFFAOYSA-N -1 1 351.384 2.938 20 30 FFEDMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000747604174 735572547 /nfs/dbraw/zinc/57/25/47/735572547.db2.gz DJDUHGFXVWUXJF-WDZFZDKYSA-N -1 1 356.403 2.740 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000748255109 735630755 /nfs/dbraw/zinc/63/07/55/735630755.db2.gz LRLASDYPPQQKHK-UHFFFAOYSA-N 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736358261 /nfs/dbraw/zinc/35/82/61/736358261.db2.gz UQGTWZWXFGROQU-JTQLQIEISA-N -1 1 353.350 2.633 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000756890124 736370509 /nfs/dbraw/zinc/37/05/09/736370509.db2.gz HRTHUDXQFNWGCY-MFKMUULPSA-N -1 1 365.817 2.534 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000757597805 736412149 /nfs/dbraw/zinc/41/21/49/736412149.db2.gz UEBADZGZVBLJHZ-MFKMUULPSA-N -1 1 365.817 2.534 20 30 FFEDMM CC(Cc1cccc(F)c1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000759204605 736554909 /nfs/dbraw/zinc/55/49/09/736554909.db2.gz FTFQZTDCKQMFMB-UHFFFAOYSA-N -1 1 351.359 2.631 20 30 FFEDMM O=C([O-])c1ccc(NN=Cc2cc3c(cc2Br)OCO3)nc1 ZINC000763367454 736932116 /nfs/dbraw/zinc/93/21/16/736932116.db2.gz ACAVOZKWTHAWNP-UHFFFAOYSA-N -1 1 364.155 2.717 20 30 FFEDMM COc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1C#N ZINC000765003923 737071259 /nfs/dbraw/zinc/07/12/59/737071259.db2.gz VDJYNABIZFPMNH-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM N#Cc1ccccc1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765737293 737151240 /nfs/dbraw/zinc/15/12/40/737151240.db2.gz UJCSRLFRJULWPK-UHFFFAOYSA-N -1 1 361.195 2.722 20 30 FFEDMM CCCOc1c(Cl)cc(C=Nn2c(=O)cn[n-]c2=S)cc1OCC ZINC000766483172 737233666 /nfs/dbraw/zinc/23/36/66/737233666.db2.gz UMKAVHMUHDJYAW-UHFFFAOYSA-N -1 1 368.846 2.650 20 30 FFEDMM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000917509652 737761613 /nfs/dbraw/zinc/76/16/13/737761613.db2.gz YOPJNCLQXLUYEX-NSHDSACASA-N -1 1 356.363 2.673 20 30 FFEDMM C[C@H](CN=Nc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(C(F)(F)F)cc1 ZINC000789018612 739308758 /nfs/dbraw/zinc/30/87/58/739308758.db2.gz XVBMKYYVNIFMOG-MRVPVSSYSA-N -1 1 350.304 2.652 20 30 FFEDMM Cc1nn(C)c(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)c1Br ZINC000806558380 741069296 /nfs/dbraw/zinc/06/92/96/741069296.db2.gz BAHRQQWUQJZIAM-WAYWQWQTSA-N -1 1 365.183 2.791 20 30 FFEDMM CCO[C@@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)[C@@H]1SC ZINC000807970978 741175202 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C=CCCCCCCCCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001573334255 947451984 /nfs/dbraw/zinc/45/19/84/947451984.db2.gz BYDQHIGKUXNUNE-UHFFFAOYSA-N -1 1 358.446 2.922 20 30 FFEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001573342142 947538635 /nfs/dbraw/zinc/53/86/35/947538635.db2.gz UMNHJGGSMGLTAB-UHFFFAOYSA-N -1 1 355.423 2.765 20 30 FFEDMM N#Cc1ncn(Cc2ccc(-c3ccccc3C#N)cc2)c1-c1nn[n-]n1 ZINC000826387113 948189744 /nfs/dbraw/zinc/18/97/44/948189744.db2.gz GWMBEKCVVBKAOB-UHFFFAOYSA-N -1 1 352.361 2.522 20 30 FFEDMM CC[C@H](C)[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC001593613978 953481402 /nfs/dbraw/zinc/48/14/02/953481402.db2.gz PCMDXIBMNRAJBP-DCGLDWPTSA-N -1 1 363.483 2.966 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001174677273 1013271682 /nfs/dbraw/zinc/27/16/82/1013271682.db2.gz IBORPZGNYJQDSA-UHFFFAOYSA-N -1 1 366.421 2.760 20 30 FFEDMM C=CC[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3C)C2=O)C1 ZINC000656479618 963650018 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N#CCc1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001167935809 978191076 /nfs/dbraw/zinc/19/10/76/978191076.db2.gz CSPQKGQKJIYVAV-UHFFFAOYSA-N -1 1 373.305 2.746 20 30 FFEDMM N#C[C@@]1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC2CCC1CC2 ZINC000907959643 981332907 /nfs/dbraw/zinc/33/29/07/981332907.db2.gz LPCFOVRNSHALDI-AJUCZRQESA-N -1 1 371.403 2.624 20 30 FFEDMM Cc1c(C=NNc2ccccc2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000912803602 984120504 /nfs/dbraw/zinc/12/05/04/984120504.db2.gz MZOGJYWFTBPUEQ-UHFFFAOYSA-N -1 1 350.378 2.629 20 30 FFEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000765573438 985203288 /nfs/dbraw/zinc/20/32/88/985203288.db2.gz ZABYTSZXRZGVCA-UHFFFAOYSA-N -1 1 355.310 2.624 20 30 FFEDMM C=C(C)C(=O)OC[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877644 987978566 /nfs/dbraw/zinc/97/85/66/987978566.db2.gz PMXFSKBDUQBCON-MRVPVSSYSA-N -1 1 360.160 2.950 20 30 FFEDMM CC1(C)CCc2cc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)ccc2O1 ZINC000920375922 990841044 /nfs/dbraw/zinc/84/10/44/990841044.db2.gz QVZJHHHBXNAENF-UHFFFAOYSA-N -1 1 369.446 2.863 20 30 FFEDMM CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809677413 994579430 /nfs/dbraw/zinc/57/94/30/994579430.db2.gz MAPGBWSWOAPQRK-ZDUSSCGKSA-N -1 1 371.466 2.745 20 30 FFEDMM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000809732847 994585060 /nfs/dbraw/zinc/58/50/60/994585060.db2.gz LTMOOZPDSLWYKJ-TZMCWYRMSA-N -1 1 359.426 2.639 20 30 FFEDMM C#CC(C)(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000733978793 999162979 /nfs/dbraw/zinc/16/29/79/999162979.db2.gz WOYMEIHUFNDQEO-UHFFFAOYSA-N -1 1 374.437 2.697 20 30 FFEDMM N#Cc1ccc2nc(NC(=O)c3nn(-c4ccccc4F)cc3[O-])[nH]c2c1 ZINC001169189213 1000029900 /nfs/dbraw/zinc/02/99/00/1000029900.db2.gz BIYCQHMHUGPQOZ-UHFFFAOYSA-N -1 1 362.324 2.717 20 30 FFEDMM CCCNc1ccc(C#N)cc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001147156789 1000835100 /nfs/dbraw/zinc/83/51/00/1000835100.db2.gz QXZIVFKJHPCMOG-UHFFFAOYSA-N -1 1 352.423 2.964 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/nfs/dbraw/zinc/37/06/02/1005370602.db2.gz RCIWQTNUZUPTSF-UHFFFAOYSA-N -1 1 355.350 2.711 20 30 FFEDMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C#N ZINC001187582412 1006163530 /nfs/dbraw/zinc/16/35/30/1006163530.db2.gz RLJLTKHRSGQUDF-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM CN(C[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1)C(=O)OC(C)(C)C ZINC000776666205 1006385735 /nfs/dbraw/zinc/38/57/35/1006385735.db2.gz HFMOJSCUIOUHDC-HNNXBMFYSA-N -1 1 359.426 2.735 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1C1CC1 ZINC000882791581 1006508850 /nfs/dbraw/zinc/50/88/50/1006508850.db2.gz DGXQDBIPZRJZIF-UHFFFAOYSA-N -1 1 367.430 2.522 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1ccc(CO)o1 ZINC001189146819 1006924766 /nfs/dbraw/zinc/92/47/66/1006924766.db2.gz UMWWBEORBXNFAF-QGMBQPNBSA-N -1 1 370.390 2.559 20 30 FFEDMM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000855491248 1007368075 /nfs/dbraw/zinc/36/80/75/1007368075.db2.gz YHJOYBLJQSVBER-UHFFFAOYSA-N -1 1 367.829 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RAIQBCLFLPRRBX-HNNXBMFYSA-N -1 1 364.470 2.882 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc([O-])c(F)c(F)c2)[C@H](C#N)C1 ZINC001232971225 1036197936 /nfs/dbraw/zinc/19/79/36/1036197936.db2.gz YOJWIWAQEBZIPN-GFCCVEGCSA-N -1 1 353.369 2.615 20 30 FFEDMM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695680 1036264673 /nfs/dbraw/zinc/26/46/73/1036264673.db2.gz OYHXHOPANPYBMY-AWEZNQCLSA-N -1 1 357.414 2.811 20 30 FFEDMM N#Cc1ccc(CN2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c([O-])c1 ZINC001233385958 1036590468 /nfs/dbraw/zinc/59/04/68/1036590468.db2.gz ZONGRWPAHGZJPR-YTQUADARSA-N -1 1 369.396 2.609 20 30 FFEDMM N#CCN1CC[C@H](Oc2cc([O-])ccc2C(=O)/C=C/c2ccc(O)cc2)C1 ZINC001229270573 1036591791 /nfs/dbraw/zinc/59/17/91/1036591791.db2.gz RVDKGGKRHCBTIB-QYDWLILUSA-N -1 1 364.401 2.971 20 30 FFEDMM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140988492 1036627855 /nfs/dbraw/zinc/62/78/55/1036627855.db2.gz DLRKKRXSYCVPHX-INIZCTEOSA-N -1 1 364.396 2.584 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c([O-])c(F)c2)C[C@H]1C#N ZINC001140991290 1036637298 /nfs/dbraw/zinc/63/72/98/1036637298.db2.gz KDKVKSKURQNUHX-GFCCVEGCSA-N -1 1 353.369 2.615 20 30 FFEDMM C=C[C@@H](Oc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC ZINC001229591724 1036769583 /nfs/dbraw/zinc/76/95/83/1036769583.db2.gz UCZMOBXHIFPCPS-SBLNNXNXSA-N -1 1 370.357 2.806 20 30 FFEDMM COc1cc(/C=N/[O-])ccc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001233799084 1036770539 /nfs/dbraw/zinc/77/05/39/1036770539.db2.gz FQIUMLWDMZENAP-QEJCVBHNSA-N -1 1 361.398 2.641 20 30 FFEDMM Cc1cc(C#N)cc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000836771443 1036824185 /nfs/dbraw/zinc/82/41/85/1036824185.db2.gz SQOORZZESOTLKB-UHFFFAOYSA-N -1 1 368.359 2.789 20 30 FFEDMM COc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H](C)CON)c1 ZINC001229695449 1036834436 /nfs/dbraw/zinc/83/44/36/1036834436.db2.gz WQQLBOGEZSCYQP-QBODLPLBSA-N -1 1 359.378 2.660 20 30 FFEDMM COc1cc(OC2CN(C(C)=O)C2)ccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC001230166229 1037127341 /nfs/dbraw/zinc/12/73/41/1037127341.db2.gz IUYQUEKBVVOIAY-UXBLZVDNSA-N -1 1 367.401 2.906 20 30 FFEDMM COc1ncc(-c2ccnc3cc(C#N)ccc32)cc1[N-]S(C)(=O)=O ZINC001244793188 1038780455 /nfs/dbraw/zinc/78/04/55/1038780455.db2.gz DHHOZKFSUJXSSH-UHFFFAOYSA-N -1 1 354.391 2.549 20 30 FFEDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccc(C#N)cc1OC ZINC001209461754 1038891152 /nfs/dbraw/zinc/89/11/52/1038891152.db2.gz LDENNEVWOPBNEA-UHFFFAOYSA-N -1 1 356.407 2.928 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC001259418626 1039988061 /nfs/dbraw/zinc/98/80/61/1039988061.db2.gz IKEBNIASLBBCES-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM COCCS(=O)(=O)[N-]c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001259972784 1040322055 /nfs/dbraw/zinc/32/20/55/1040322055.db2.gz YLOXCDLTFKJOEG-UHFFFAOYSA-N -1 1 355.231 2.650 20 30 FFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC001260694899 1040728504 /nfs/dbraw/zinc/72/85/04/1040728504.db2.gz LXYAKXZUOHIRHS-UHFFFAOYSA-N -1 1 364.810 2.940 20 30 FFEDMM CCC(C#N)(CC)[N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC ZINC001261065158 1040968421 /nfs/dbraw/zinc/96/84/21/1040968421.db2.gz IPMSJQGGSWYEHV-UHFFFAOYSA-N -1 1 350.849 2.549 20 30 FFEDMM COc1ncc(Nc2cc(C#N)cn2C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC001216152059 1041963852 /nfs/dbraw/zinc/96/38/52/1041963852.db2.gz NLZAVXIPPUOSNU-UHFFFAOYSA-N -1 1 363.443 2.633 20 30 FFEDMM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2csc(C#N)c2)CCCC(C)(C)C1 ZINC001309692559 1043484544 /nfs/dbraw/zinc/48/45/44/1043484544.db2.gz IHRJDMJLYORYIE-MRXNPFEDSA-N -1 1 370.496 2.551 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)Nc2scc(C)c2C#N)[n-]c1=O ZINC001310701110 1043726206 /nfs/dbraw/zinc/72/62/06/1043726206.db2.gz MTDKCLIOAPSDQU-NSHDSACASA-N -1 1 359.411 2.801 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1CN1CCCC1=O ZINC001318842480 1044907044 /nfs/dbraw/zinc/90/70/44/1044907044.db2.gz HAWAJNADOPEFEI-UHFFFAOYSA-N -1 1 369.446 2.790 20 30 FFEDMM C[C@H](C(=O)N=C1[N-]S(=O)(=O)c2ccccc21)c1cn(C)c2ccccc12 ZINC001320392812 1045401141 /nfs/dbraw/zinc/40/11/41/1045401141.db2.gz AOJGQEUMCDRLEE-LBPRGKRZSA-N -1 1 367.430 2.547 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc2cc(F)ccc2s1 ZINC001321816227 1045816611 /nfs/dbraw/zinc/81/66/11/1045816611.db2.gz BHOMYKHOFLADEB-UHFFFAOYSA-N -1 1 360.391 2.919 20 30 FFEDMM C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001282578289 1045916687 /nfs/dbraw/zinc/91/66/87/1045916687.db2.gz YLSCZZBIMLCULT-IIBYNOLFSA-N -1 1 371.481 2.891 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cccc(OCC(F)(F)F)n2)cc1[O-] ZINC001324846543 1046252748 /nfs/dbraw/zinc/25/27/48/1046252748.db2.gz YGRRBNRCJZLHGI-UHFFFAOYSA-N -1 1 351.284 2.530 20 30 FFEDMM C=CCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2ncccc2[O-])C1 ZINC001282838102 1046298163 /nfs/dbraw/zinc/29/81/63/1046298163.db2.gz JJTQOMGCKWFAMA-BTYIYWSLSA-N -1 1 371.481 2.748 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cc1[O-] ZINC001326123584 1046776957 /nfs/dbraw/zinc/77/69/57/1046776957.db2.gz FNBKGZQMDLHCNQ-UHFFFAOYSA-N -1 1 369.384 2.928 20 30 FFEDMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cccc(C#N)c2C)n[n-]1 ZINC001328619879 1048383646 /nfs/dbraw/zinc/38/36/46/1048383646.db2.gz BCQUVJKNEGTHQI-HNNXBMFYSA-N -1 1 369.425 2.679 20 30 FFEDMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cccc(C#N)c2C)[n-]1 ZINC001328619879 1048383659 /nfs/dbraw/zinc/38/36/59/1048383659.db2.gz BCQUVJKNEGTHQI-HNNXBMFYSA-N -1 1 369.425 2.679 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cccc(C#N)c2C)n1 ZINC001328619879 1048383672 /nfs/dbraw/zinc/38/36/72/1048383672.db2.gz BCQUVJKNEGTHQI-HNNXBMFYSA-N -1 1 369.425 2.679 20 30 FFEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001292110871 1049122298 /nfs/dbraw/zinc/12/22/98/1049122298.db2.gz ZIUXJNNAABHYFI-UHFFFAOYSA-N -1 1 353.407 2.929 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1 ZINC001330730694 1049299210 /nfs/dbraw/zinc/29/92/10/1049299210.db2.gz LPFNCKNRKICRND-UHFFFAOYSA-N -1 1 355.419 2.680 20 30 FFEDMM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc([O-])c(F)c1F ZINC001297821454 1050295607 /nfs/dbraw/zinc/29/56/07/1050295607.db2.gz USVWLMYJKMCGQL-UHFFFAOYSA-N -1 1 371.347 2.773 20 30 FFEDMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001339878315 1050296525 /nfs/dbraw/zinc/29/65/25/1050296525.db2.gz QMERRHBWIHKMSR-UHFFFAOYSA-N -1 1 359.407 2.756 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 ZINC001342223879 1050814392 /nfs/dbraw/zinc/81/43/92/1050814392.db2.gz AJCPARJVJKEYSY-AWEZNQCLSA-N -1 1 366.425 2.562 20 30 FFEDMM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)c1 ZINC001309235776 1052580640 /nfs/dbraw/zinc/58/06/40/1052580640.db2.gz WCHKXWOWOLLGBP-UHFFFAOYSA-N -1 1 360.197 2.878 20 30 FFEDMM C#Cc1ccc(NC(=O)NC2(c3ncc(OC)c(=O)[n-]3)CCCC2)cc1 ZINC001346605394 1053150157 /nfs/dbraw/zinc/15/01/57/1053150157.db2.gz MWJWDAZQRCDQAG-UHFFFAOYSA-N -1 1 352.394 2.763 20 30 FFEDMM C=CCn1c([C@H](O)CC)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001338829770 1055853766 /nfs/dbraw/zinc/85/37/66/1055853766.db2.gz ORQMZAIEDHRFFT-QGZVFWFLSA-N -1 1 370.453 2.712 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001515332670 1059567446 /nfs/dbraw/zinc/56/74/46/1059567446.db2.gz LGAGDQDASXDBDX-UHFFFAOYSA-N -1 1 370.436 2.512 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC001515332670 1059567461 /nfs/dbraw/zinc/56/74/61/1059567461.db2.gz LGAGDQDASXDBDX-UHFFFAOYSA-N -1 1 370.436 2.512 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2ccccc2)[C@H]1C ZINC001520433717 1059682801 /nfs/dbraw/zinc/68/28/01/1059682801.db2.gz TWENGFXQAXEHNP-HIFRSBDPSA-N -1 1 350.426 2.942 20 30 FFEDMM COc1cnc(C2(NC(=O)C=Cc3ccccc3C#N)CCCC2)[n-]c1=O ZINC001456402459 1060116416 /nfs/dbraw/zinc/11/64/16/1060116416.db2.gz VIRAJLPFWSMLLK-CMDGGOBGSA-N -1 1 364.405 2.661 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCSC(C)(C)C1 ZINC001355974927 1060774498 /nfs/dbraw/zinc/77/44/98/1060774498.db2.gz CUIIUOCDMGRGRE-UHFFFAOYSA-N -1 1 353.883 2.625 20 30 FFEDMM C#CC[C@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2Cc2ccccc2)C1 ZINC001521864869 1061178314 /nfs/dbraw/zinc/17/83/14/1061178314.db2.gz QKTPDGMECRIGFM-HNNXBMFYSA-N -1 1 362.437 2.662 20 30 FFEDMM N#Cc1ccc(-n2nccc2NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC001360307738 1061935383 /nfs/dbraw/zinc/93/53/83/1061935383.db2.gz WPASFHIWYFAYAU-UHFFFAOYSA-N -1 1 355.357 2.838 20 30 FFEDMM C#C[C@@H](NS(=O)(=O)c1cc(OC)ccc1[O-])c1ccc(Cl)cc1 ZINC001463836070 1062284977 /nfs/dbraw/zinc/28/49/77/1062284977.db2.gz XARUWGMZSIFQAY-CQSZACIVSA-N -1 1 351.811 2.707 20 30 FFEDMM CC[C@@H](Cc1cn(C)c2ccccc12)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001464203868 1062482587 /nfs/dbraw/zinc/48/25/87/1062482587.db2.gz QLJUNFHMHRLTID-AWEZNQCLSA-N -1 1 357.435 2.943 20 30 FFEDMM C#CCn1ccc(CN(CC)C(=O)c2c([O-])cnc3c(F)cccc32)n1 ZINC001467716608 1063829402 /nfs/dbraw/zinc/82/94/02/1063829402.db2.gz PESITLAIFYJPEK-UHFFFAOYSA-N -1 1 352.369 2.572 20 30 FFEDMM COc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1C#N ZINC001467763227 1063844615 /nfs/dbraw/zinc/84/46/15/1063844615.db2.gz GINWMHKJAYDKHW-UHFFFAOYSA-N -1 1 361.195 2.965 20 30 FFEDMM C=C(CCC(=O)OC)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001468011150 1063906588 /nfs/dbraw/zinc/90/65/88/1063906588.db2.gz WLOGQDJUXFPDIX-UHFFFAOYSA-N -1 1 372.343 2.621 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1C#N ZINC001468748991 1064031426 /nfs/dbraw/zinc/03/14/26/1064031426.db2.gz GTVHXQIOPVRHBZ-UHFFFAOYSA-N -1 1 373.825 2.840 20 30 FFEDMM C=C(C)C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)OCC ZINC001472613801 1065111509 /nfs/dbraw/zinc/11/15/09/1065111509.db2.gz LJLGYDJTVCAHHL-LBPRGKRZSA-N -1 1 356.216 2.782 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1cc(-c2ccccc2Cl)on1 ZINC001581410321 1078959859 /nfs/dbraw/zinc/95/98/59/1078959859.db2.gz BJLCEBYZQBWLOB-UHFFFAOYSA-N -1 1 366.772 2.600 20 30 FFEDMM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001581874349 1079010316 /nfs/dbraw/zinc/01/03/16/1079010316.db2.gz NPTFZIVPUOYPOU-CQSZACIVSA-N -1 1 350.407 2.607 20 30 FFEDMM N#C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC001566181386 1076929999 /nfs/dbraw/zinc/92/99/99/1076929999.db2.gz XIGWBWIXFDQPMH-CQSZACIVSA-N -1 1 364.279 2.855 20 30 FFEDMM C#C[C@H](Nc1cc(-c2nnn[n-]2)nc(CC)n1)c1ccc(Cl)cc1F ZINC001588328632 1079985503 /nfs/dbraw/zinc/98/55/03/1079985503.db2.gz MJNXXCWWWOEYRU-LBPRGKRZSA-N -1 1 357.780 2.798 20 30 FFEDMM C#C[C@H](Nc1cc(-c2nn[n-]n2)nc(CC)n1)c1ccc(Cl)cc1F ZINC001588328632 1079985508 /nfs/dbraw/zinc/98/55/08/1079985508.db2.gz MJNXXCWWWOEYRU-LBPRGKRZSA-N -1 1 357.780 2.798 20 30 FFEDMM C#CCCCCCCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588345766 1079989879 /nfs/dbraw/zinc/98/98/79/1079989879.db2.gz KNWAWIVXUUYKIU-UHFFFAOYSA-N -1 1 371.441 2.644 20 30 FFEDMM C#CCCCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588345586 1079990436 /nfs/dbraw/zinc/99/04/36/1079990436.db2.gz FZESEXHDGJNTEF-UHFFFAOYSA-N -1 1 353.382 2.909 20 30 FFEDMM C#CCCCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588345586 1079990439 /nfs/dbraw/zinc/99/04/39/1079990439.db2.gz FZESEXHDGJNTEF-UHFFFAOYSA-N -1 1 353.382 2.909 20 30 FFEDMM C#CCN(C(=O)c1cc(-c2nnn[n-]2)oc1C)[C@H]1CCCc2ccccc21 ZINC001588348925 1079991953 /nfs/dbraw/zinc/99/19/53/1079991953.db2.gz UDOKNHISWXCYCQ-KRWDZBQOSA-N -1 1 361.405 2.921 20 30 FFEDMM C#CCN(C(=O)c1cc(-c2nn[n-]n2)oc1C)[C@H]1CCCc2ccccc21 ZINC001588348925 1079991956 /nfs/dbraw/zinc/99/19/56/1079991956.db2.gz UDOKNHISWXCYCQ-KRWDZBQOSA-N -1 1 361.405 2.921 20 30 FFEDMM C#CCN(Cc1ccccc1)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588351764 1079992734 /nfs/dbraw/zinc/99/27/34/1079992734.db2.gz IYCNIDKZUAYMCO-UHFFFAOYSA-N -1 1 373.829 2.644 20 30 FFEDMM C=CC(C)(C)CNS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001588488930 1080051519 /nfs/dbraw/zinc/05/15/19/1080051519.db2.gz QZUGIRWFOJQADR-UHFFFAOYSA-N -1 1 363.468 2.572 20 30 FFEDMM C=C[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)(C)C ZINC001588525358 1080078259 /nfs/dbraw/zinc/07/82/59/1080078259.db2.gz GOOWXUZKHAEHJQ-ZDUSSCGKSA-N -1 1 359.430 2.661 20 30 FFEDMM C=CCOc1c(Br)cc(CN[C@H](CF)C(=O)[O-])cc1OC ZINC001588868555 1080222921 /nfs/dbraw/zinc/22/29/21/1080222921.db2.gz KIGMMKXVFSELBS-LLVKDONJSA-N -1 1 362.195 2.535 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CC(=O)[O-])CC1 ZINC001589341431 1080489812 /nfs/dbraw/zinc/48/98/12/1080489812.db2.gz AKUMQFOIFCGUTL-AWEZNQCLSA-N -1 1 361.417 2.648 20 30 FFEDMM CC(C)[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccccc1Cl ZINC001589476973 1080553155 /nfs/dbraw/zinc/55/31/55/1080553155.db2.gz XFLGNVNGSDSEEV-AWEZNQCLSA-N -1 1 354.805 2.991 20 30 FFEDMM CC(C)[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccccc1Cl ZINC001589476973 1080553160 /nfs/dbraw/zinc/55/31/60/1080553160.db2.gz XFLGNVNGSDSEEV-AWEZNQCLSA-N -1 1 354.805 2.991 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]([C@H]3CCOC3)C2)o1 ZINC001589774057 1080730913 /nfs/dbraw/zinc/73/09/13/1080730913.db2.gz VUCYSLHEPMNREE-NEPJUHHUSA-N -1 1 359.434 2.973 20 30 FFEDMM CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC12CC(C(=O)[O-])C2 ZINC001589866759 1080815296 /nfs/dbraw/zinc/81/52/96/1080815296.db2.gz PWPVHCBYIFQXGW-BQIYRTECSA-N -1 1 370.449 2.813 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000286932229 257062692 /nfs/dbraw/zinc/06/26/92/257062692.db2.gz PSPZVUVTBJGCQV-ALOPSCKCSA-N -1 1 371.462 2.625 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000287887887 257126307 /nfs/dbraw/zinc/12/63/07/257126307.db2.gz REGWEAGTJOLVQE-UKRRQHHQSA-N -1 1 370.789 2.752 20 30 FFEDMM N#Cc1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1F ZINC000289647691 257291696 /nfs/dbraw/zinc/29/16/96/257291696.db2.gz GCRSYELHTQPUCK-UHFFFAOYSA-N -1 1 372.322 2.620 20 30 FFEDMM N#Cc1ccsc1N1CC[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1=O ZINC000289685634 257293829 /nfs/dbraw/zinc/29/38/29/257293829.db2.gz ZPPIJGOHOLQSCE-VIFPVBQESA-N -1 1 368.390 2.951 20 30 FFEDMM CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1OC ZINC000003554716 506343183 /nfs/dbraw/zinc/34/31/83/506343183.db2.gz QYNINYATPKULPQ-JFDDCEBESA-N -1 1 364.781 2.976 20 30 FFEDMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055581018 506786769 /nfs/dbraw/zinc/78/67/69/506786769.db2.gz BXGRQXYWDDXTKK-UHFFFAOYSA-N -1 1 364.810 2.728 20 30 FFEDMM CCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000068241550 507158428 /nfs/dbraw/zinc/15/84/28/507158428.db2.gz FRBWQCYLIACODU-UHFFFAOYSA-N -1 1 357.435 2.782 20 30 FFEDMM CCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000068241661 507159476 /nfs/dbraw/zinc/15/94/76/507159476.db2.gz KTMUZGQTHXCHCD-UHFFFAOYSA-N -1 1 361.398 2.612 20 30 FFEDMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccc(/C=N/OC)cc2)CC1 ZINC000068452948 507237321 /nfs/dbraw/zinc/23/73/21/507237321.db2.gz SUPJBMPXSSVRIJ-XDHOZWIPSA-N -1 1 373.482 2.961 20 30 FFEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000026547633 507597482 /nfs/dbraw/zinc/59/74/82/507597482.db2.gz SLJXNOAYILKJDD-UHFFFAOYSA-N -1 1 371.418 2.619 20 30 FFEDMM N#Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000072496138 507799237 /nfs/dbraw/zinc/79/92/37/507799237.db2.gz SAFWRGPSWDLOGX-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000080027948 508028033 /nfs/dbraw/zinc/02/80/33/508028033.db2.gz XOLHJFCYCXBMII-LBPRGKRZSA-N -1 1 359.455 2.624 20 30 FFEDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C#N)C(C)C)cc1 ZINC000081690168 508204067 /nfs/dbraw/zinc/20/40/67/508204067.db2.gz LFQWNMSZMQIKMG-CQSZACIVSA-N -1 1 359.455 2.671 20 30 FFEDMM C#Cc1cccc(N(CC)C(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000103028065 508293263 /nfs/dbraw/zinc/29/32/63/508293263.db2.gz NLKKUKXYALFNHF-UHFFFAOYSA-N -1 1 355.463 2.767 20 30 FFEDMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000077707556 508355395 /nfs/dbraw/zinc/35/53/95/508355395.db2.gz DFUDHRFGDQWNSY-UHFFFAOYSA-N -1 1 363.826 2.681 20 30 FFEDMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000115313435 508384186 /nfs/dbraw/zinc/38/41/86/508384186.db2.gz DQTJOSNNKHZUAD-JOCHJYFZSA-N -1 1 368.867 2.891 20 30 FFEDMM COc1cc(C)cc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000157090351 508521219 /nfs/dbraw/zinc/52/12/19/508521219.db2.gz KHEKIOLJYCBQAG-UHFFFAOYSA-N -1 1 352.362 2.632 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(-c2cccc(F)c2)no1 ZINC000123614992 508715247 /nfs/dbraw/zinc/71/52/47/508715247.db2.gz MVNDSBCFNBFUQH-NSHDSACASA-N -1 1 372.381 2.787 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cn1 ZINC000150790263 508893385 /nfs/dbraw/zinc/89/33/85/508893385.db2.gz BMBVMGWKSXXBPY-UHFFFAOYSA-N -1 1 353.407 2.898 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000159863734 508902429 /nfs/dbraw/zinc/90/24/29/508902429.db2.gz UMFWGOCCAADTBZ-LBPRGKRZSA-N -1 1 363.421 2.733 20 30 FFEDMM C=C(C)Cn1c(SCC(=O)Nc2ccncc2[O-])nnc1-c1ccco1 ZINC000125122255 508934129 /nfs/dbraw/zinc/93/41/29/508934129.db2.gz CSOZPJYXKPPBKK-UHFFFAOYSA-N -1 1 371.422 2.946 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cccc1C(=O)N1CCCC1 ZINC000125600769 509005013 /nfs/dbraw/zinc/00/50/13/509005013.db2.gz RUIOOBYQJRXDLT-UHFFFAOYSA-N -1 1 369.446 2.904 20 30 FFEDMM N#C[C@@H](C(=O)NC1CCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155664927 509048296 /nfs/dbraw/zinc/04/82/96/509048296.db2.gz SUUKBELVQMIOSH-CYBMUJFWSA-N -1 1 370.478 2.919 20 30 FFEDMM CN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000120863685 509077999 /nfs/dbraw/zinc/07/79/99/509077999.db2.gz RYYQNKZHQKJSMP-UHFFFAOYSA-N -1 1 363.826 2.736 20 30 FFEDMM CC#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000126529704 509090916 /nfs/dbraw/zinc/09/09/16/509090916.db2.gz KNTURLZEVMDHLL-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM CC#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000126663717 509109552 /nfs/dbraw/zinc/10/95/52/509109552.db2.gz RZRVBAPFYVNHOI-UHFFFAOYSA-N -1 1 362.838 2.894 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)cc1F ZINC000156155665 509135911 /nfs/dbraw/zinc/13/59/11/509135911.db2.gz CGABNWWUHYEPSD-VIFPVBQESA-N -1 1 367.333 2.784 20 30 FFEDMM C[C@H](CC#N)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000121403316 509172125 /nfs/dbraw/zinc/17/21/25/509172125.db2.gz YGSHOMPJWSLZDT-CYBMUJFWSA-N -1 1 358.423 2.911 20 30 FFEDMM CCCC(C#N)(CCC)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000121711103 509180843 /nfs/dbraw/zinc/18/08/43/509180843.db2.gz MZKMAMDAMVCUAR-UHFFFAOYSA-N -1 1 369.487 2.949 20 30 FFEDMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000180176806 509794748 /nfs/dbraw/zinc/79/47/48/509794748.db2.gz KZWKUXZFTOVBBE-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccccc3CC#N)ccc2NC1=O ZINC000193360175 509879984 /nfs/dbraw/zinc/87/99/84/509879984.db2.gz AGJKDVHQHHSHAR-UHFFFAOYSA-N -1 1 355.419 2.783 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000174040392 509920119 /nfs/dbraw/zinc/92/01/19/509920119.db2.gz SIOVTDURCCKWHR-SECBINFHSA-N -1 1 368.846 2.932 20 30 FFEDMM C=C(C)C[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000184227477 510205319 /nfs/dbraw/zinc/20/53/19/510205319.db2.gz AYFNHDJFERLEEK-ZDUSSCGKSA-N -1 1 354.472 2.964 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)C#N)ccc2C)c1 ZINC000171848098 510406878 /nfs/dbraw/zinc/40/68/78/510406878.db2.gz DGVZGZWEMAWFSW-AWEZNQCLSA-N -1 1 371.462 2.994 20 30 FFEDMM N#Cc1ccc(C(=O)NCCOc2cccc(Br)c2)cc1[O-] ZINC000190941889 510426121 /nfs/dbraw/zinc/42/61/21/510426121.db2.gz JDIHNAMINBVODI-UHFFFAOYSA-N -1 1 361.195 2.835 20 30 FFEDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc21 ZINC000172183417 510587795 /nfs/dbraw/zinc/58/77/95/510587795.db2.gz UGCJSXYJGFHMPI-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188322473 510709127 /nfs/dbraw/zinc/70/91/27/510709127.db2.gz QKBKEAHVKRFVQP-KRWDZBQOSA-N -1 1 352.390 2.510 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncccc1Br ZINC000178797692 510777628 /nfs/dbraw/zinc/77/76/28/510777628.db2.gz XYPIDXLDOCQGDS-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cn2)n1 ZINC000172590160 510809514 /nfs/dbraw/zinc/80/95/14/510809514.db2.gz POIMPJUSQYCDLB-UHFFFAOYSA-N -1 1 367.434 2.865 20 30 FFEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1cccc(C)c1C ZINC000185370234 510825526 /nfs/dbraw/zinc/82/55/26/510825526.db2.gz YJEYRGPGHNSBLM-GOSISDBHSA-N -1 1 372.446 2.758 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)cc1[O-] ZINC000188607387 510842448 /nfs/dbraw/zinc/84/24/48/510842448.db2.gz LIFMPNSDWXASQY-SFHVURJKSA-N -1 1 363.417 2.689 20 30 FFEDMM C=CCn1c([C@@H](C)CC)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000282213222 510887897 /nfs/dbraw/zinc/88/78/97/510887897.db2.gz IAJYISSKVUHHHL-LBPRGKRZSA-N -1 1 373.423 2.873 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)C2CCCCC2)o1 ZINC000330580775 511000534 /nfs/dbraw/zinc/00/05/34/511000534.db2.gz PZVBYQFTIQXFOW-CYBMUJFWSA-N -1 1 367.471 2.559 20 30 FFEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000295180224 511311319 /nfs/dbraw/zinc/31/13/19/511311319.db2.gz AIFFBKMQUGFZSH-IUCAKERBSA-N -1 1 361.782 2.748 20 30 FFEDMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC3(C#N)CC3)n2)cc1 ZINC000274211302 511755335 /nfs/dbraw/zinc/75/53/35/511755335.db2.gz LCCXBRKSTOITQL-LBPRGKRZSA-N -1 1 360.439 2.583 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)CCCCC2)no1 ZINC000292923141 511773442 /nfs/dbraw/zinc/77/34/42/511773442.db2.gz IAJACBBGLAMKDY-UHFFFAOYSA-N -1 1 364.402 2.527 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000315452633 511799861 /nfs/dbraw/zinc/79/98/61/511799861.db2.gz YHMPKBMFIVMKCT-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000284934766 511934760 /nfs/dbraw/zinc/93/47/60/511934760.db2.gz ACDAOXZUSJVHNH-LLVKDONJSA-N -1 1 367.265 2.512 20 30 FFEDMM Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000282028515 512050891 /nfs/dbraw/zinc/05/08/91/512050891.db2.gz RFLOSFWMGVISRP-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM O=C(CN1CCC(c2n[nH]c(=O)[n-]2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000329610751 512075981 /nfs/dbraw/zinc/07/59/81/512075981.db2.gz CCAXDTGFTOPOOQ-MRXNPFEDSA-N -1 1 355.442 2.724 20 30 FFEDMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCC#N ZINC000376515402 512851822 /nfs/dbraw/zinc/85/18/22/512851822.db2.gz QKRDDBCHOKHIGB-ZFWWWQNUSA-N -1 1 355.360 2.793 20 30 FFEDMM N#Cc1ccc(C(=O)N(CCc2ccccn2)Cc2cccnc2)cc1[O-] ZINC000436030163 513740558 /nfs/dbraw/zinc/74/05/58/513740558.db2.gz ZVRGNVZTZCQZAU-UHFFFAOYSA-N -1 1 358.401 2.939 20 30 FFEDMM C=CCN(C(=O)c1cc(F)ccc1[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436556894 513897849 /nfs/dbraw/zinc/89/78/49/513897849.db2.gz RSSURGCLWJWBEA-ZDUSSCGKSA-N -1 1 367.384 2.896 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(OCC)c2)cc1 ZINC000443408959 513963143 /nfs/dbraw/zinc/96/31/43/513963143.db2.gz VKQBIGDBDUTHAE-UHFFFAOYSA-N -1 1 360.435 2.802 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1F ZINC000427104340 514117716 /nfs/dbraw/zinc/11/77/16/514117716.db2.gz NJDRGIRQCPBIJR-UHFFFAOYSA-N -1 1 360.345 2.823 20 30 FFEDMM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)cn1 ZINC000427237385 514157564 /nfs/dbraw/zinc/15/75/64/514157564.db2.gz DDMJLUAWZSMYOM-UHFFFAOYSA-N -1 1 371.397 2.975 20 30 FFEDMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000427331538 514185578 /nfs/dbraw/zinc/18/55/78/514185578.db2.gz PUJJYSSJCWAPGR-UHFFFAOYSA-N -1 1 374.418 2.682 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(OC(C)C)c1 ZINC000432498157 514211372 /nfs/dbraw/zinc/21/13/72/514211372.db2.gz VOKYCXKAPTVHLG-UHFFFAOYSA-N -1 1 373.434 2.554 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000475812138 514821129 /nfs/dbraw/zinc/82/11/29/514821129.db2.gz ZORMFLXGBOSYEK-UHFFFAOYSA-N -1 1 355.419 2.902 20 30 FFEDMM COc1cc(S(=O)(=O)Nc2cccc(C#N)c2)c(Cl)cc1C(=O)[O-] ZINC000485285289 514982703 /nfs/dbraw/zinc/98/27/03/514982703.db2.gz BAQZXNKJDBHEKX-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476311340 514995670 /nfs/dbraw/zinc/99/56/70/514995670.db2.gz QBVYWGIYXNPTGQ-GFCCVEGCSA-N -1 1 356.856 2.594 20 30 FFEDMM CC(C)(NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nn[n-]n1 ZINC000480853330 515108616 /nfs/dbraw/zinc/10/86/16/515108616.db2.gz BDENUKOZDFULST-UHFFFAOYSA-N -1 1 364.434 2.888 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CC#N)cc2)ccc1F ZINC000504648080 515347488 /nfs/dbraw/zinc/34/74/88/515347488.db2.gz VCZRNHNCVNOLPV-UHFFFAOYSA-N -1 1 361.398 2.531 20 30 FFEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505143236 515456393 /nfs/dbraw/zinc/45/63/93/515456393.db2.gz PVXVORHVCAGFBX-AWEZNQCLSA-N -1 1 357.435 2.862 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cn1 ZINC000486576192 515546986 /nfs/dbraw/zinc/54/69/86/515546986.db2.gz PIYPRDIHPODQLO-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM Cc1c[nH]nc1NC(=O)N=c1[n-]nc(SCc2ccc(C#N)cc2)s1 ZINC000558299732 516683211 /nfs/dbraw/zinc/68/32/11/516683211.db2.gz RYGZGILPGQGDRM-UHFFFAOYSA-N -1 1 371.451 2.800 20 30 FFEDMM COc1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)c(C(=O)[O-])c1 ZINC000548244401 516848708 /nfs/dbraw/zinc/84/87/08/516848708.db2.gz NXAIMLAPHHSHEH-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM C=CCOCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000520514581 517418758 /nfs/dbraw/zinc/41/87/58/517418758.db2.gz PIMOASNVZCXAPF-UHFFFAOYSA-N -1 1 360.435 2.937 20 30 FFEDMM N#Cc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 ZINC000542731762 517707235 /nfs/dbraw/zinc/70/72/35/517707235.db2.gz MTQSHXYETAGXDO-UHFFFAOYSA-N -1 1 367.430 2.584 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC#Cc1ccccc1 ZINC000521701068 517832197 /nfs/dbraw/zinc/83/21/97/517832197.db2.gz TTZPIBRMPGOKCP-UHFFFAOYSA-N -1 1 372.428 2.653 20 30 FFEDMM O=S(=O)([N-]CCOC(F)(F)F)c1c(F)cccc1OC(F)(F)F ZINC000553866251 517941475 /nfs/dbraw/zinc/94/14/75/517941475.db2.gz BMCVHMIGWULUEI-UHFFFAOYSA-N -1 1 371.230 2.539 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)C#N)ccc2C)cc1 ZINC000522017755 517952572 /nfs/dbraw/zinc/95/25/72/517952572.db2.gz CVZNKTXLHVVAAA-AWEZNQCLSA-N -1 1 371.462 2.994 20 30 FFEDMM Cc1cc(F)ccc1N(Cc1nc(=O)n(C)[n-]1)Cc1cccc(C#N)c1 ZINC000543436772 518090565 /nfs/dbraw/zinc/09/05/65/518090565.db2.gz LUTLMZBYZUOQBB-UHFFFAOYSA-N -1 1 351.385 2.634 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CCC#N)C(C)C ZINC000522586568 518130979 /nfs/dbraw/zinc/13/09/79/518130979.db2.gz PHHKQWWLQBXVGJ-UHFFFAOYSA-N -1 1 353.426 2.636 20 30 FFEDMM COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589180822 518942851 /nfs/dbraw/zinc/94/28/51/518942851.db2.gz JSGMEEMEWLRREA-UHFFFAOYSA-N -1 1 368.433 2.994 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000589428618 518999587 /nfs/dbraw/zinc/99/95/87/518999587.db2.gz GPZUDKRIJIFRPJ-UHFFFAOYSA-N -1 1 361.423 2.804 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(c3nccc4sccc43)CC2)cc1[O-] ZINC000589528595 519025477 /nfs/dbraw/zinc/02/54/77/519025477.db2.gz ZKKCMGJZNSZGBG-UHFFFAOYSA-N -1 1 364.430 2.836 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000589726779 519072927 /nfs/dbraw/zinc/07/29/27/519072927.db2.gz SUMKBUHVNAPYGT-OAQYLSRUSA-N -1 1 350.418 2.721 20 30 FFEDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000569495985 519580689 /nfs/dbraw/zinc/58/06/89/519580689.db2.gz MRBXMNPYXDJCEM-UHFFFAOYSA-N -1 1 357.435 2.645 20 30 FFEDMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1 ZINC000591491400 519931222 /nfs/dbraw/zinc/93/12/22/519931222.db2.gz YFLHOMGLYQZCBS-CQSZACIVSA-N -1 1 365.842 2.606 20 30 FFEDMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1)C1CC1 ZINC000600654515 520377124 /nfs/dbraw/zinc/37/71/24/520377124.db2.gz YFFYGSKYMUTWIQ-CQSZACIVSA-N -1 1 373.272 2.878 20 30 FFEDMM C=C1CC(C)(C(=O)NCc2cccc(-c3nc(C(=O)OCC)n[n-]3)c2)C1 ZINC000601536252 520829963 /nfs/dbraw/zinc/82/99/63/520829963.db2.gz XBKSUEQCPJKJIL-UHFFFAOYSA-N -1 1 354.410 2.621 20 30 FFEDMM CN1c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)cc2CC1=O ZINC000593210149 520831548 /nfs/dbraw/zinc/83/15/48/520831548.db2.gz GKOGXRBRHNYVTO-UHFFFAOYSA-N -1 1 369.446 2.807 20 30 FFEDMM COc1cccc(N2CCC[C@H](NC(=O)c3cc([O-])cc(C#N)c3)C2)c1 ZINC000614299370 520897384 /nfs/dbraw/zinc/89/73/84/520897384.db2.gz HJXROGNODBCUQN-INIZCTEOSA-N -1 1 351.406 2.671 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000614299899 520897464 /nfs/dbraw/zinc/89/74/64/520897464.db2.gz FXDBBSDJDUNVKJ-UHFFFAOYSA-N -1 1 350.353 2.561 20 30 FFEDMM N#Cc1ccc(N2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c(Cl)c1 ZINC000618257845 520967753 /nfs/dbraw/zinc/96/77/53/520967753.db2.gz IWDTZRUPEDXCQG-UHFFFAOYSA-N -1 1 366.808 2.751 20 30 FFEDMM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593537902 521060403 /nfs/dbraw/zinc/06/04/03/521060403.db2.gz OWVVKBUQPCELLX-UHFFFAOYSA-N -1 1 351.453 2.672 20 30 FFEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1c(C)nn(C)c1C ZINC000736304242 599150209 /nfs/dbraw/zinc/15/02/09/599150209.db2.gz MHYHEDSQVLZWSD-UHFFFAOYSA-N -1 1 357.422 2.555 20 30 FFEDMM Cc1ccc(C)c(N=C2NC(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)S2)c1 ZINC000822232276 599377678 /nfs/dbraw/zinc/37/76/78/599377678.db2.gz ZKBZPBHXTHYPCK-RIYZIHGNSA-N -1 1 366.406 2.968 20 30 FFEDMM Cc1ccc(C)c(N=C2NC(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)S2)c1 ZINC000822232276 599377681 /nfs/dbraw/zinc/37/76/81/599377681.db2.gz ZKBZPBHXTHYPCK-RIYZIHGNSA-N -1 1 366.406 2.968 20 30 FFEDMM CC#CCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819766337 599660540 /nfs/dbraw/zinc/66/05/40/599660540.db2.gz WZUOXEMHQYTGMV-UHFFFAOYSA-N -1 1 352.325 2.978 20 30 FFEDMM CC#CCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819766337 599660541 /nfs/dbraw/zinc/66/05/41/599660541.db2.gz WZUOXEMHQYTGMV-UHFFFAOYSA-N -1 1 352.325 2.978 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736200001 600300981 /nfs/dbraw/zinc/30/09/81/600300981.db2.gz LZOZWIAQIWXFQL-NVXWUHKLSA-N -1 1 355.438 2.508 20 30 FFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000739106205 600564270 /nfs/dbraw/zinc/56/42/70/600564270.db2.gz QWAKXNQIRDPAAO-LJQANCHMSA-N -1 1 363.417 2.532 20 30 FFEDMM CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736278333 600570802 /nfs/dbraw/zinc/57/08/02/600570802.db2.gz HBFGLACJFPFFLX-INIZCTEOSA-N -1 1 359.426 2.627 20 30 FFEDMM C[C@](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)(C(=O)[O-])C1CC1 ZINC000827729286 601037018 /nfs/dbraw/zinc/03/70/18/601037018.db2.gz ZLXFCBFYIABRCA-GOSISDBHSA-N -1 1 361.467 2.670 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000825967384 601937919 /nfs/dbraw/zinc/93/79/19/601937919.db2.gz VASVPKZOVSTRPH-UGSOOPFHSA-N -1 1 361.467 2.673 20 30 FFEDMM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccn1 ZINC000740304036 602670627 /nfs/dbraw/zinc/67/06/27/602670627.db2.gz PRQWWXQOMPNQAU-GJZGRUSLSA-N -1 1 366.377 2.518 20 30 FFEDMM C=CCC[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000833372975 605055966 /nfs/dbraw/zinc/05/59/66/605055966.db2.gz CAZPEYFKHOQQRS-AEFFLSMTSA-N -1 1 359.470 2.884 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Cl)c3cccnc23)o1 ZINC000822422666 607146937 /nfs/dbraw/zinc/14/69/37/607146937.db2.gz BMMBTBJPNGYCPX-UHFFFAOYSA-N -1 1 354.761 2.811 20 30 FFEDMM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000826010675 607843018 /nfs/dbraw/zinc/84/30/18/607843018.db2.gz NXLGZCIMFNVRAB-DAXSKMNVSA-N -1 1 365.418 2.733 20 30 FFEDMM N#Cc1ccc(Cl)cc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826385522 607866411 /nfs/dbraw/zinc/86/64/11/607866411.db2.gz PUPRTFBGKRCDCE-UHFFFAOYSA-N -1 1 372.747 2.548 20 30 FFEDMM N#Cc1ccc(Cl)cc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826385522 607866412 /nfs/dbraw/zinc/86/64/12/607866412.db2.gz PUPRTFBGKRCDCE-UHFFFAOYSA-N -1 1 372.747 2.548 20 30 FFEDMM CC(=O)Nc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000823999486 609372633 /nfs/dbraw/zinc/37/26/33/609372633.db2.gz CNAWLHFMBCDTJA-UHFFFAOYSA-N -1 1 368.401 2.773 20 30 FFEDMM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1c([O-])c(O)ccc1F ZINC000899096558 735446469 /nfs/dbraw/zinc/44/64/69/735446469.db2.gz CBVPVMGCDULWNA-UHFFFAOYSA-N -1 1 353.165 2.800 20 30 FFEDMM C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000084585153 728423099 /nfs/dbraw/zinc/42/30/99/728423099.db2.gz QWSHSGZOCLCRLI-ZETCQYMHSA-N -1 1 362.333 2.619 20 30 FFEDMM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccncc1 ZINC000130646616 728720321 /nfs/dbraw/zinc/72/03/21/728720321.db2.gz UTMKJFXQOMKHAU-UHFFFAOYSA-N -1 1 371.388 2.687 20 30 FFEDMM CCC[C@@H](C#N)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903094564 736029696 /nfs/dbraw/zinc/02/96/96/736029696.db2.gz FEHRSIALKYICFZ-QMMMGPOBSA-N -1 1 365.224 2.567 20 30 FFEDMM Cn1c(Cc2csc(NC(=O)Cc3ccc(C#N)cc3)n2)n[n-]c1=S ZINC000195181224 729531874 /nfs/dbraw/zinc/53/18/74/729531874.db2.gz IZVICIKEYBXZMC-UHFFFAOYSA-N -1 1 370.463 2.578 20 30 FFEDMM CC(C)N(CCC#N)C(=O)c1cc(I)ccc1[O-] ZINC000232647502 729552384 /nfs/dbraw/zinc/55/23/84/729552384.db2.gz CNTUXWILXMBFHM-UHFFFAOYSA-N -1 1 358.179 2.761 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1Br ZINC000432956111 729869858 /nfs/dbraw/zinc/86/98/58/729869858.db2.gz XNFTZDHDWNEMAZ-UHFFFAOYSA-N -1 1 367.228 2.722 20 30 FFEDMM CC(=NN(C)[C@@H](C)CO)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863122504 730751261 /nfs/dbraw/zinc/75/12/61/730751261.db2.gz HXQWXXRCFUZXIC-AWEZNQCLSA-N -1 1 361.467 2.524 20 30 FFEDMM C=C(C)Cn1c(C(C)C)nnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871095794 731594567 /nfs/dbraw/zinc/59/45/67/731594567.db2.gz DKSMOZXVSVLTEJ-HNNXBMFYSA-N -1 1 359.396 2.625 20 30 FFEDMM COCc1cc(C#N)ccc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000882383405 733218785 /nfs/dbraw/zinc/21/87/85/733218785.db2.gz RDRXAEGTDIBWEP-CYBMUJFWSA-N -1 1 355.360 2.600 20 30 FFEDMM CCc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000731153580 734668727 /nfs/dbraw/zinc/66/87/27/734668727.db2.gz SMCJZZBPLLYONY-UHFFFAOYSA-N -1 1 353.425 2.672 20 30 FFEDMM Cc1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc2cccnc12 ZINC000783824298 738839975 /nfs/dbraw/zinc/83/99/75/738839975.db2.gz PMEUQMZFJGVWLG-UHFFFAOYSA-N -1 1 350.403 2.616 20 30 FFEDMM C#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000733287930 734804242 /nfs/dbraw/zinc/80/42/42/734804242.db2.gz UORDUWDEXRRAEZ-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)c1 ZINC000928356960 738860096 /nfs/dbraw/zinc/86/00/96/738860096.db2.gz IGUBZOJHMUEEJP-AWEZNQCLSA-N -1 1 373.210 2.794 20 30 FFEDMM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)C(=O)N1CC(F)(F)C(F)F ZINC000736437377 734985680 /nfs/dbraw/zinc/98/56/80/734985680.db2.gz HQNPXNUSBDQLSZ-GFCCVEGCSA-N -1 1 358.213 2.896 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc([S@@](=O)C(F)(F)F)cc2)c1 ZINC000748675883 735663835 /nfs/dbraw/zinc/66/38/35/735663835.db2.gz WVZRIYZKYLOTAX-HSZRJFAPSA-N -1 1 374.365 2.986 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3cccc(F)c3C#N)CCCCC2)no1 ZINC000750992455 735834573 /nfs/dbraw/zinc/83/45/73/735834573.db2.gz VXMDOJVPRHPNEM-UHFFFAOYSA-N -1 1 364.402 2.527 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccnn2CC2CCC2)c(F)cc1F ZINC000903647218 736135310 /nfs/dbraw/zinc/13/53/10/736135310.db2.gz DCDLEMBAMOSMED-UHFFFAOYSA-N -1 1 352.366 2.634 20 30 FFEDMM [O-]c1c(Br)cc(O)cc1C=NNC(=S)NC1CCCCC1 ZINC000755505014 736258230 /nfs/dbraw/zinc/25/82/30/736258230.db2.gz JPSUPZOUVXJPRJ-UHFFFAOYSA-N -1 1 372.288 2.991 20 30 FFEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cnc2ncccn12 ZINC000755589910 736263419 /nfs/dbraw/zinc/26/34/19/736263419.db2.gz GOQXTXMCGICMHP-UHFFFAOYSA-N -1 1 367.463 2.784 20 30 FFEDMM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1cc(F)cc(F)c1[O-] ZINC000757451410 736405855 /nfs/dbraw/zinc/40/58/55/736405855.db2.gz PYYINXSTFYJTRM-UHFFFAOYSA-N -1 1 354.378 2.990 20 30 FFEDMM CC(C)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc(C2CC2)no1 ZINC000759021420 736541709 /nfs/dbraw/zinc/54/17/09/736541709.db2.gz RFGFPWJQEPQLJK-CYBMUJFWSA-N -1 1 352.460 2.647 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cnc(C2CCC2)s1 ZINC000760259341 736625444 /nfs/dbraw/zinc/62/54/44/736625444.db2.gz GGJYGBBSSMVNMV-UHFFFAOYSA-N -1 1 366.424 2.631 20 30 FFEDMM C=CCN(CC(=O)[O-])C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000908767852 736829771 /nfs/dbraw/zinc/82/97/71/736829771.db2.gz GEBILWPAFPRIAC-UHFFFAOYSA-N -1 1 365.861 2.587 20 30 FFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1F ZINC000766569232 737243287 /nfs/dbraw/zinc/24/32/87/737243287.db2.gz DBKUXDQCBFWSKJ-UHFFFAOYSA-N -1 1 363.370 2.985 20 30 FFEDMM CSc1nc(C)c(CCC(=O)NCCC#C[Si](C)(C)C)c(=O)[n-]1 ZINC000912334861 737292826 /nfs/dbraw/zinc/29/28/26/737292826.db2.gz LAGUFPWHAPLSDO-UHFFFAOYSA-N -1 1 351.548 2.532 20 30 FFEDMM O=C1Nc2ccc(Br)cc2C1=N[N-]c1cncc(Cl)n1 ZINC000914560285 737583869 /nfs/dbraw/zinc/58/38/69/737583869.db2.gz WJFRKMAMAZCGCC-UHFFFAOYSA-N -1 1 352.579 2.661 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(OC(F)F)cc1 ZINC000914600114 737585843 /nfs/dbraw/zinc/58/58/43/737585843.db2.gz ODTAOJQTHNIDRA-UHFFFAOYSA-N -1 1 365.361 2.751 20 30 FFEDMM [O-]c1c(Br)cccc1C=NNC(=S)Nc1cccnc1 ZINC000915944791 737666379 /nfs/dbraw/zinc/66/63/79/737666379.db2.gz UATUZCOTHAIBRV-UHFFFAOYSA-N -1 1 351.229 2.870 20 30 FFEDMM N#C[C@@H](NC(=O)c1ccc(I)c([O-])c1)C1CCCC1 ZINC000921545415 738000169 /nfs/dbraw/zinc/00/01/69/738000169.db2.gz GCFVLEUHUKLLOZ-GFCCVEGCSA-N -1 1 370.190 2.809 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C#N)cc1Cl ZINC000788424974 739243761 /nfs/dbraw/zinc/24/37/61/739243761.db2.gz NMQHHALUQHBMTM-UHFFFAOYSA-N -1 1 358.810 2.674 20 30 FFEDMM C#CCn1ccc(CN(CC)C(=O)c2ccc(Br)c([O-])c2)n1 ZINC000790118721 739419777 /nfs/dbraw/zinc/41/97/77/739419777.db2.gz AEFRNHPQJGABEM-UHFFFAOYSA-N -1 1 362.227 2.647 20 30 FFEDMM COc1cncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000791773782 739600961 /nfs/dbraw/zinc/60/09/61/739600961.db2.gz OXIIZGCHGXBVOU-LLVKDONJSA-N -1 1 365.176 2.753 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809843987 741353163 /nfs/dbraw/zinc/35/31/63/741353163.db2.gz SMEJLYSLKYYCOS-JTQLQIEISA-N -1 1 351.211 2.838 20 30 FFEDMM CC(=Nn1cnnc1)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814683430 741857507 /nfs/dbraw/zinc/85/75/07/741857507.db2.gz ZPQAWZBZOSQDOH-UHFFFAOYSA-N -1 1 355.423 2.660 20 30 FFEDMM O=C([O-])c1ccc(NN=C2COc3cc(Br)c(F)cc32)nc1 ZINC000814889907 741872723 /nfs/dbraw/zinc/87/27/23/741872723.db2.gz CWTUTQBIZKQMNX-UHFFFAOYSA-N -1 1 366.146 2.890 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000816569390 742043091 /nfs/dbraw/zinc/04/30/91/742043091.db2.gz JXAYUDWAQCREEV-OLZOCXBDSA-N -1 1 351.834 2.894 20 30 FFEDMM C#CCCCS(=O)(=O)[N-]c1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000840946566 747238391 /nfs/dbraw/zinc/23/83/91/747238391.db2.gz RQMSKVLOBDECMM-UHFFFAOYSA-N -1 1 358.419 2.675 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC)CC#N)c(F)cc1Cl ZINC000841513517 747378245 /nfs/dbraw/zinc/37/82/45/747378245.db2.gz PGLOOEZAXTYEFI-VIFPVBQESA-N -1 1 362.810 2.626 20 30 FFEDMM O=C(NO)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000843045761 747755239 /nfs/dbraw/zinc/75/52/39/747755239.db2.gz RMGUAXNGBTZMED-UHFFFAOYSA-N -1 1 361.206 2.913 20 30 FFEDMM N#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000490669766 845919838 /nfs/dbraw/zinc/91/98/38/845919838.db2.gz FMNPOGFJMFPVFA-UHFFFAOYSA-N -1 1 363.826 2.784 20 30 FFEDMM CCc1ccc(-c2nc(Cn3cnc(-c4nn[n-]n4)c3C#N)cs2)cc1 ZINC000825700710 947292052 /nfs/dbraw/zinc/29/20/52/947292052.db2.gz QCEJNBCFTLLEAU-UHFFFAOYSA-N -1 1 362.422 2.669 20 30 FFEDMM CC(C)(C#N)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573761128 948838606 /nfs/dbraw/zinc/83/86/06/948838606.db2.gz CUEKYQRWZRZEKD-UHFFFAOYSA-N -1 1 352.423 2.659 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC001594366709 958496109 /nfs/dbraw/zinc/49/61/09/958496109.db2.gz IKRLVFIZCVQYJQ-AEFFLSMTSA-N -1 1 357.454 2.593 20 30 FFEDMM N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)cc2)cc1 ZINC001175552238 1013509868 /nfs/dbraw/zinc/50/98/68/1013509868.db2.gz CYFFYLGCIFYFCZ-INIZCTEOSA-N -1 1 374.404 2.688 20 30 FFEDMM C=CC[C@@H]1N(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCCC1(C)C ZINC000876299613 1014219823 /nfs/dbraw/zinc/21/98/23/1014219823.db2.gz CDFSHAALHXXXMG-HNNXBMFYSA-N -1 1 360.458 2.531 20 30 FFEDMM C=CCOc1ccc(Br)cc1NC(=O)c1cnncc1O ZINC001299169131 977178366 /nfs/dbraw/zinc/17/83/66/977178366.db2.gz FURVRZVNGIZXHZ-UHFFFAOYSA-N -1 1 350.172 2.762 20 30 FFEDMM C=CCOc1ccc(Br)cc1NC(=O)c1cnncc1[O-] ZINC001299169131 977178371 /nfs/dbraw/zinc/17/83/71/977178371.db2.gz FURVRZVNGIZXHZ-UHFFFAOYSA-N -1 1 350.172 2.762 20 30 FFEDMM C=CCc1c(Cl)ncnc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167932777 978146721 /nfs/dbraw/zinc/14/67/21/978146721.db2.gz XJCUTCMNCOYGBY-UHFFFAOYSA-N -1 1 365.757 2.943 20 30 FFEDMM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc([O-])cc1Cl)CC2 ZINC001271915898 979272237 /nfs/dbraw/zinc/27/22/37/979272237.db2.gz XLCFMEFTUVKSHI-HNNXBMFYSA-N -1 1 362.857 2.980 20 30 FFEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2coc(C(N)=O)c2)cc1 ZINC000760183513 980188433 /nfs/dbraw/zinc/18/84/33/980188433.db2.gz MKNUTYRNYFHCKM-OAHLLOKOSA-N -1 1 353.378 2.682 20 30 FFEDMM C=CCn1c(CCC(C)C)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908644459 981488646 /nfs/dbraw/zinc/48/86/46/981488646.db2.gz YXWAKDMUVZALMJ-AWEZNQCLSA-N -1 1 372.473 2.898 20 30 FFEDMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000762564175 988468995 /nfs/dbraw/zinc/46/89/95/988468995.db2.gz HJTNBEHVHPWTHF-WFASDCNBSA-N -1 1 359.426 2.639 20 30 FFEDMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000762612443 988516552 /nfs/dbraw/zinc/51/65/52/988516552.db2.gz LKHVHQLSKBCZCH-BLLLJJGKSA-N -1 1 359.426 2.639 20 30 FFEDMM C[C@@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H](C)C#N)cc2)cc1 ZINC000916076151 989736564 /nfs/dbraw/zinc/73/65/64/989736564.db2.gz XSJJFYZABBYKTB-CHWSQXEVSA-N -1 1 374.418 2.610 20 30 FFEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n(C)n1 ZINC000917516007 990235965 /nfs/dbraw/zinc/23/59/65/990235965.db2.gz GYTSEBUTKNZBQZ-LLVKDONJSA-N -1 1 367.434 2.808 20 30 FFEDMM Cc1c(F)cccc1-c1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)o1 ZINC000734298724 999259601 /nfs/dbraw/zinc/25/96/01/999259601.db2.gz FAWHEQGMIPOIKX-UHFFFAOYSA-N -1 1 352.329 2.586 20 30 FFEDMM CCn1c2ccccc2nc1C(C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000741460051 999728357 /nfs/dbraw/zinc/72/83/57/999728357.db2.gz KXOIYJSYYFQIEF-UHFFFAOYSA-N -1 1 367.434 2.519 20 30 FFEDMM Cc1cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)c(C)n1-c1ccccc1 ZINC000769818092 1000597742 /nfs/dbraw/zinc/59/77/42/1000597742.db2.gz OLFOSWWZRHJDDJ-UHFFFAOYSA-N -1 1 361.409 2.922 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785638369 1001465459 /nfs/dbraw/zinc/46/54/59/1001465459.db2.gz RTWYWELDEBKADP-LSDHHAIUSA-N -1 1 359.426 2.830 20 30 FFEDMM CC(=NN[C@@H]1CCOC1)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000788445562 1001803883 /nfs/dbraw/zinc/80/38/83/1001803883.db2.gz HRWBDDNHDLDFSD-GOSISDBHSA-N -1 1 373.478 2.898 20 30 FFEDMM O=C(COCC1CC1)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001182476904 1001933064 /nfs/dbraw/zinc/93/30/64/1001933064.db2.gz VJKIOMWMYOEXCM-QGMBQPNBSA-N -1 1 358.423 2.587 20 30 FFEDMM COc1cc(OC)nc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC001184247058 1002537615 /nfs/dbraw/zinc/53/76/15/1002537615.db2.gz UOOYOBXIIKGDOE-UHFFFAOYSA-N -1 1 358.181 2.832 20 30 FFEDMM N#Cc1cc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)ccn1 ZINC001185203053 1002861078 /nfs/dbraw/zinc/86/10/78/1002861078.db2.gz DWRYVDPSNWRARJ-UHFFFAOYSA-N -1 1 364.430 2.788 20 30 FFEDMM N#Cc1c[n-]n2c1nc(CN1CCC(c3ccc(F)c(F)c3)CC1)cc2=O ZINC001170254861 1003086518 /nfs/dbraw/zinc/08/65/18/1003086518.db2.gz XEMPFBPRGHKORF-UHFFFAOYSA-N -1 1 369.375 2.964 20 30 FFEDMM CC(C)(S)C[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186743990 1003405275 /nfs/dbraw/zinc/40/52/75/1003405275.db2.gz ZOCBDFQMKYFGAK-UHFFFAOYSA-N -1 1 360.245 2.714 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC4(C3)OCCO4)c2)c1 ZINC001196316232 1003732842 /nfs/dbraw/zinc/73/28/42/1003732842.db2.gz QKNBMDHEWCFZIR-UHFFFAOYSA-N -1 1 350.374 2.520 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N([O-])C(=N)c2ccccc2N)nc1 ZINC001191865446 1003976717 /nfs/dbraw/zinc/97/67/17/1003976717.db2.gz XJULOQNEAWHCMO-UHFFFAOYSA-N -1 1 371.397 2.868 20 30 FFEDMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc(C#N)cc1 ZINC000806016867 1004208373 /nfs/dbraw/zinc/20/83/73/1004208373.db2.gz MSHFXURIZMFIKV-UHFFFAOYSA-N -1 1 360.373 2.824 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CCN2C(=O)OC(C)(C)C ZINC001193160244 1004394844 /nfs/dbraw/zinc/39/48/44/1004394844.db2.gz ALRAOWHPCAKVHX-LLVKDONJSA-N -1 1 351.428 2.638 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccnc2Br)c1 ZINC001193639773 1004532382 /nfs/dbraw/zinc/53/23/82/1004532382.db2.gz COTZKNOKTRDKFT-UHFFFAOYSA-N -1 1 368.212 2.525 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(F)c(OC)c2F)c1 ZINC001193681108 1004550205 /nfs/dbraw/zinc/55/02/05/1004550205.db2.gz QJLQPCUZGXCZJN-UHFFFAOYSA-N -1 1 354.334 2.654 20 30 FFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)c1 ZINC001193689354 1004552708 /nfs/dbraw/zinc/55/27/08/1004552708.db2.gz OIUMBMQTXJUBRD-UHFFFAOYSA-N -1 1 367.308 2.657 20 30 FFEDMM COC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)cc2)CC1 ZINC001201320058 1005199088 /nfs/dbraw/zinc/19/90/88/1005199088.db2.gz OWGIBXBMUKQMKZ-UHFFFAOYSA-N -1 1 370.430 2.872 20 30 FFEDMM COC(=O)/C=C/c1cccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201323584 1005200111 /nfs/dbraw/zinc/20/01/11/1005200111.db2.gz JNZXBMCQKAAEGI-VQHVLOKHSA-N -1 1 356.403 2.854 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000813540996 1005973005 /nfs/dbraw/zinc/97/30/05/1005973005.db2.gz IBZAZOCKQLJSJB-UHFFFAOYSA-N -1 1 371.437 2.879 20 30 FFEDMM CCOC(=O)c1nc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[n-]c1Cl ZINC001134103590 1006156469 /nfs/dbraw/zinc/15/64/69/1006156469.db2.gz UJFYICIBHHRQRS-JTQLQIEISA-N -1 1 360.801 2.929 20 30 FFEDMM C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188526250 1006591039 /nfs/dbraw/zinc/59/10/39/1006591039.db2.gz UQGCRYVGTKAMCH-UHFFFAOYSA-N -1 1 359.451 2.752 20 30 FFEDMM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000815908305 1006822370 /nfs/dbraw/zinc/82/23/70/1006822370.db2.gz XYTZYNNFEISTDI-LBPRGKRZSA-N -1 1 371.780 2.873 20 30 FFEDMM CC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189052248 1006870816 /nfs/dbraw/zinc/87/08/16/1006870816.db2.gz FSUJWGSDEAYREN-LLVKDONJSA-N -1 1 353.188 2.698 20 30 FFEDMM CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)[N-]c1oc(C)nc1C#N ZINC001189460767 1007110669 /nfs/dbraw/zinc/11/06/69/1007110669.db2.gz JTVVGUJLFBERKZ-UHFFFAOYSA-N -1 1 362.336 2.867 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc([O-])cc(C#N)c3)CC[C@@H]21 ZINC000817000303 1007313924 /nfs/dbraw/zinc/31/39/24/1007313924.db2.gz LFNKQJKVOFFMGH-PBHICJAKSA-N -1 1 371.437 2.735 20 30 FFEDMM N#Cc1ccc(F)c(S(=O)(=O)Nc2cc(=O)[n-]n2C2CCCC2)c1 ZINC001190616564 1007702947 /nfs/dbraw/zinc/70/29/47/1007702947.db2.gz XGLBSMDKQWSQGF-UHFFFAOYSA-N -1 1 350.375 2.515 20 30 FFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ncccc2C(F)(F)F)c1 ZINC001190662591 1007722240 /nfs/dbraw/zinc/72/22/40/1007722240.db2.gz JNQNOVZBRJYCEZ-UHFFFAOYSA-N -1 1 359.304 2.590 20 30 FFEDMM N#Cc1cccc2c1CC[C@H]2NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190628846 1007727170 /nfs/dbraw/zinc/72/71/70/1007727170.db2.gz BTFHIIZWSFWEPA-MRXNPFEDSA-N -1 1 357.373 2.533 20 30 FFEDMM COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190939159 1007839590 /nfs/dbraw/zinc/83/95/90/1007839590.db2.gz RBNXMXFRDUEBNZ-UHFFFAOYSA-N -1 1 373.221 2.773 20 30 FFEDMM COC(=O)c1cc(C#N)cc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC001191147913 1007902827 /nfs/dbraw/zinc/90/28/27/1007902827.db2.gz BNSJRBKKAYZPGL-UHFFFAOYSA-N -1 1 360.753 2.965 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859382230 1008509202 /nfs/dbraw/zinc/50/92/02/1008509202.db2.gz OIWKLRDLUPTRHO-UHFFFAOYSA-N -1 1 363.421 2.517 20 30 FFEDMM O=C(CCc1cnoc1)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001178399832 1008965776 /nfs/dbraw/zinc/96/57/76/1008965776.db2.gz HROOUOVVHHJUOZ-QGMBQPNBSA-N -1 1 369.406 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C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)nc(Cl)c1[O-] ZINC001277331673 1036337549 /nfs/dbraw/zinc/33/75/49/1036337549.db2.gz OKXJNDCDAAPILY-VXGBXAGGSA-N -1 1 356.253 2.845 20 30 FFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)c(O[C@@H]2COC[C@H]2F)c1 ZINC001229209909 1036553971 /nfs/dbraw/zinc/55/39/71/1036553971.db2.gz YNIPGLCBYIFJSA-ALGGWMSKSA-N -1 1 358.321 2.830 20 30 FFEDMM CC[C@H](C#CC(=O)OC)Oc1cc(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001229297801 1036601577 /nfs/dbraw/zinc/60/15/77/1036601577.db2.gz RBBRDXPJANDKII-MRXNPFEDSA-N -1 1 354.358 2.663 20 30 FFEDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H]4C=CC(=O)C4)cc3c(=O)c12 ZINC001234796175 1037183589 /nfs/dbraw/zinc/18/35/89/1037183589.db2.gz LAQZROIDBPDGHV-LLVKDONJSA-N -1 1 354.314 2.642 20 30 FFEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(F)c1 ZINC001258273539 1039291505 /nfs/dbraw/zinc/29/15/05/1039291505.db2.gz JSZFPBAISCEXQY-UHFFFAOYSA-N -1 1 360.366 2.841 20 30 FFEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)cc1 ZINC001251845711 1039320795 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20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccccc3=O)cc2)ccc1F ZINC001259418757 1039987116 /nfs/dbraw/zinc/98/71/16/1039987116.db2.gz PSSJFOQVWRJQNE-UHFFFAOYSA-N -1 1 369.377 2.649 20 30 FFEDMM CCS(=O)(=O)[N-]c1c(Br)cc(Br)cc1C#N ZINC001253355769 1040128237 /nfs/dbraw/zinc/12/82/37/1040128237.db2.gz WXWKMIKDYWUONO-UHFFFAOYSA-N -1 1 368.050 2.845 20 30 FFEDMM C[Si](C)(C)C#Cc1ncccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221642 1040472677 /nfs/dbraw/zinc/47/26/77/1040472677.db2.gz LAYGZEOTIAHNEF-UHFFFAOYSA-N -1 1 374.494 2.810 20 30 FFEDMM C=CCCC[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)OC ZINC001213734985 1040855546 /nfs/dbraw/zinc/85/55/46/1040855546.db2.gz GGQDTRDFGIGLEL-JTQLQIEISA-N -1 1 367.254 2.565 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@H](CCF)C1 ZINC001263288367 1042222943 /nfs/dbraw/zinc/22/29/43/1042222943.db2.gz PZMPROXCFQOEIG-LLVKDONJSA-N -1 1 353.833 2.869 20 30 FFEDMM C#CC1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2cccs2)CC1 ZINC001263488636 1042339543 /nfs/dbraw/zinc/33/95/43/1042339543.db2.gz QYBBCNHHODLPPE-UHFFFAOYSA-N -1 1 373.873 2.676 20 30 FFEDMM COC(=O)/C=C/c1ccnc(-c2ccc([O-])c(C#N)c2)c1C(OC)OC ZINC001242563570 1044752065 /nfs/dbraw/zinc/75/20/65/1044752065.db2.gz HKUSNLFWPBUPHI-FNORWQNLSA-N -1 1 354.362 2.803 20 30 FFEDMM C[C@@H]1CCc2c(C(=O)N=C3[N-]S(=O)(=O)c4ccccc43)csc2C1 ZINC001319269142 1045090973 /nfs/dbraw/zinc/09/09/73/1045090973.db2.gz CSSPAPKJATUBQK-SNVBAGLBSA-N -1 1 360.460 2.752 20 30 FFEDMM Cc1cc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc(C#N)c1[N+](=O)[O-] ZINC001327678198 1047994079 /nfs/dbraw/zinc/99/40/79/1047994079.db2.gz HULWGHVYWXIARH-UHFFFAOYSA-N -1 1 370.331 2.670 20 30 FFEDMM C=CC[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)C(=O)[O-] ZINC001333315507 1048829980 /nfs/dbraw/zinc/82/99/80/1048829980.db2.gz GWVNEYGAEMCHCA-HOTGVXAUSA-N -1 1 365.861 2.805 20 30 FFEDMM C#CCCCOc1cccnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001330666201 1049260659 /nfs/dbraw/zinc/26/06/59/1049260659.db2.gz PEBUAINUHGMHMG-UHFFFAOYSA-N -1 1 369.387 2.769 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC001294767675 1049805603 /nfs/dbraw/zinc/80/56/03/1049805603.db2.gz RYPLLFGPTABFNB-OAHLLOKOSA-N -1 1 363.377 2.947 20 30 FFEDMM N#Cc1ccnc(C(=O)Nc2ccc(I)cc2[O-])c1 ZINC001296291206 1050045177 /nfs/dbraw/zinc/04/51/77/1050045177.db2.gz IEXLCOVCAWMPQE-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)C[C@@H]1CCCCO1 ZINC001342041154 1050639232 /nfs/dbraw/zinc/63/92/32/1050639232.db2.gz XVNKFNGTJNXYAX-AWEZNQCLSA-N -1 1 370.457 2.509 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001342701090 1051315116 /nfs/dbraw/zinc/31/51/16/1051315116.db2.gz XESSCDZYDCYGDX-INIZCTEOSA-N -1 1 364.457 2.608 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001342701090 1051315124 /nfs/dbraw/zinc/31/51/24/1051315124.db2.gz XESSCDZYDCYGDX-INIZCTEOSA-N -1 1 364.457 2.608 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1Cc2ccc(OC)cc2C1 ZINC001343314434 1052155514 /nfs/dbraw/zinc/15/55/14/1052155514.db2.gz FKCQCAPABRKTDG-UHFFFAOYSA-N -1 1 371.832 2.822 20 30 FFEDMM C#C[C@H]1CCCCN1c1nnc(-c2nc(Cl)n[n-]2)n1Cc1cccs1 ZINC001345960255 1052685450 /nfs/dbraw/zinc/68/54/50/1052685450.db2.gz NZMDYOYZVACHIB-NSHDSACASA-N -1 1 373.873 2.819 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCc2ccsc2C1 ZINC001345994659 1052699465 /nfs/dbraw/zinc/69/94/65/1052699465.db2.gz SXCUWSOROUXJDP-UHFFFAOYSA-N -1 1 361.862 2.917 20 30 FFEDMM C=CCC[C@@H]1CCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001336239001 1053861880 /nfs/dbraw/zinc/86/18/80/1053861880.db2.gz SGGMIQMZFSARRC-MRXNPFEDSA-N -1 1 352.438 2.640 20 30 FFEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3n[nH]cc3F)s2)cc1 ZINC001543487138 1071484741 /nfs/dbraw/zinc/48/47/41/1071484741.db2.gz HZFVQNBEOGNFNJ-UHFFFAOYSA-N -1 1 360.399 2.817 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H]1Cc1ccccc1 ZINC001356027943 1055228479 /nfs/dbraw/zinc/22/84/79/1055228479.db2.gz LKGVJHYYHVWIBU-OAHLLOKOSA-N -1 1 350.426 2.771 20 30 FFEDMM C=CCn1c(C2CC=CC2)nnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001338973507 1055977725 /nfs/dbraw/zinc/97/77/25/1055977725.db2.gz KIAUUGSLBZVDOB-INIZCTEOSA-N -1 1 369.391 2.545 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@H](COCC)C1 ZINC001338982647 1055987297 /nfs/dbraw/zinc/98/72/97/1055987297.db2.gz VCLCOOJEWFRTOK-GFCCVEGCSA-N -1 1 363.849 2.748 20 30 FFEDMM N#C[C@H](C(=O)[C@@]1(F)CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC001357714925 1055990330 /nfs/dbraw/zinc/99/03/30/1055990330.db2.gz RVEAASICHMKRDU-BMLIUANNSA-N -1 1 361.398 2.581 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(CC)C[C@@H]1CCCO1 ZINC001339497825 1056514687 /nfs/dbraw/zinc/51/46/87/1056514687.db2.gz MUMXEZCBBXWJRZ-AWEZNQCLSA-N -1 1 370.457 2.509 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C ZINC001520433718 1059682959 /nfs/dbraw/zinc/68/29/59/1059682959.db2.gz TWENGFXQAXEHNP-UKRRQHHQSA-N -1 1 350.426 2.942 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCN(C2CC2)CC1 ZINC001515894806 1059867521 /nfs/dbraw/zinc/86/75/21/1059867521.db2.gz DFCGMSULSFTSON-UHFFFAOYSA-N -1 1 374.876 2.560 20 30 FFEDMM COc1cc(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1C#N ZINC001476938529 1061516475 /nfs/dbraw/zinc/51/64/75/1061516475.db2.gz UWQNEMQJSAJLSY-UHFFFAOYSA-N -1 1 363.377 2.780 20 30 FFEDMM C#C[C@H](NS(=O)(=O)c1cc(OC)ccc1[O-])c1ccc(Cl)cc1 ZINC001463836060 1062286244 /nfs/dbraw/zinc/28/62/44/1062286244.db2.gz XARUWGMZSIFQAY-AWEZNQCLSA-N -1 1 351.811 2.707 20 30 FFEDMM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ncccc2OCCCC#N)[n-]n1 ZINC001584405543 1079349285 /nfs/dbraw/zinc/34/92/85/1079349285.db2.gz PIZUWAFIICYMNW-UHFFFAOYSA-N -1 1 371.397 2.695 20 30 FFEDMM N#Cc1cccc(-c2nc(NC(=O)Cc3ccc([O-])c(Cl)c3)n[nH]2)c1 ZINC001559046768 1076120925 /nfs/dbraw/zinc/12/09/25/1076120925.db2.gz SJTZGLGJFHNYCS-UHFFFAOYSA-N -1 1 353.769 2.884 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)c2c(Cl)cccc2Cl)o1 ZINC001561736825 1076415380 /nfs/dbraw/zinc/41/53/80/1076415380.db2.gz JDQMOQFHVRYIGT-UHFFFAOYSA-N -1 1 359.190 2.619 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)OCC ZINC001561828633 1076429942 /nfs/dbraw/zinc/42/99/42/1076429942.db2.gz ULPDZZYPUHCQQY-LBPRGKRZSA-N -1 1 367.801 2.626 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001573736329 1077777921 /nfs/dbraw/zinc/77/79/21/1077777921.db2.gz SHDFTLRXXHXFRS-JKIFEVAISA-N -1 1 361.417 2.503 20 30 FFEDMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001587860529 1079880016 /nfs/dbraw/zinc/88/00/16/1079880016.db2.gz CKNHWAZYOZODRM-UHFFFAOYSA-N -1 1 362.414 2.826 20 30 FFEDMM C#C[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001588330319 1079986610 /nfs/dbraw/zinc/98/66/10/1079986610.db2.gz ZBHZWLQURQAODO-AWEZNQCLSA-N -1 1 355.760 2.764 20 30 FFEDMM C#C[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001588330319 1079986614 /nfs/dbraw/zinc/98/66/14/1079986614.db2.gz ZBHZWLQURQAODO-AWEZNQCLSA-N -1 1 355.760 2.764 20 30 FFEDMM C#CC[C@@H](Cc1ccccc1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001588334379 1079988924 /nfs/dbraw/zinc/98/89/24/1079988924.db2.gz VHDYUPNHSGZQSX-HNNXBMFYSA-N -1 1 355.405 2.856 20 30 FFEDMM C#CC[C@@H](Cc1ccccc1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001588334379 1079988930 /nfs/dbraw/zinc/98/89/30/1079988930.db2.gz VHDYUPNHSGZQSX-HNNXBMFYSA-N -1 1 355.405 2.856 20 30 FFEDMM C=C(C)C(C)(C)C(=O)N[C@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001588393918 1080006441 /nfs/dbraw/zinc/00/64/41/1080006441.db2.gz SUWWJRPNBSUMMC-SNVBAGLBSA-N -1 1 363.491 2.541 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001588401376 1080010067 /nfs/dbraw/zinc/01/00/67/1080010067.db2.gz QPLYKSXHBZSWIN-RNCFNFMXSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001588401376 1080010078 /nfs/dbraw/zinc/01/00/78/1080010078.db2.gz QPLYKSXHBZSWIN-RNCFNFMXSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001588431150 1080025741 /nfs/dbraw/zinc/02/57/41/1080025741.db2.gz WGEHPXYBXUWHLG-UHFFFAOYSA-N -1 1 371.470 2.924 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](CC)C1 ZINC001588438648 1080029093 /nfs/dbraw/zinc/02/90/93/1080029093.db2.gz XNAQHTDPEIJMQC-LBPRGKRZSA-N -1 1 354.418 2.531 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](CC)C1 ZINC001588438648 1080029101 /nfs/dbraw/zinc/02/91/01/1080029101.db2.gz XNAQHTDPEIJMQC-LBPRGKRZSA-N -1 1 354.418 2.531 20 30 FFEDMM C#CCN1CCC(C(=O)O[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001588477183 1080043649 /nfs/dbraw/zinc/04/36/49/1080043649.db2.gz VYAZOUMGKVZOMN-OAHLLOKOSA-N -1 1 369.339 2.720 20 30 FFEDMM C=CCCCC(=O)N[C@@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588586387 1080109671 /nfs/dbraw/zinc/10/96/71/1080109671.db2.gz HGTWRKABZGJJEQ-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCCC(=O)N[C@@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588586387 1080109676 /nfs/dbraw/zinc/10/96/76/1080109676.db2.gz HGTWRKABZGJJEQ-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCOc1c(Br)cc(CN[C@@H](CF)C(=O)[O-])cc1OC ZINC001588868556 1080222898 /nfs/dbraw/zinc/22/28/98/1080222898.db2.gz KIGMMKXVFSELBS-NSHDSACASA-N -1 1 362.195 2.535 20 30 FFEDMM C=CCN1C(=O)N=NC1SCc1cc(Br)ccc1C(=O)[O-] ZINC001588907288 1080256747 /nfs/dbraw/zinc/25/67/47/1080256747.db2.gz HNBAQLLXJOSGOI-UHFFFAOYSA-N -1 1 370.228 2.923 20 30 FFEDMM CC(C)(C)c1csc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1C#N ZINC001589236952 1080438704 /nfs/dbraw/zinc/43/87/04/1080438704.db2.gz GDMOXEMRIWKPCG-UHFFFAOYSA-N -1 1 367.438 2.674 20 30 FFEDMM CC(C)(C)c1csc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1C#N ZINC001589236952 1080438706 /nfs/dbraw/zinc/43/87/06/1080438706.db2.gz GDMOXEMRIWKPCG-UHFFFAOYSA-N -1 1 367.438 2.674 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnn(C(C)(C)C)c2)o1 ZINC001589238064 1080439848 /nfs/dbraw/zinc/43/98/48/1080439848.db2.gz NHBRLSACQNPYKQ-UHFFFAOYSA-N -1 1 357.422 2.550 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ncccc2Br)ccc1C#N ZINC000235905435 509454507 /nfs/dbraw/zinc/45/45/07/509454507.db2.gz PGFOWSSKXRXKQP-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM O=C(Cc1csc(-c2cnccn2)n1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000066629099 506585303 /nfs/dbraw/zinc/58/53/03/506585303.db2.gz WGQUOLNLCVSARV-UHFFFAOYSA-N -1 1 355.305 2.568 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000055616222 506799096 /nfs/dbraw/zinc/79/90/96/506799096.db2.gz GVMGZDQAOMMDTK-UHFFFAOYSA-N -1 1 360.435 2.726 20 30 FFEDMM CC(C)n1ncc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cnc21 ZINC000069345349 507472088 /nfs/dbraw/zinc/47/20/88/507472088.db2.gz KTFRZDQDMJDQIP-OAHLLOKOSA-N -1 1 363.425 2.820 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000029329475 507774660 /nfs/dbraw/zinc/77/46/60/507774660.db2.gz YXNKHXBAFKRCBJ-UHFFFAOYSA-N -1 1 373.434 2.998 20 30 FFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000063878647 507778285 /nfs/dbraw/zinc/77/82/85/507778285.db2.gz SZTLAOURMKUXMQ-UHFFFAOYSA-N -1 1 355.419 2.794 20 30 FFEDMM CC(=O)N(CCc1ccccc1)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000090394311 507917006 /nfs/dbraw/zinc/91/70/06/507917006.db2.gz CZBZNGAHBYJGID-UHFFFAOYSA-N -1 1 355.320 2.503 20 30 FFEDMM N#Cc1ccc(OC2CCC(NC(=O)c3cc(F)ccc3[O-])CC2)nc1 ZINC000092035228 508035692 /nfs/dbraw/zinc/03/56/92/508035692.db2.gz FTSIQENSDGVMHL-UHFFFAOYSA-N -1 1 355.369 2.918 20 30 FFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000076946915 508265774 /nfs/dbraw/zinc/26/57/74/508265774.db2.gz BFWRZLSSWVDSRY-JTQLQIEISA-N -1 1 359.352 2.983 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1 ZINC000114673398 508335587 /nfs/dbraw/zinc/33/55/87/508335587.db2.gz FWSXEUNLYPNQEL-UHFFFAOYSA-N -1 1 369.446 2.904 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC#N)c2)c1 ZINC000116584898 508535112 /nfs/dbraw/zinc/53/51/12/508535112.db2.gz RKMIYEKZIWDGSL-UHFFFAOYSA-N -1 1 357.435 2.700 20 30 FFEDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2F)c1 ZINC000134466962 508536256 /nfs/dbraw/zinc/53/62/56/508536256.db2.gz KMVGNAGVQYBUET-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(F)c1F ZINC000119033952 508710553 /nfs/dbraw/zinc/71/05/53/508710553.db2.gz SLDHJQGJLGWTGE-VIFPVBQESA-N -1 1 367.333 2.784 20 30 FFEDMM Cc1ccc(C(=O)NC2(C#N)CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000123958347 508763030 /nfs/dbraw/zinc/76/30/30/508763030.db2.gz HABSHKYXLIKAIN-UHFFFAOYSA-N -1 1 373.409 2.721 20 30 FFEDMM N#Cc1ccc(OC2CN(C(=O)c3ccc(Br)cc3[O-])C2)cc1 ZINC000130646906 508826672 /nfs/dbraw/zinc/82/66/72/508826672.db2.gz PJBIRALTRLBUSV-UHFFFAOYSA-N -1 1 373.206 2.930 20 30 FFEDMM CC#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000126570494 509097077 /nfs/dbraw/zinc/09/70/77/509097077.db2.gz NWUIDALDIQIRAN-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM COCCOCCN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188729679 509233934 /nfs/dbraw/zinc/23/39/34/509233934.db2.gz FYJWEKJOHKLURX-UHFFFAOYSA-N -1 1 354.406 2.569 20 30 FFEDMM Cc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(O[C@H]2CCOC2)c1 ZINC000188733638 509235570 /nfs/dbraw/zinc/23/55/70/509235570.db2.gz DOELWJIHRCCHGD-KRWDZBQOSA-N -1 1 352.390 2.670 20 30 FFEDMM COc1ccc(CN(C(=O)c2ccc(C#N)c([O-])c2)[C@H](CO)C(C)C)cc1 ZINC000189196995 509458841 /nfs/dbraw/zinc/45/88/41/509458841.db2.gz HXPVEZOQBBJHCE-LJQANCHMSA-N -1 1 368.433 2.932 20 30 FFEDMM C#CCOc1cccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000264571789 509606265 /nfs/dbraw/zinc/60/62/65/509606265.db2.gz UUSHCPBSUOLEPW-UHFFFAOYSA-N -1 1 357.435 2.796 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000177990465 510363115 /nfs/dbraw/zinc/36/31/15/510363115.db2.gz VEJPVWZKLCTNEC-UHFFFAOYSA-N -1 1 350.783 2.640 20 30 FFEDMM C[C@@H](C#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000171840159 510401989 /nfs/dbraw/zinc/40/19/89/510401989.db2.gz KDMJIAPIAWSXFC-LBPRGKRZSA-N -1 1 361.398 2.516 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](C)C#N)cc2)c1 ZINC000171846067 510405394 /nfs/dbraw/zinc/40/53/94/510405394.db2.gz GKTAHSLDZRVOSP-AWEZNQCLSA-N -1 1 371.462 2.994 20 30 FFEDMM CCOc1c(Cl)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC ZINC000298671085 511370061 /nfs/dbraw/zinc/37/00/61/511370061.db2.gz OJFGIQXSICNNNF-JFDDCEBESA-N -1 1 364.781 2.976 20 30 FFEDMM Cc1ccc(C#N)cc1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281519159 511876166 /nfs/dbraw/zinc/87/61/66/511876166.db2.gz XXBPSDRLZXNWMT-UHFFFAOYSA-N -1 1 368.359 2.789 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)CC3(C#N)CCCCC3)CCCCC2)no1 ZINC000329608195 512076738 /nfs/dbraw/zinc/07/67/38/512076738.db2.gz COBCVOSPFQEFIY-UHFFFAOYSA-N -1 1 366.487 2.931 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2-n2cnc(C#N)n2)c1 ZINC000368170108 512829839 /nfs/dbraw/zinc/82/98/39/512829839.db2.gz AGGLQGNXJOPBQJ-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1Cl ZINC000391195132 512915044 /nfs/dbraw/zinc/91/50/44/512915044.db2.gz VSBGLMMVINRMOR-UHFFFAOYSA-N -1 1 350.783 2.784 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)cc1 ZINC000370564887 512995389 /nfs/dbraw/zinc/99/53/89/512995389.db2.gz ZZJRNVRYBISMIX-UHFFFAOYSA-N -1 1 363.389 2.940 20 30 FFEDMM C=C(C)C(C)(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000424775000 513275030 /nfs/dbraw/zinc/27/50/30/513275030.db2.gz ZXNACSMUNXULTH-UHFFFAOYSA-N -1 1 354.472 2.964 20 30 FFEDMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000447258247 513427724 /nfs/dbraw/zinc/42/77/24/513427724.db2.gz CVSWTCPSKYLABW-UHFFFAOYSA-N -1 1 358.423 2.809 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1nc(C(C)(C)C)no1 ZINC000451289544 513656374 /nfs/dbraw/zinc/65/63/74/513656374.db2.gz XPCCKZGHSBTXQD-SNVBAGLBSA-N -1 1 366.418 2.558 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(C)c2)ccc1C#N ZINC000435717164 513666701 /nfs/dbraw/zinc/66/67/01/513666701.db2.gz ZITFWGYEIUHMIP-UHFFFAOYSA-N -1 1 357.435 2.678 20 30 FFEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cn2)n1 ZINC000435753172 513677214 /nfs/dbraw/zinc/67/72/14/513677214.db2.gz PHBZDLBHHJTRLI-UHFFFAOYSA-N -1 1 367.434 2.865 20 30 FFEDMM Cc1nc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)n(-c2ccccc2)n1 ZINC000448255061 513720455 /nfs/dbraw/zinc/72/04/55/513720455.db2.gz ICLMYQRSEBWNOX-UHFFFAOYSA-N -1 1 370.372 2.777 20 30 FFEDMM Cn1ccnc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1F ZINC000442898291 513807410 /nfs/dbraw/zinc/80/74/10/513807410.db2.gz KLASKASBCIEVAO-KRWDZBQOSA-N -1 1 350.353 2.656 20 30 FFEDMM N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000448621451 513815135 /nfs/dbraw/zinc/81/51/35/513815135.db2.gz JJFIERLXVCMUPJ-UHFFFAOYSA-N -1 1 367.424 2.680 20 30 FFEDMM COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443093983 513869313 /nfs/dbraw/zinc/86/93/13/513869313.db2.gz KGAWRHZYBYIBCD-NSHDSACASA-N -1 1 361.379 2.515 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCC1 ZINC000416670423 513899592 /nfs/dbraw/zinc/89/95/92/513899592.db2.gz LOPQTWYMDDQGPO-UHFFFAOYSA-N -1 1 365.199 2.699 20 30 FFEDMM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443289215 513921814 /nfs/dbraw/zinc/92/18/14/513921814.db2.gz YQQFAPIYKNTYQC-SJORKVTESA-N -1 1 356.422 2.848 20 30 FFEDMM C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000448869026 513942018 /nfs/dbraw/zinc/94/20/18/513942018.db2.gz MOOFQSLOHQBAQQ-LIRRHRJNSA-N -1 1 369.446 2.653 20 30 FFEDMM N#Cc1ccc(OC2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436983391 514061623 /nfs/dbraw/zinc/06/16/23/514061623.db2.gz XBXJOQWGAMGPNM-UHFFFAOYSA-N -1 1 350.374 2.517 20 30 FFEDMM CCC[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nn[n-]n1 ZINC000444272272 514174746 /nfs/dbraw/zinc/17/47/46/514174746.db2.gz ULENYJWHVQNMAZ-HNNXBMFYSA-N -1 1 351.414 2.729 20 30 FFEDMM C=CCCCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000427774073 514310495 /nfs/dbraw/zinc/31/04/95/514310495.db2.gz ONOCNNJVGNQYCG-UHFFFAOYSA-N -1 1 363.439 2.864 20 30 FFEDMM CCCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]n1 ZINC000432949646 514333693 /nfs/dbraw/zinc/33/36/93/514333693.db2.gz OHENZWQKEJOFLQ-UHFFFAOYSA-N -1 1 369.244 2.797 20 30 FFEDMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000497946143 514695035 /nfs/dbraw/zinc/69/50/35/514695035.db2.gz KJFMLPBYNBLZCA-UHFFFAOYSA-N -1 1 363.826 2.649 20 30 FFEDMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1CC#N ZINC000475784751 514809202 /nfs/dbraw/zinc/80/92/02/514809202.db2.gz DZLIFKFLISFCRJ-UHFFFAOYSA-N -1 1 362.432 2.974 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1C(=O)N(C)C ZINC000475803488 514816761 /nfs/dbraw/zinc/81/67/61/514816761.db2.gz DLOMLMIWPGGOQD-UHFFFAOYSA-N -1 1 357.435 2.564 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(CC#N)c2)o1 ZINC000456742130 515396369 /nfs/dbraw/zinc/39/63/69/515396369.db2.gz ZCTIMVRHUHMVOY-UHFFFAOYSA-N -1 1 361.423 2.675 20 30 FFEDMM CC[C@@]([N-]S(=O)(=O)c1cccc(C)c1C#N)(C(=O)OC)c1ccccc1 ZINC000510487606 515554657 /nfs/dbraw/zinc/55/46/57/515554657.db2.gz BLBJDVBGPUJDTF-IBGZPJMESA-N -1 1 372.446 2.624 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(N(C)C)oc2c1 ZINC000464916190 516012456 /nfs/dbraw/zinc/01/24/56/516012456.db2.gz YWKBPIORQOMPSU-UHFFFAOYSA-N -1 1 356.407 2.875 20 30 FFEDMM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000474398381 516030117 /nfs/dbraw/zinc/03/01/17/516030117.db2.gz UXVRFEOYWRWMPH-UHFFFAOYSA-N -1 1 360.366 2.931 20 30 FFEDMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561513825 516627198 /nfs/dbraw/zinc/62/71/98/516627198.db2.gz LMLQTKFMWYDBCU-ZUZCIYMTSA-N -1 1 354.815 2.859 20 30 FFEDMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561513824 516627702 /nfs/dbraw/zinc/62/77/02/516627702.db2.gz LMLQTKFMWYDBCU-MEBBXXQBSA-N -1 1 354.815 2.859 20 30 FFEDMM C=CCOCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000521472353 517746403 /nfs/dbraw/zinc/74/64/03/517746403.db2.gz YRQMJBMSOMNTPL-UHFFFAOYSA-N -1 1 360.435 2.937 20 30 FFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000546707578 517808456 /nfs/dbraw/zinc/80/84/56/517808456.db2.gz PQDMIEBJPYRVGI-UHFFFAOYSA-N -1 1 372.402 2.555 20 30 FFEDMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1F ZINC000563579648 517995352 /nfs/dbraw/zinc/99/53/52/517995352.db2.gz SIOIULZSHFCVNI-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1F ZINC000564663312 518553223 /nfs/dbraw/zinc/55/32/23/518553223.db2.gz CRHCPZNXVGABRQ-JTQLQIEISA-N -1 1 365.333 2.736 20 30 FFEDMM CCOC(=O)c1sc([N-]C(=O)c2scnc2COC)c(C#N)c1C ZINC000585734299 518579059 /nfs/dbraw/zinc/57/90/59/518579059.db2.gz LJOYQTFZGVHNJG-UHFFFAOYSA-N -1 1 365.436 2.960 20 30 FFEDMM COc1c(NC(=O)c2cc([O-])cc(C#N)c2)cc(Cl)cc1C(=O)N(C)C ZINC000586842328 518661129 /nfs/dbraw/zinc/66/11/29/518661129.db2.gz YXGBLFCJNMRESR-UHFFFAOYSA-N -1 1 373.796 2.880 20 30 FFEDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1F ZINC000579418958 518668357 /nfs/dbraw/zinc/66/83/57/518668357.db2.gz VQUAKBZMPZGTLY-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000589168478 518938210 /nfs/dbraw/zinc/93/82/10/518938210.db2.gz JGBURSREEYQFAM-UHFFFAOYSA-N -1 1 369.808 2.515 20 30 FFEDMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589182117 518942778 /nfs/dbraw/zinc/94/27/78/518942778.db2.gz PVNUBMPUBVYJGZ-AWEZNQCLSA-N -1 1 352.390 2.715 20 30 FFEDMM COC(=O)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000589188262 518945994 /nfs/dbraw/zinc/94/59/94/518945994.db2.gz RVBMHSHVFVZOQG-INIZCTEOSA-N -1 1 358.781 2.951 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000589555321 519029397 /nfs/dbraw/zinc/02/93/97/519029397.db2.gz XOKTWMSEPGJTQA-UHFFFAOYSA-N -1 1 359.798 2.798 20 30 FFEDMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnc(C#N)n2)cc1 ZINC000589556716 519031288 /nfs/dbraw/zinc/03/12/88/519031288.db2.gz MBPFFLPUVAWICH-UHFFFAOYSA-N -1 1 367.434 2.892 20 30 FFEDMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000566045637 519262403 /nfs/dbraw/zinc/26/24/03/519262403.db2.gz GECFOHXNNOADBO-UHFFFAOYSA-N -1 1 352.318 2.644 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N[C@H](C#N)c2ccc(F)cc2)c(=O)[n-]1 ZINC000590639242 519299058 /nfs/dbraw/zinc/29/90/58/519299058.db2.gz ALVWIAZTGKTZLS-CQSZACIVSA-N -1 1 360.414 2.665 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)c(F)c1 ZINC000616430889 520012872 /nfs/dbraw/zinc/01/28/72/520012872.db2.gz ZQESGPZRCBYKRZ-AWEZNQCLSA-N -1 1 368.336 2.529 20 30 FFEDMM COc1cc([C@H](C#N)NC(=O)c2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000613501604 520530879 /nfs/dbraw/zinc/53/08/79/520530879.db2.gz KAMOKGVFQBLAQH-ZDUSSCGKSA-N -1 1 360.341 2.552 20 30 FFEDMM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000610573121 520744714 /nfs/dbraw/zinc/74/47/14/520744714.db2.gz DWRMMRUZCAAYIM-KRWDZBQOSA-N -1 1 357.360 2.693 20 30 FFEDMM CCOCCOCc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614296675 520894500 /nfs/dbraw/zinc/89/45/00/520894500.db2.gz LTYFYVRXGXUIJV-UHFFFAOYSA-N -1 1 354.406 2.747 20 30 FFEDMM COc1ccccc1N1CC[C@H](CNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614298101 520896584 /nfs/dbraw/zinc/89/65/84/520896584.db2.gz CMSPXCQCNSZBLR-CQSZACIVSA-N -1 1 351.406 2.529 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N[C@H]2CCc3cc(C#N)ccc32)c(=O)[n-]1 ZINC000618739036 521206985 /nfs/dbraw/zinc/20/69/85/521206985.db2.gz XAVIMEYWQQDCQS-INIZCTEOSA-N -1 1 368.462 2.821 20 30 FFEDMM C[C@@H]1CN(c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cn2)C[C@H](C)O1 ZINC000619450325 521574691 /nfs/dbraw/zinc/57/46/91/521574691.db2.gz BQWGVNOGNIVABE-BETUJISGSA-N -1 1 352.394 2.525 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c1 ZINC000619461555 521579515 /nfs/dbraw/zinc/57/95/15/521579515.db2.gz VEBHFHYRDLYVOH-UHFFFAOYSA-N -1 1 352.318 2.875 20 30 FFEDMM CO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462208 521581406 /nfs/dbraw/zinc/58/14/06/521581406.db2.gz PMRWHXIPNLYMLF-ZDUSSCGKSA-N -1 1 373.434 2.527 20 30 FFEDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461914 521581552 /nfs/dbraw/zinc/58/15/52/521581552.db2.gz CWYUMMXODSRUEU-UHFFFAOYSA-N -1 1 357.435 2.693 20 30 FFEDMM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000616030258 521608175 /nfs/dbraw/zinc/60/81/75/521608175.db2.gz PKUKPEIPHOCZOZ-UHFFFAOYSA-N -1 1 359.332 2.643 20 30 FFEDMM N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737727463 598990012 /nfs/dbraw/zinc/99/00/12/598990012.db2.gz NTZNDILZYSOJNR-UHFFFAOYSA-N -1 1 371.360 2.573 20 30 FFEDMM N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737727463 598990013 /nfs/dbraw/zinc/99/00/13/598990013.db2.gz NTZNDILZYSOJNR-UHFFFAOYSA-N -1 1 371.360 2.573 20 30 FFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000819811652 597662577 /nfs/dbraw/zinc/66/25/77/597662577.db2.gz TUWGXAKBLPKOOD-LIRRHRJNSA-N -1 1 373.457 2.563 20 30 FFEDMM COCc1cccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1 ZINC000821695899 599337190 /nfs/dbraw/zinc/33/71/90/599337190.db2.gz MMETZYXVNHXQLM-UHFFFAOYSA-N -1 1 355.402 2.646 20 30 FFEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)S1 ZINC000822294377 599377973 /nfs/dbraw/zinc/37/79/73/599377973.db2.gz YSDULJDUUFBICJ-JYRVWZFOSA-N -1 1 366.406 2.968 20 30 FFEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)S1 ZINC000822294377 599377978 /nfs/dbraw/zinc/37/79/78/599377978.db2.gz YSDULJDUUFBICJ-JYRVWZFOSA-N -1 1 366.406 2.968 20 30 FFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736215132 600304472 /nfs/dbraw/zinc/30/44/72/600304472.db2.gz JALNGYZBKKLBQV-SMDDNHRTSA-N -1 1 361.829 2.725 20 30 FFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c1C#N ZINC000738254527 600370196 /nfs/dbraw/zinc/37/01/96/600370196.db2.gz YFDWGHFOPJUBTE-ZDUSSCGKSA-N -1 1 368.437 2.557 20 30 FFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(CCc3cccs3)CC2)cc1 ZINC000739105893 600566545 /nfs/dbraw/zinc/56/65/45/600566545.db2.gz ONGWIYIASQWCOI-GOSISDBHSA-N -1 1 355.463 2.606 20 30 FFEDMM C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc(C#N)c1 ZINC000827727039 600693285 /nfs/dbraw/zinc/69/32/85/600693285.db2.gz FJGUPEFOWKFJCT-IAQYHMDHSA-N -1 1 355.419 2.774 20 30 FFEDMM COc1cc2c(cc1OC)CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC000832103656 601309580 /nfs/dbraw/zinc/30/95/80/601309580.db2.gz WIPJDBTVJXFTKX-LJQANCHMSA-N -1 1 352.390 2.759 20 30 FFEDMM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738619091 601851047 /nfs/dbraw/zinc/85/10/47/601851047.db2.gz XEUAOOWCIXCCJH-IRXDYDNUSA-N -1 1 372.469 2.644 20 30 FFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000825966670 601872722 /nfs/dbraw/zinc/87/27/22/601872722.db2.gz JRJNCYOUJWXIFC-WBMJQRKESA-N -1 1 363.483 2.966 20 30 FFEDMM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000833417371 604952856 /nfs/dbraw/zinc/95/28/56/604952856.db2.gz RFQYNLBQEXYSMR-UONOGXRCSA-N -1 1 361.467 2.548 20 30 FFEDMM C=CCC[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000833372979 605055715 /nfs/dbraw/zinc/05/57/15/605055715.db2.gz CAZPEYFKHOQQRS-SJLPKXTDSA-N -1 1 359.470 2.884 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822801449 606445579 /nfs/dbraw/zinc/44/55/79/606445579.db2.gz JNBZEXLNWNWHAZ-UONOGXRCSA-N -1 1 364.434 2.840 20 30 FFEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822801449 606445580 /nfs/dbraw/zinc/44/55/80/606445580.db2.gz JNBZEXLNWNWHAZ-UONOGXRCSA-N -1 1 364.434 2.840 20 30 FFEDMM COc1cccc2c1CCC2N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000821877844 607111170 /nfs/dbraw/zinc/11/11/70/607111170.db2.gz XDHIIQZCFSIZBU-UHFFFAOYSA-N -1 1 367.413 2.923 20 30 FFEDMM C=C(CC)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000823883305 608291168 /nfs/dbraw/zinc/29/11/68/608291168.db2.gz OCCNPHGMHHAZDY-UHFFFAOYSA-N -1 1 360.215 2.910 20 30 FFEDMM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)nc2)c(-c2nnn[n-]2)s1 ZINC000824129997 608347720 /nfs/dbraw/zinc/34/77/20/608347720.db2.gz GKMMYSZUGWKUDF-UHFFFAOYSA-N -1 1 353.411 2.745 20 30 FFEDMM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)nc2)c(-c2nn[n-]n2)s1 ZINC000824129997 608347722 /nfs/dbraw/zinc/34/77/22/608347722.db2.gz GKMMYSZUGWKUDF-UHFFFAOYSA-N -1 1 353.411 2.745 20 30 FFEDMM COc1nnc([N-]C(=O)c2ccc(COc3ccccc3C#N)o2)s1 ZINC000616030177 676237183 /nfs/dbraw/zinc/23/71/83/676237183.db2.gz WKVLGAVXHIPSOE-UHFFFAOYSA-N -1 1 356.363 2.843 20 30 FFEDMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000075082154 728243462 /nfs/dbraw/zinc/24/34/62/728243462.db2.gz SQSKHJPRJBMLKI-UHFFFAOYSA-N -1 1 363.826 2.995 20 30 FFEDMM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1cccc2cn[nH]c21 ZINC000091125644 728455201 /nfs/dbraw/zinc/45/52/01/728455201.db2.gz PASCWALLPUQPEY-UHFFFAOYSA-N -1 1 357.391 2.581 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000101572481 728486695 /nfs/dbraw/zinc/48/66/95/728486695.db2.gz LQRIVWHXTHLFPT-UHFFFAOYSA-N -1 1 351.771 2.598 20 30 FFEDMM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125454657 728683768 /nfs/dbraw/zinc/68/37/68/728683768.db2.gz KTKSDBUVESYPQS-UHFFFAOYSA-N -1 1 365.405 2.689 20 30 FFEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000126441382 728702470 /nfs/dbraw/zinc/70/24/70/728702470.db2.gz MGWCCECEWOOCFE-ZETCQYMHSA-N -1 1 355.616 2.822 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000126572341 728704194 /nfs/dbraw/zinc/70/41/94/728704194.db2.gz ICEMHOLBKOMWLB-UHFFFAOYSA-N -1 1 352.200 2.809 20 30 FFEDMM C#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000172933208 729036042 /nfs/dbraw/zinc/03/60/42/729036042.db2.gz JZXRYHNOCAEOGC-UHFFFAOYSA-N -1 1 356.447 2.939 20 30 FFEDMM CN1N=C(CC[N-]C(=O)C(F)(F)F)CS/C1=N/Cc1ccccc1 ZINC000864344119 730840443 /nfs/dbraw/zinc/84/04/43/730840443.db2.gz HNPKDVIXQRLBIL-XSFVSMFZSA-N -1 1 358.389 2.646 20 30 FFEDMM C[C@]1(C#N)CCCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC000867362610 731175528 /nfs/dbraw/zinc/17/55/28/731175528.db2.gz IJQYHCXVVPGDHL-CQSZACIVSA-N -1 1 370.190 2.763 20 30 FFEDMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000657036191 731709160 /nfs/dbraw/zinc/70/91/60/731709160.db2.gz BAJIMNGKRLRPDF-QWRGUYRKSA-N -1 1 351.394 2.852 20 30 FFEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000872462592 731772891 /nfs/dbraw/zinc/77/28/91/731772891.db2.gz CPCYJVHQFDNCKM-PEBXRYMYSA-N -1 1 357.501 2.762 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2cc(C#N)c(F)cc2F)c(=O)[n-]1 ZINC000876344041 732236950 /nfs/dbraw/zinc/23/69/50/732236950.db2.gz POWZSUGYRQVSGS-UHFFFAOYSA-N -1 1 364.377 2.934 20 30 FFEDMM Cc1cc(Br)c([O-])c(C=NNCCOCC(F)(F)F)c1 ZINC000781597909 738639551 /nfs/dbraw/zinc/63/95/51/738639551.db2.gz ZZFNLYMIVXVCFI-UHFFFAOYSA-N -1 1 355.154 2.966 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccncc1 ZINC000881905064 733133214 /nfs/dbraw/zinc/13/32/14/733133214.db2.gz QLRKCWMNPRCNLK-MWTRTKDXSA-N -1 1 371.528 2.964 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000727970775 734509174 /nfs/dbraw/zinc/50/91/74/734509174.db2.gz CJXNWGWNFSFFBF-UHFFFAOYSA-N -1 1 369.324 2.658 20 30 FFEDMM C#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000733287470 734804224 /nfs/dbraw/zinc/80/42/24/734804224.db2.gz FKWQYTMRUUMGCC-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM C#CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000733287849 734804390 /nfs/dbraw/zinc/80/43/90/734804390.db2.gz RUYAFXDTXMZIJZ-UHFFFAOYSA-N -1 1 360.410 2.688 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCC[C@@H](C3CC3)C2)cc1 ZINC000737434052 735009058 /nfs/dbraw/zinc/00/90/58/735009058.db2.gz LACLCZVGGSDORK-CQSZACIVSA-N -1 1 351.428 2.970 20 30 FFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(F)cc1F ZINC000749770067 735747040 /nfs/dbraw/zinc/74/70/40/735747040.db2.gz VJPFWHMBOJGYTE-UHFFFAOYSA-N -1 1 365.361 2.904 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCC(C)(C)O2)cc1 ZINC000901608183 735803099 /nfs/dbraw/zinc/80/30/99/735803099.db2.gz BNMSLWFOUZUPJF-INIZCTEOSA-N -1 1 366.483 2.692 20 30 FFEDMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1F ZINC000903150481 736042087 /nfs/dbraw/zinc/04/20/87/736042087.db2.gz RYTCUARSTFAHFT-UHFFFAOYSA-N -1 1 350.419 2.968 20 30 FFEDMM C#C[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000754388513 736154817 /nfs/dbraw/zinc/15/48/17/736154817.db2.gz MGHSYVRHVFNDDZ-MRXNPFEDSA-N -1 1 356.447 2.937 20 30 FFEDMM CCN(C(C)=O)c1nc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cs1 ZINC000757471447 736406517 /nfs/dbraw/zinc/40/65/17/736406517.db2.gz CISKFPKQVKMOIG-FNORWQNLSA-N -1 1 360.391 2.816 20 30 FFEDMM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccccc1Br ZINC000767477672 737329733 /nfs/dbraw/zinc/32/97/33/737329733.db2.gz PERIYBMIEYVYDZ-NSHDSACASA-N -1 1 359.170 2.680 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CC[C@H]2c2ccccc2)cc1 ZINC000769780497 737565358 /nfs/dbraw/zinc/56/53/58/737565358.db2.gz QSIXBXWBSDVUJW-INIZCTEOSA-N -1 1 359.407 2.948 20 30 FFEDMM CSc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000814822433 741867818 /nfs/dbraw/zinc/86/78/18/741867818.db2.gz NHTQEWWMQZYBCY-UHFFFAOYSA-N -1 1 371.465 2.832 20 30 FFEDMM CC(C)(C)[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000814822599 741867855 /nfs/dbraw/zinc/86/78/55/741867855.db2.gz UPTGFILECODMLU-CQSZACIVSA-N -1 1 371.484 2.922 20 30 FFEDMM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000785399800 738961025 /nfs/dbraw/zinc/96/10/25/738961025.db2.gz SJKWMIHCNPAHCE-CQSZACIVSA-N -1 1 361.354 2.571 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Br ZINC000788478246 739248606 /nfs/dbraw/zinc/24/86/06/739248606.db2.gz OBWXIPHEDXNEKU-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM N#CC1([N-]C(=O)C(F)(F)c2cccc(Br)c2)CCOCC1 ZINC000932932579 739540351 /nfs/dbraw/zinc/54/03/51/739540351.db2.gz TUIXAKJZUTVXGR-UHFFFAOYSA-N -1 1 359.170 2.730 20 30 FFEDMM N#CC1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCSCC1 ZINC000934705230 739825418 /nfs/dbraw/zinc/82/54/18/739825418.db2.gz KYLUMIRYSNOANP-UHFFFAOYSA-N -1 1 358.463 2.850 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1C#N ZINC000794019055 739841642 /nfs/dbraw/zinc/84/16/42/739841642.db2.gz PVJVXKAGFCKIOS-UHFFFAOYSA-N -1 1 350.831 2.782 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(C(F)F)cc1 ZINC000794519028 739899656 /nfs/dbraw/zinc/89/96/56/739899656.db2.gz HXFZSMHOKBSVDD-UHFFFAOYSA-N -1 1 355.322 2.845 20 30 FFEDMM N#C[C@H](C(=O)COC(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000796753406 740179960 /nfs/dbraw/zinc/17/99/60/740179960.db2.gz MAWVXXOYYTXCIJ-MRVPVSSYSA-N -1 1 353.350 2.691 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(F)ccc(Br)c2F)c(=O)o1 ZINC000799888929 740460685 /nfs/dbraw/zinc/46/06/85/740460685.db2.gz JXDNIOIZTSAIMH-ADQTWTKMSA-N -1 1 371.133 2.956 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ncc(-c3ccccc3)s2)c2ccccc21 ZINC000811638654 741544770 /nfs/dbraw/zinc/54/47/70/741544770.db2.gz VAQMNXNYNUARNU-UHFFFAOYSA-N -1 1 368.443 2.883 20 30 FFEDMM Cc1nc(NC(=O)c2ccc3n[n-]c(=S)n3c2)sc1SCC#N ZINC000813432293 741715412 /nfs/dbraw/zinc/71/54/12/741715412.db2.gz JOANVAAYIGAREG-UHFFFAOYSA-N -1 1 362.465 2.651 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000816569391 742042834 /nfs/dbraw/zinc/04/28/34/742042834.db2.gz JXAYUDWAQCREEV-QWHCGFSZSA-N -1 1 351.834 2.894 20 30 FFEDMM N#Cc1ccc(OS(=O)(=O)c2c[n-]nc2C(F)(F)F)c(Cl)c1 ZINC000820781145 742548747 /nfs/dbraw/zinc/54/87/47/742548747.db2.gz ILKRDQTUXSTECV-UHFFFAOYSA-N -1 1 351.693 2.721 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000823780830 742978361 /nfs/dbraw/zinc/97/83/61/742978361.db2.gz ZGSDDXPNJDYWTF-GWCFXTLKSA-N -1 1 355.232 2.545 20 30 FFEDMM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832597734 745725799 /nfs/dbraw/zinc/72/57/99/745725799.db2.gz ZTWRZGVSFJACSW-MRVPVSSYSA-N -1 1 369.226 2.507 20 30 FFEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832597735 745726007 /nfs/dbraw/zinc/72/60/07/745726007.db2.gz ZTWRZGVSFJACSW-QMMMGPOBSA-N -1 1 369.226 2.507 20 30 FFEDMM C#CCCCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841504629 747373886 /nfs/dbraw/zinc/37/38/86/747373886.db2.gz IZEZTXMFEISIBQ-UHFFFAOYSA-N -1 1 361.822 2.738 20 30 FFEDMM C#C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000851531441 749612924 /nfs/dbraw/zinc/61/29/24/749612924.db2.gz HRTGIWPJOMXUKA-STQMWFEESA-N -1 1 353.440 2.705 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)cc2[N+](=O)[O-])o1 ZINC000823963129 946527619 /nfs/dbraw/zinc/52/76/19/946527619.db2.gz VZVFRYWFMXXKQK-UHFFFAOYSA-N -1 1 374.336 2.862 20 30 FFEDMM C#C[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)c1ccccc1 ZINC001573281240 946675333 /nfs/dbraw/zinc/67/53/33/946675333.db2.gz WFOAWBFHWJUMJN-OAHLLOKOSA-N -1 1 372.388 2.663 20 30 FFEDMM C#C[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)c1ccccc1 ZINC001573281240 946675347 /nfs/dbraw/zinc/67/53/47/946675347.db2.gz WFOAWBFHWJUMJN-OAHLLOKOSA-N -1 1 372.388 2.663 20 30 FFEDMM CN(C)c1ncc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cn1 ZINC001176329430 1013676982 /nfs/dbraw/zinc/67/69/82/1013676982.db2.gz QXHFPVKXHITBMP-QGMBQPNBSA-N -1 1 367.438 2.821 20 30 FFEDMM C=CCN1CC[C@@]2(CCN(C(=O)c3ccc4sccc4c3[O-])C2)C1=O ZINC001271026777 967976433 /nfs/dbraw/zinc/97/64/33/967976433.db2.gz PRLZCRVNLIRKPX-IBGZPJMESA-N -1 1 356.447 2.858 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C3CC3)nc2C)cc1OC ZINC000760182355 980184945 /nfs/dbraw/zinc/18/49/45/980184945.db2.gz GLIKAJSCKOHSPR-ZDUSSCGKSA-N -1 1 369.377 2.839 20 30 FFEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2coc(C(N)=O)c2)cc1 ZINC000760183512 980188154 /nfs/dbraw/zinc/18/81/54/980188154.db2.gz MKNUTYRNYFHCKM-HNNXBMFYSA-N -1 1 353.378 2.682 20 30 FFEDMM C=C(C)C[C@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000910285452 981886779 /nfs/dbraw/zinc/88/67/79/981886779.db2.gz AFWFFMGEEFGASY-APWZRJJASA-N -1 1 358.482 2.865 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N=C3C[C@H](C)ON3)c2)c1 ZINC000765377515 985056222 /nfs/dbraw/zinc/05/62/22/985056222.db2.gz TZYCJXZSOKGNCG-ZDUSSCGKSA-N -1 1 373.434 2.648 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](O)c2ccccc2)o1 ZINC000808342195 994093435 /nfs/dbraw/zinc/09/34/35/994093435.db2.gz KARIXVBIDSDDAS-RBUKOAKNSA-N -1 1 368.414 2.904 20 30 FFEDMM C#Cc1ccccc1CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000811527953 995165824 /nfs/dbraw/zinc/16/58/24/995165824.db2.gz DQOWJZAENMYIEP-DCGLDWPTSA-N -1 1 366.383 2.514 20 30 FFEDMM COc1cc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1C#N ZINC001599415874 997508079 /nfs/dbraw/zinc/50/80/79/997508079.db2.gz IKYISSUQOAYWME-GOSISDBHSA-N -1 1 355.350 2.565 20 30 FFEDMM CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc2cc(OC)ccc2c1 ZINC000731155300 997717990 /nfs/dbraw/zinc/71/79/90/997717990.db2.gz XDWJBHJCNCBVTA-UHFFFAOYSA-N -1 1 362.393 2.820 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599349974 998076240 /nfs/dbraw/zinc/07/62/40/998076240.db2.gz OZQBSIJHXZTHRP-UHFFFAOYSA-N -1 1 371.374 2.547 20 30 FFEDMM N#CCOc1ccc(CC(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000732367691 998635290 /nfs/dbraw/zinc/63/52/90/998635290.db2.gz XCTBUYQHRZSPHV-UHFFFAOYSA-N -1 1 365.341 2.687 20 30 FFEDMM Cc1cc(F)ccc1-c1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)o1 ZINC000734299762 999260299 /nfs/dbraw/zinc/26/02/99/999260299.db2.gz UDRPOCVCYQIOKB-UHFFFAOYSA-N -1 1 352.329 2.586 20 30 FFEDMM O=c1cn[n-]c(=S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000766474509 999996405 /nfs/dbraw/zinc/99/64/05/999996405.db2.gz NHWHFTDCMVQMCY-UHFFFAOYSA-N -1 1 374.429 2.662 20 30 FFEDMM Cc1cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)c(C)n1Cc1ccco1 ZINC000769818134 1000598546 /nfs/dbraw/zinc/59/85/46/1000598546.db2.gz QHGBSARWJOBZBI-UHFFFAOYSA-N -1 1 365.397 2.575 20 30 FFEDMM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3csnn3)c(C#N)c21 ZINC001146811643 1000759699 /nfs/dbraw/zinc/75/96/99/1000759699.db2.gz ZVKLDKXAUVCFNZ-MRVPVSSYSA-N -1 1 362.436 2.707 20 30 FFEDMM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000785615911 1001462438 /nfs/dbraw/zinc/46/24/38/1001462438.db2.gz NXKOKVAEISWLQN-CHWSQXEVSA-N -1 1 359.426 2.639 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000785638194 1001465449 /nfs/dbraw/zinc/46/54/49/1001465449.db2.gz QUUYXHKCETXGCU-HNNXBMFYSA-N -1 1 359.426 2.783 20 30 FFEDMM CC(=O)[C@H](C)CC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001184334853 1002573228 /nfs/dbraw/zinc/57/32/28/1002573228.db2.gz OMZADICAYWQRLL-SVXRXWARSA-N -1 1 358.423 2.775 20 30 FFEDMM Cc1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2C#N)cc1C(=O)[O-] ZINC001184698929 1002687356 /nfs/dbraw/zinc/68/73/56/1002687356.db2.gz LKWYCCUZCNICPN-UHFFFAOYSA-N -1 1 352.318 2.644 20 30 FFEDMM CCOC(=O)CS(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001195976104 1003622284 /nfs/dbraw/zinc/62/22/84/1003622284.db2.gz KXEINRARHANGBA-UHFFFAOYSA-N -1 1 360.391 2.655 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCNCC(F)(F)C3)c2)c1 ZINC001196309496 1003731092 /nfs/dbraw/zinc/73/10/92/1003731092.db2.gz XUHZYMWEGSFWRM-UHFFFAOYSA-N -1 1 357.360 2.612 20 30 FFEDMM C=CC[C@@](C)(NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1)C(=O)OC ZINC001191517326 1003863056 /nfs/dbraw/zinc/86/30/56/1003863056.db2.gz FLKQIRDGZKAZCE-OAQYLSRUSA-N -1 1 367.401 2.861 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)c1 ZINC000804878260 1003884318 /nfs/dbraw/zinc/88/43/18/1003884318.db2.gz TWTBYMFXRWOZMZ-KRWDZBQOSA-N -1 1 371.437 2.927 20 30 FFEDMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2C)cc1 ZINC001191619750 1003893351 /nfs/dbraw/zinc/89/33/51/1003893351.db2.gz XPOKGSVYWGGNFR-UHFFFAOYSA-N -1 1 363.826 2.681 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC001197110435 1004088210 /nfs/dbraw/zinc/08/82/10/1004088210.db2.gz RDAXKFWDMRMIJJ-MDZDMXLPSA-N -1 1 356.403 2.740 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1[C@H]1Cc3ccccc3CN1CC2 ZINC001193151277 1004391375 /nfs/dbraw/zinc/39/13/75/1004391375.db2.gz PINJVVCRDSIZPG-AUUYWEPGSA-N -1 1 367.474 2.996 20 30 FFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2noc3ccccc23)cc1C#N ZINC001194094454 1004658555 /nfs/dbraw/zinc/65/85/55/1004658555.db2.gz AKZUOLVKRKQKKD-UHFFFAOYSA-N -1 1 370.390 2.600 20 30 FFEDMM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000776343225 1005375641 /nfs/dbraw/zinc/37/56/41/1005375641.db2.gz OPBYYAFXFVGXAP-UHFFFAOYSA-N -1 1 359.426 2.641 20 30 FFEDMM C=CCc1cc(OC)ccc1OC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000109044267 1005780619 /nfs/dbraw/zinc/78/06/19/1005780619.db2.gz LUZZYPAJEJKKQE-UHFFFAOYSA-N -1 1 367.405 2.525 20 30 FFEDMM C=C[C@@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852199001 1005950109 /nfs/dbraw/zinc/95/01/09/1005950109.db2.gz DYWMBYGDAWQLCZ-BPLDGKMQSA-N -1 1 369.387 2.807 20 30 FFEDMM COCc1ccccc1/C=C(\C)C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000814217462 1006208383 /nfs/dbraw/zinc/20/83/83/1006208383.db2.gz IFOOJQAIBUXSAH-PETHBFQLSA-N -1 1 369.446 2.961 20 30 FFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000776639275 1006277736 /nfs/dbraw/zinc/27/77/36/1006277736.db2.gz XPJMDVJPBXDYLO-LBPRGKRZSA-N -1 1 351.362 2.711 20 30 FFEDMM C#CCC1(O)CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000882522988 1006421995 /nfs/dbraw/zinc/42/19/95/1006421995.db2.gz GZMRASKMDRFCQE-UHFFFAOYSA-N -1 1 374.437 2.730 20 30 FFEDMM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)[C@@H](C)CC ZINC001189842411 1007326860 /nfs/dbraw/zinc/32/68/60/1007326860.db2.gz FFDPXIAHRLLYPI-NHYWBVRUSA-N -1 1 361.410 2.528 20 30 FFEDMM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000855496554 1007373629 /nfs/dbraw/zinc/37/36/29/1007373629.db2.gz RNRDTDMFSMLHRP-UHFFFAOYSA-N -1 1 357.328 2.828 20 30 FFEDMM C=CCCO[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817492190 1007619950 /nfs/dbraw/zinc/61/99/50/1007619950.db2.gz HVWFKSQORRFIGR-TZMCWYRMSA-N -1 1 370.371 2.604 20 30 FFEDMM COC(=O)c1c(C)ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1F ZINC001190658298 1007721754 /nfs/dbraw/zinc/72/17/54/1007721754.db2.gz RYURUHBKGJFTMF-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC000857416768 1008141734 /nfs/dbraw/zinc/14/17/34/1008141734.db2.gz WMBMQWDVOJGTOG-YWZLYKJASA-N -1 1 371.437 2.783 20 30 FFEDMM C#C[C@H](CCC)NC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000820666661 1008358655 /nfs/dbraw/zinc/35/86/55/1008358655.db2.gz LTNISECMVLQCOB-KGLIPLIRSA-N -1 1 367.371 2.608 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)Nc2ccc(C#N)cc2[O-])C1 ZINC001179282110 1009311272 /nfs/dbraw/zinc/31/12/72/1009311272.db2.gz QHNMJMDBCYNTKE-BFUOFWGJSA-N -1 1 357.410 2.849 20 30 FFEDMM C=C[C@@H](CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000134738388 1009488601 /nfs/dbraw/zinc/48/86/01/1009488601.db2.gz YWHVKAHERONLEB-HNNXBMFYSA-N -1 1 350.422 2.616 20 30 FFEDMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCC#C[C@H]3CCCCO3)c2)o1 ZINC001180368130 1009670956 /nfs/dbraw/zinc/67/09/56/1009670956.db2.gz RQUUJWOZBCRDFV-OAHLLOKOSA-N -1 1 353.374 2.767 20 30 FFEDMM C#CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000862558044 1009881059 /nfs/dbraw/zinc/88/10/59/1009881059.db2.gz MTQJYEMNGJEHMA-INIZCTEOSA-N -1 1 368.458 2.973 20 30 FFEDMM CC1(C)C[C@@H]1C(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001181297738 1010058777 /nfs/dbraw/zinc/05/87/77/1010058777.db2.gz PIPUWVHPCJRTHW-MRVPVSSYSA-N -1 1 367.768 2.787 20 30 FFEDMM CC(=NNC1CCOCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863101015 1010107792 /nfs/dbraw/zinc/10/77/92/1010107792.db2.gz FEJNCKMJBZTWKF-UHFFFAOYSA-N -1 1 373.478 2.980 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)C=CC(=O)c2ccc(C)cc2)[n-]c1=O ZINC000889784930 1010113040 /nfs/dbraw/zinc/11/30/40/1010113040.db2.gz AGIFCWNUAFRZEH-FEAKQIBJSA-N -1 1 367.405 2.602 20 30 FFEDMM COC(=O)C[C@@H]1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)[C@H]1C ZINC000794510835 1010174523 /nfs/dbraw/zinc/17/45/23/1010174523.db2.gz XHHUILBBSHUCDJ-QWRGUYRKSA-N -1 1 374.445 2.664 20 30 FFEDMM COc1ccc([C@H](C)C(C)=NNc2nc(=O)c3cnn(C)c3[n-]2)cc1OC ZINC000794511868 1010190448 /nfs/dbraw/zinc/19/04/48/1010190448.db2.gz KSYRTRQAMSITEE-SNVBAGLBSA-N -1 1 370.413 2.678 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)cc1 ZINC000774050139 1010440167 /nfs/dbraw/zinc/44/01/67/1010440167.db2.gz 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/nfs/dbraw/zinc/99/89/63/1039998963.db2.gz WFSKXDNGIPOLLA-UHFFFAOYSA-N -1 1 354.334 2.969 20 30 FFEDMM COC(=O)c1csc(C)c1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260038436 1040370459 /nfs/dbraw/zinc/37/04/59/1040370459.db2.gz GMKDICWYJMLYCB-UHFFFAOYSA-N -1 1 350.421 2.657 20 30 FFEDMM COC(=O)c1c(C)scc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260038832 1040370939 /nfs/dbraw/zinc/37/09/39/1040370939.db2.gz ZYROEWPCWPECQJ-UHFFFAOYSA-N -1 1 350.421 2.657 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001262943001 1041978904 /nfs/dbraw/zinc/97/89/04/1041978904.db2.gz DFQXGNLOQYFBDX-TXEJJXNPSA-N -1 1 372.498 2.834 20 30 FFEDMM C#CC1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2ccccc2)CC1 ZINC001263163818 1042142870 /nfs/dbraw/zinc/14/28/70/1042142870.db2.gz AZYUIKDALIMAPU-UHFFFAOYSA-N -1 1 367.844 2.615 20 30 FFEDMM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001263289703 1042223504 /nfs/dbraw/zinc/22/35/04/1042223504.db2.gz NWQXWWZZGKLYAS-INIZCTEOSA-N -1 1 373.416 2.794 20 30 FFEDMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001319038339 1044997543 /nfs/dbraw/zinc/99/75/43/1044997543.db2.gz QDCBPALNLSQAPR-UHFFFAOYSA-N -1 1 367.434 2.832 20 30 FFEDMM COc1cccc(N2CCC(NC(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC001324393048 1046003274 /nfs/dbraw/zinc/00/32/74/1046003274.db2.gz GBQCQJRDRXRGDS-UHFFFAOYSA-N -1 1 351.406 2.671 20 30 FFEDMM C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001282807737 1046241317 /nfs/dbraw/zinc/24/13/17/1046241317.db2.gz GAGJOILTKYLEFC-SIFCLUCFSA-N -1 1 357.454 2.500 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C(F)(F)F)c(F)c1 ZINC001326082356 1046756942 /nfs/dbraw/zinc/75/69/42/1046756942.db2.gz LNQMKQGQGREKMT-UHFFFAOYSA-N -1 1 372.299 2.723 20 30 FFEDMM C=C(C)CN(CC)c1nnc(-c2cc(Cl)ncc2[O-])n1CCOC ZINC001342107275 1050700975 /nfs/dbraw/zinc/70/09/75/1050700975.db2.gz DKTLTLVYDYGTLD-UHFFFAOYSA-N -1 1 351.838 2.748 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1Cc2ccc(C(C)=O)cc2C1 ZINC001342186129 1050777689 /nfs/dbraw/zinc/77/76/89/1050777689.db2.gz PMELERBJZNLDEG-UHFFFAOYSA-N -1 1 364.409 2.673 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001342186542 1050778307 /nfs/dbraw/zinc/77/83/07/1050778307.db2.gz VRDADOLJEATXFV-GJZGRUSLSA-N -1 1 372.473 2.593 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001340602177 1050986108 /nfs/dbraw/zinc/98/61/08/1050986108.db2.gz ZFOHISKGRDYZBK-NWDGAFQWSA-N -1 1 363.849 2.889 20 30 FFEDMM N#CC(=C([O-])c1ccc2c(c1)C(=O)NCCO2)c1nc(C2CC2)cs1 ZINC001344966420 1052171443 /nfs/dbraw/zinc/17/14/43/1052171443.db2.gz PVNHPZHLVWFSQQ-ZDUSSCGKSA-N -1 1 353.403 2.633 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1CC1CCCC1 ZINC001343472653 1052253125 /nfs/dbraw/zinc/25/31/25/1052253125.db2.gz JSBFEDVFSZLTGG-OAHLLOKOSA-N -1 1 356.478 2.507 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1CC1CCCC1 ZINC001343472653 1052253132 /nfs/dbraw/zinc/25/31/32/1052253132.db2.gz JSBFEDVFSZLTGG-OAHLLOKOSA-N -1 1 356.478 2.507 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2ccc(C)cc2C1 ZINC001343668935 1052365406 /nfs/dbraw/zinc/36/54/06/1052365406.db2.gz MQKRSBXSVKULES-UHFFFAOYSA-N -1 1 350.426 2.821 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001346578729 1053123816 /nfs/dbraw/zinc/12/38/16/1053123816.db2.gz IMNJNKKZJALBOB-SXGZJXTBSA-N -1 1 359.470 2.604 20 30 FFEDMM C=CCC[C@H]1CCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001336238998 1053862147 /nfs/dbraw/zinc/86/21/47/1053862147.db2.gz SGGMIQMZFSARRC-INIZCTEOSA-N -1 1 352.438 2.640 20 30 FFEDMM Cc1ccc(O)c2c1[C@H](C)CC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC001337299037 1054633714 /nfs/dbraw/zinc/63/37/14/1054633714.db2.gz YPJVXTCSRABKPJ-LLVKDONJSA-N -1 1 355.419 2.651 20 30 FFEDMM CCOc1ccc(C#N)cc1NC(=O)c1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001543753917 1071540855 /nfs/dbraw/zinc/54/08/55/1071540855.db2.gz ZTAGDYJMQDFGJF-UHFFFAOYSA-N -1 1 356.382 2.888 20 30 FFEDMM N#C[C@@H](C(=O)[C@@]1(F)CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC001357714935 1055990513 /nfs/dbraw/zinc/99/05/13/1055990513.db2.gz RVEAASICHMKRDU-DYZYQPBXSA-N -1 1 361.398 2.581 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)Cc1cscn1 ZINC001520271986 1059558957 /nfs/dbraw/zinc/55/89/57/1059558957.db2.gz MSOVVOYUBNBBKY-UHFFFAOYSA-N -1 1 369.454 2.597 20 30 FFEDMM Cn1ncc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)c1-n1cccc1 ZINC001516659591 1060179737 /nfs/dbraw/zinc/17/97/37/1060179737.db2.gz UPGYLVCVDMVOSH-KRWDZBQOSA-N -1 1 370.416 2.946 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccccc1CN1CCSCC1 ZINC001464566285 1062688593 /nfs/dbraw/zinc/68/85/93/1062688593.db2.gz RPQAZTCEOYMWPG-UHFFFAOYSA-N -1 1 368.462 2.768 20 30 FFEDMM CC(C)(C)OCc1cc(C(=O)[N-]c2ncc3c(c2C#N)COCC3)no1 ZINC001525913763 1063459574 /nfs/dbraw/zinc/45/95/74/1063459574.db2.gz NGUJYHODVZMVRE-UHFFFAOYSA-N -1 1 356.382 2.581 20 30 FFEDMM N#Cc1ccc(N(C(=O)c2ccc(-c3nnn[n-]3)s2)C2CCC2)cc1 ZINC001581871059 1079010767 /nfs/dbraw/zinc/01/07/67/1079010767.db2.gz FDLBLDMKOADQBD-UHFFFAOYSA-N -1 1 350.407 2.999 20 30 FFEDMM N#Cc1ccc(N(C(=O)c2ccc(-c3nn[n-]n3)s2)C2CCC2)cc1 ZINC001581871059 1079010781 /nfs/dbraw/zinc/01/07/81/1079010781.db2.gz FDLBLDMKOADQBD-UHFFFAOYSA-N -1 1 350.407 2.999 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=[S@](C)(=O)c2ccc(C)cc2)cc1C#N ZINC001585460370 1079465422 /nfs/dbraw/zinc/46/54/22/1079465422.db2.gz RMGPNVLGASZYOT-XMMPIXPASA-N -1 1 361.448 2.986 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)c2[nH]c3ccccc3c2C#N)[n-]c1=O ZINC001558703594 1076060122 /nfs/dbraw/zinc/06/01/22/1076060122.db2.gz UEEAWEGLCKWMAW-CQSZACIVSA-N -1 1 363.377 2.521 20 30 FFEDMM COc1cc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)sn1 ZINC001561601090 1076397047 /nfs/dbraw/zinc/39/70/47/1076397047.db2.gz CYEHIEXPUVYSFR-ZDUSSCGKSA-N -1 1 351.453 2.865 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)(C)C ZINC001561617803 1076399066 /nfs/dbraw/zinc/39/90/66/1076399066.db2.gz XZYBDZPGUCJIPR-ZDUSSCGKSA-N -1 1 373.247 2.786 20 30 FFEDMM N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc([O-])cn3)ccc21 ZINC001567655656 1077042810 /nfs/dbraw/zinc/04/28/10/1077042810.db2.gz ZAVNIGLMQWQZKT-UHFFFAOYSA-N -1 1 350.378 2.622 20 30 FFEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC001587496566 1079800221 /nfs/dbraw/zinc/80/02/21/1079800221.db2.gz MKWRXNCJSQDNPT-IBGZPJMESA-N -1 1 372.428 2.963 20 30 FFEDMM C#Cc1ccc([C@@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC001588373199 1079996359 /nfs/dbraw/zinc/99/63/59/1079996359.db2.gz DRBPVMHBLKGODH-CYBMUJFWSA-N -1 1 362.267 2.901 20 30 FFEDMM C#Cc1ccc([C@@H](OC(=O)c2coc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC001588373199 1079996364 /nfs/dbraw/zinc/99/63/64/1079996364.db2.gz DRBPVMHBLKGODH-CYBMUJFWSA-N -1 1 362.267 2.901 20 30 FFEDMM C=CC[C@@H]1CCCN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2CC)C1 ZINC001588560456 1080098019 /nfs/dbraw/zinc/09/80/19/1080098019.db2.gz QVZJBYBXUCNJEP-GFCCVEGCSA-N -1 1 354.418 2.531 20 30 FFEDMM C=CC[C@@H]1CCCN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2CC)C1 ZINC001588560456 1080098029 /nfs/dbraw/zinc/09/80/29/1080098029.db2.gz QVZJBYBXUCNJEP-GFCCVEGCSA-N -1 1 354.418 2.531 20 30 FFEDMM C=CCCCC(=O)N(CC)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588582056 1080107433 /nfs/dbraw/zinc/10/74/33/1080107433.db2.gz GFLQOOVLZBDOBE-UHFFFAOYSA-N -1 1 369.882 2.593 20 30 FFEDMM C=CCCCC(=O)N(CC)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588582056 1080107438 /nfs/dbraw/zinc/10/74/38/1080107438.db2.gz GFLQOOVLZBDOBE-UHFFFAOYSA-N -1 1 369.882 2.593 20 30 FFEDMM C=CCCCN(CC)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588601444 1080120250 /nfs/dbraw/zinc/12/02/50/1080120250.db2.gz MBDZNWIKCLLRSM-UHFFFAOYSA-N -1 1 354.336 2.709 20 30 FFEDMM C=CCCn1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)nn1 ZINC001588620764 1080124258 /nfs/dbraw/zinc/12/42/58/1080124258.db2.gz GMSZKBLAZVIPGY-UHFFFAOYSA-N -1 1 372.458 2.646 20 30 FFEDMM C=CCCn1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)nn1 ZINC001588620764 1080124263 /nfs/dbraw/zinc/12/42/63/1080124263.db2.gz GMSZKBLAZVIPGY-UHFFFAOYSA-N -1 1 372.458 2.646 20 30 FFEDMM C=CCc1cc(CNc2cccnc2-c2nnn[n-]2)cc(OC)c1OC ZINC001588694416 1080159014 /nfs/dbraw/zinc/15/90/14/1080159014.db2.gz JLNWZUHRXGGDBO-UHFFFAOYSA-N -1 1 352.398 2.620 20 30 FFEDMM C=CCc1cc(CNc2cccnc2-c2nn[n-]n2)cc(OC)c1OC ZINC001588694416 1080159016 /nfs/dbraw/zinc/15/90/16/1080159016.db2.gz JLNWZUHRXGGDBO-UHFFFAOYSA-N -1 1 352.398 2.620 20 30 FFEDMM C=CCc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588694168 1080159892 /nfs/dbraw/zinc/15/98/92/1080159892.db2.gz DQBVEBUBJLTRMW-UHFFFAOYSA-N -1 1 360.370 2.502 20 30 FFEDMM C=CCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@H]3C(=O)[O-])n[nH]2)c1C ZINC001588912401 1080259319 /nfs/dbraw/zinc/25/93/19/1080259319.db2.gz ITTYDFUFWQPUOI-INIZCTEOSA-N -1 1 371.441 2.545 20 30 FFEDMM CC(C)(CNc1cnc(-c2nnn[n-]2)c(C#N)n1)Cc1cccc(Cl)c1 ZINC001589293012 1080467629 /nfs/dbraw/zinc/46/76/29/1080467629.db2.gz MPKMPWZPSKNDTL-UHFFFAOYSA-N -1 1 368.832 2.863 20 30 FFEDMM CC(C)(CNc1cnc(-c2nn[n-]n2)c(C#N)n1)Cc1cccc(Cl)c1 ZINC001589293012 1080467632 /nfs/dbraw/zinc/46/76/32/1080467632.db2.gz MPKMPWZPSKNDTL-UHFFFAOYSA-N -1 1 368.832 2.863 20 30 FFEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589701730 1080677832 /nfs/dbraw/zinc/67/78/32/1080677832.db2.gz XBGJVVZULIEPIX-UHFFFAOYSA-N -1 1 362.397 2.576 20 30 FFEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589701730 1080677838 /nfs/dbraw/zinc/67/78/38/1080677838.db2.gz XBGJVVZULIEPIX-UHFFFAOYSA-N -1 1 362.397 2.576 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(C(C)(C)C)nc2)o1 ZINC001589773890 1080728237 /nfs/dbraw/zinc/72/82/37/1080728237.db2.gz QARLTCAZLZSXEZ-UHFFFAOYSA-N -1 1 355.406 2.512 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCCCc2ccc3c(c2)CCO3)o1 ZINC001589773808 1080728753 /nfs/dbraw/zinc/72/87/53/1080728753.db2.gz NQWBINASQRSYRE-UHFFFAOYSA-N -1 1 367.413 2.944 20 30 FFEDMM C[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@@H](c2ccccc2)C1 ZINC001590209942 1081094932 /nfs/dbraw/zinc/09/49/32/1081094932.db2.gz QWAZSVJYZICBKP-AEGPPILISA-N -1 1 360.425 2.913 20 30 FFEDMM N#Cc1csc(CN[C@@H](Cc2ccccc2Br)C(=O)[O-])n1 ZINC001601132168 1126222180 /nfs/dbraw/zinc/22/21/80/1126222180.db2.gz JNAGRCHZCZWWNY-LBPRGKRZSA-N -1 1 366.240 2.563 20 30 FFEDMM CC1CCN(c2nc([O-])c(CC(=O)Nc3ccc(C#N)cc3)s2)CC1 ZINC000102936411 250128592 /nfs/dbraw/zinc/12/85/92/250128592.db2.gz JAJXDEZOZDFXBV-OAHLLOKOSA-N -1 1 356.451 2.617 20 30 FFEDMM N#Cc1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000290255169 257322447 /nfs/dbraw/zinc/32/24/47/257322447.db2.gz UPKMVVONMXWTEZ-SNVBAGLBSA-N -1 1 372.322 2.620 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000291026924 257374808 /nfs/dbraw/zinc/37/48/08/257374808.db2.gz YIGLDRPCTRTNOL-UHFFFAOYSA-N -1 1 356.451 2.740 20 30 FFEDMM N#Cc1ccc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)nn1 ZINC000301952489 258077507 /nfs/dbraw/zinc/07/75/07/258077507.db2.gz CDTBRTZXQIPJCA-UHFFFAOYSA-N -1 1 365.418 2.761 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366703559 512149189 /nfs/dbraw/zinc/14/91/89/512149189.db2.gz PYHCKFZSXZBTAX-YLJYHZDGSA-N -1 1 372.465 2.978 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000373084894 512165687 /nfs/dbraw/zinc/16/56/87/512165687.db2.gz WDJVHVHYTHIOEK-INIZCTEOSA-N -1 1 365.437 2.636 20 30 FFEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000055188532 506695753 /nfs/dbraw/zinc/69/57/53/506695753.db2.gz QXPHIKDSDUSLKH-UHFFFAOYSA-N -1 1 368.393 2.910 20 30 FFEDMM CC(C)n1c(CNC(=O)C=Cc2ccc(OCC#N)cc2)n[n-]c1=S ZINC000067071901 506746084 /nfs/dbraw/zinc/74/60/84/506746084.db2.gz MECILQLTWNNDTM-VMPITWQZSA-N -1 1 357.439 2.754 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000044857812 506893367 /nfs/dbraw/zinc/89/33/67/506893367.db2.gz OTUZWJBRCNYVRT-KRWDZBQOSA-N -1 1 358.419 2.917 20 30 FFEDMM O=C(CCCNC(=O)NC1CCCCC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389791 507776343 /nfs/dbraw/zinc/77/63/43/507776343.db2.gz OULRRIPUKMXSTH-UHFFFAOYSA-N -1 1 362.356 2.824 20 30 FFEDMM C[C@H](CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)Cc1ccc(Cl)cc1 ZINC000089438567 507837955 /nfs/dbraw/zinc/83/79/55/507837955.db2.gz SKPIMJPXWHVAEJ-VIFPVBQESA-N -1 1 356.835 2.719 20 30 FFEDMM C[C@H](CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)Cc1ccc(Cl)cc1 ZINC000089438567 507837956 /nfs/dbraw/zinc/83/79/56/507837956.db2.gz SKPIMJPXWHVAEJ-VIFPVBQESA-N -1 1 356.835 2.719 20 30 FFEDMM CC[C@@H](C#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094079850 508166882 /nfs/dbraw/zinc/16/68/82/508166882.db2.gz SRNLOTFZJPVZGL-ZDUSSCGKSA-N -1 1 359.332 2.955 20 30 FFEDMM C=C(Cl)CNC(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000077018167 508274363 /nfs/dbraw/zinc/27/43/63/508274363.db2.gz SIGSOCUYCMWKLQ-UHFFFAOYSA-N -1 1 352.847 2.875 20 30 FFEDMM N#C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000114311239 508303654 /nfs/dbraw/zinc/30/36/54/508303654.db2.gz UGDQERRXQHELKF-INIZCTEOSA-N -1 1 355.825 2.896 20 30 FFEDMM C#CCOc1ccc(F)cc1NC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000085603609 508313634 /nfs/dbraw/zinc/31/36/34/508313634.db2.gz YJHSWUOFQFWTJI-UHFFFAOYSA-N -1 1 363.418 2.994 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c([N+](=O)[O-])c1 ZINC000123715924 508729034 /nfs/dbraw/zinc/72/90/34/508729034.db2.gz MNEAQKOVVKUYQH-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000130464793 508821047 /nfs/dbraw/zinc/82/10/47/508821047.db2.gz ONRIFQBMRVANOW-UHFFFAOYSA-N -1 1 370.352 2.821 20 30 FFEDMM N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155275578 508963792 /nfs/dbraw/zinc/96/37/92/508963792.db2.gz QDRKUVHUIKEAFE-HNNXBMFYSA-N -1 1 374.404 2.883 20 30 FFEDMM Cn1cnc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)n1 ZINC000185639702 509280247 /nfs/dbraw/zinc/28/02/47/509280247.db2.gz NXHRUWJLNCXMAL-UHFFFAOYSA-N -1 1 373.825 2.808 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1[O-] ZINC000189168863 509446727 /nfs/dbraw/zinc/44/67/27/509446727.db2.gz AAEVGWDPFLOQNX-HNNXBMFYSA-N -1 1 373.771 2.592 20 30 FFEDMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1Oc1ccccc1 ZINC000189223772 509470593 /nfs/dbraw/zinc/47/05/93/509470593.db2.gz YCBUXSBEJHXPCN-QRQLOZEOSA-N -1 1 352.390 2.619 20 30 FFEDMM CCC[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nn[n-]n1 ZINC000176751528 509672239 /nfs/dbraw/zinc/67/22/39/509672239.db2.gz IYGIOHWKZFBAJQ-CQSZACIVSA-N -1 1 366.381 2.515 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C)C(=O)N2 ZINC000187064413 510035888 /nfs/dbraw/zinc/03/58/88/510035888.db2.gz QJCBVKPCGGEIPC-UHFFFAOYSA-N -1 1 356.407 2.645 20 30 FFEDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1cccc(C)c1C ZINC000185370256 510825645 /nfs/dbraw/zinc/82/56/45/510825645.db2.gz YJEYRGPGHNSBLM-SFHVURJKSA-N -1 1 372.446 2.758 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1nc(C(C)(C)C)no1 ZINC000331049671 511039498 /nfs/dbraw/zinc/03/94/98/511039498.db2.gz HPYPKROCCKVFDM-LBPRGKRZSA-N -1 1 354.476 2.822 20 30 FFEDMM N#CC1(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CCC1 ZINC000271255148 511139065 /nfs/dbraw/zinc/13/90/65/511139065.db2.gz LIMFWDKZNXIOHR-UHFFFAOYSA-N -1 1 357.288 2.679 20 30 FFEDMM C[C@H](CCCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000292409197 511586624 /nfs/dbraw/zinc/58/66/24/511586624.db2.gz UFWVEDYCJWXVDZ-GFCCVEGCSA-N -1 1 371.459 2.513 20 30 FFEDMM COc1ccc(C(=O)N2CCCC2)cc1/N=C/c1ccc(O)c([O-])c1O ZINC000299339356 511598294 /nfs/dbraw/zinc/59/82/94/511598294.db2.gz LTWNKDPQZOWACA-RGVLZGJSSA-N -1 1 356.378 2.799 20 30 FFEDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000326157017 511854895 /nfs/dbraw/zinc/85/48/95/511854895.db2.gz ZCIAXECRVUNTBY-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000328416494 511888357 /nfs/dbraw/zinc/88/83/57/511888357.db2.gz RJQPSUANLCCIRT-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(Cl)cc3)C2)o1 ZINC000367743663 512643508 /nfs/dbraw/zinc/64/35/08/512643508.db2.gz AHDHOPFCWHISTM-GFCCVEGCSA-N -1 1 365.842 2.609 20 30 FFEDMM COCCc1nc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc2o1 ZINC000439867560 513200325 /nfs/dbraw/zinc/20/03/25/513200325.db2.gz BJDDGVLMZSEFNU-UHFFFAOYSA-N -1 1 371.418 2.998 20 30 FFEDMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2o1 ZINC000439872771 513201821 /nfs/dbraw/zinc/20/18/21/513201821.db2.gz LMPGCGRNGYPAHT-UHFFFAOYSA-N -1 1 357.391 2.689 20 30 FFEDMM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)n1 ZINC000426002909 513822937 /nfs/dbraw/zinc/82/29/37/513822937.db2.gz IECLDAICOOJAKO-UHFFFAOYSA-N -1 1 367.434 2.616 20 30 FFEDMM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000416635932 513879377 /nfs/dbraw/zinc/87/93/77/513879377.db2.gz QVQHDDSKAOUSQD-ZDUSSCGKSA-N -1 1 373.400 2.905 20 30 FFEDMM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000443279103 513917697 /nfs/dbraw/zinc/91/76/97/513917697.db2.gz XQKIOWHLXBLOFQ-GFCCVEGCSA-N -1 1 358.398 2.653 20 30 FFEDMM COc1ccc([C@H](C#N)N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000436755573 513968386 /nfs/dbraw/zinc/96/83/86/513968386.db2.gz OHDZTJNUVSOBTF-SFHVURJKSA-N -1 1 369.396 2.563 20 30 FFEDMM COC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000451808677 513994145 /nfs/dbraw/zinc/99/41/45/513994145.db2.gz KMFFWNNNXKTPTJ-LBPRGKRZSA-N -1 1 354.815 2.513 20 30 FFEDMM C[C@H](C#N)CN(C(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000436939842 514043566 /nfs/dbraw/zinc/04/35/66/514043566.db2.gz ROLRABDUOHOQMP-SECBINFHSA-N -1 1 370.190 2.761 20 30 FFEDMM C=CCC1(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCCC1 ZINC000451957168 514093623 /nfs/dbraw/zinc/09/36/23/514093623.db2.gz IQRSENOXLPXPIF-UHFFFAOYSA-N -1 1 351.394 2.854 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427132163 514125342 /nfs/dbraw/zinc/12/53/42/514125342.db2.gz ZSGWQDDNKKAQOJ-UHFFFAOYSA-N -1 1 374.397 2.806 20 30 FFEDMM C=C[C@@H](CCC(=O)[O-])NCc1c(Br)cc(OC)cc1OC ZINC000417622599 514440786 /nfs/dbraw/zinc/44/07/86/514440786.db2.gz HQBFHBKXAMNKTN-JTQLQIEISA-N -1 1 358.232 2.975 20 30 FFEDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000507940766 514619149 /nfs/dbraw/zinc/61/91/49/514619149.db2.gz VIFDWABDTXRTAB-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM C=C[C@H](CC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])c1ccccc1 ZINC000461455698 514622497 /nfs/dbraw/zinc/62/24/97/514622497.db2.gz FCLACBOECPBKTR-CYBMUJFWSA-N -1 1 360.435 2.599 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000507965603 514626086 /nfs/dbraw/zinc/62/60/86/514626086.db2.gz BVMJYOZFMZKZFE-UHFFFAOYSA-N -1 1 358.423 2.668 20 30 FFEDMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000484539560 514679278 /nfs/dbraw/zinc/67/92/78/514679278.db2.gz LZIPQHBXNBXILO-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)cn1 ZINC000479882365 514757525 /nfs/dbraw/zinc/75/75/25/514757525.db2.gz DNANYKVNCOJSCJ-HNNXBMFYSA-N -1 1 369.368 2.795 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cccc1NC(=O)N(C)C ZINC000475838507 514830092 /nfs/dbraw/zinc/83/00/92/514830092.db2.gz XGQKNMGMTCGUNJ-UHFFFAOYSA-N -1 1 358.423 2.761 20 30 FFEDMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc2[nH]1 ZINC000475837931 514831296 /nfs/dbraw/zinc/83/12/96/514831296.db2.gz UZLBNSGYWUXZHH-UHFFFAOYSA-N -1 1 368.418 2.508 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)c1 ZINC000499262064 515259271 /nfs/dbraw/zinc/25/92/71/515259271.db2.gz FXESTUBBJHZDRN-UHFFFAOYSA-N -1 1 370.434 2.588 20 30 FFEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509977392 515387752 /nfs/dbraw/zinc/38/77/52/515387752.db2.gz SISPWUQCXSDTGT-SECBINFHSA-N -1 1 365.238 2.751 20 30 FFEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000494311596 515805146 /nfs/dbraw/zinc/80/51/46/515805146.db2.gz WPBQKXIRPQZMKC-UHFFFAOYSA-N -1 1 369.487 2.758 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000548193653 516818700 /nfs/dbraw/zinc/81/87/00/516818700.db2.gz DWJNRDLKOPOCLH-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc(Cc2ccccc2)no1 ZINC000544724988 516896499 /nfs/dbraw/zinc/89/64/99/516896499.db2.gz ANQFUFSUTOQIAD-CQSZACIVSA-N -1 1 374.466 2.725 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c(Cl)c1 ZINC000545147104 517070222 /nfs/dbraw/zinc/07/02/22/517070222.db2.gz JCTQUTSWCCSREF-UHFFFAOYSA-N -1 1 366.830 2.630 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCC#N)c2)cc1 ZINC000542380779 517529685 /nfs/dbraw/zinc/52/96/85/517529685.db2.gz WWDLXVQBIDPSNU-UHFFFAOYSA-N -1 1 373.434 2.530 20 30 FFEDMM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553839849 517929138 /nfs/dbraw/zinc/92/91/38/517929138.db2.gz XEFGRYFEIAJIPG-YJBOKZPZSA-N -1 1 360.435 2.906 20 30 FFEDMM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553895571 517957398 /nfs/dbraw/zinc/95/73/98/517957398.db2.gz PKKWCUYZWCUZTR-BHYGNILZSA-N -1 1 360.435 2.781 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F ZINC000547335428 518086584 /nfs/dbraw/zinc/08/65/84/518086584.db2.gz ZGKVXHCLWGIWET-LBPRGKRZSA-N -1 1 350.362 2.822 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000570349523 518562785 /nfs/dbraw/zinc/56/27/85/518562785.db2.gz YSZHKEBUCXCMFT-UHFFFAOYSA-N -1 1 355.666 2.746 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000589190066 518945475 /nfs/dbraw/zinc/94/54/75/518945475.db2.gz NKRKGTAKWQIAFJ-OAHLLOKOSA-N -1 1 363.417 2.546 20 30 FFEDMM CCOCCOc1cc(C)ccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189073 518946144 /nfs/dbraw/zinc/94/61/44/518946144.db2.gz AXWSHHPPMDTWIO-UHFFFAOYSA-N -1 1 354.406 2.918 20 30 FFEDMM CCOC(=O)c1sc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)nc1C ZINC000589189379 518946457 /nfs/dbraw/zinc/94/64/57/518946457.db2.gz UCYCEAKSPVSRDP-SNVBAGLBSA-N -1 1 359.407 2.697 20 30 FFEDMM COc1cc(OC)c(C[C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)c(OC)c1 ZINC000590773729 519362184 /nfs/dbraw/zinc/36/21/84/519362184.db2.gz BPWKTRXVDYBELU-GFCCVEGCSA-N -1 1 370.405 2.651 20 30 FFEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3snc(C)c3C#N)c2)n1 ZINC000572317171 519552072 /nfs/dbraw/zinc/55/20/72/519552072.db2.gz PZZOGJCDPHRLQO-UHFFFAOYSA-N -1 1 368.422 2.897 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3Cl)C2)o1 ZINC000594802310 520164980 /nfs/dbraw/zinc/16/49/80/520164980.db2.gz MYJDJLYJOBQHLZ-GFCCVEGCSA-N -1 1 365.842 2.609 20 30 FFEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(Br)c1)C(C)C ZINC000592384292 520361035 /nfs/dbraw/zinc/36/10/35/520361035.db2.gz OITIFKOJGFOGGS-ZDUSSCGKSA-N -1 1 361.261 2.733 20 30 FFEDMM Cc1nc(NC(=O)c2csc(=NC3CC3)[n-]2)sc1SCC#N ZINC000610115758 520547270 /nfs/dbraw/zinc/54/72/70/520547270.db2.gz NPCDVHOFUJPSEL-UHFFFAOYSA-N -1 1 351.482 2.772 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)NC2CC2)cc1 ZINC000610123263 520548411 /nfs/dbraw/zinc/54/84/11/520548411.db2.gz RSSBWXZUSNSZSL-UHFFFAOYSA-N -1 1 370.434 2.951 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1(C#N)CCCCC1 ZINC000598307170 520549280 /nfs/dbraw/zinc/54/92/80/520549280.db2.gz IYQUOUMCBDETQS-UHFFFAOYSA-N -1 1 365.437 2.685 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)CCCCC1 ZINC000613914071 520726237 /nfs/dbraw/zinc/72/62/37/520726237.db2.gz UEESZLAJKZETDK-UHFFFAOYSA-N -1 1 366.468 2.692 20 30 FFEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000614298420 520896856 /nfs/dbraw/zinc/89/68/56/520896856.db2.gz WKIBYRCNJRVNJU-UHFFFAOYSA-N -1 1 352.390 2.743 20 30 FFEDMM CC(C)NC(=O)Nc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614296921 520897095 /nfs/dbraw/zinc/89/70/95/520897095.db2.gz YMFZZTPQCNLEAF-UHFFFAOYSA-N -1 1 352.394 2.724 20 30 FFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1ccn(C2CCSCC2)[nH]1 ZINC000601719728 520917848 /nfs/dbraw/zinc/91/78/48/520917848.db2.gz RLVJUNDQZVVRLF-INIZCTEOSA-N -1 1 365.462 2.566 20 30 FFEDMM N#CCc1ccnc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000618602731 521140399 /nfs/dbraw/zinc/14/03/99/521140399.db2.gz JZPYYEBDPXGDNB-UHFFFAOYSA-N -1 1 371.340 2.988 20 30 FFEDMM C=C(C)Cn1c(SCC(=O)Nc2c(C)[n-][nH]c2=O)nnc1-c1ccco1 ZINC000615223095 521319049 /nfs/dbraw/zinc/31/90/49/521319049.db2.gz YOGQWSSRNRSRSG-UHFFFAOYSA-N -1 1 374.426 2.582 20 30 FFEDMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463074 521580408 /nfs/dbraw/zinc/58/04/08/521580408.db2.gz ZEXPHCPGRSJEHS-QHCPKHFHSA-N -1 1 362.476 2.740 20 30 FFEDMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463073 521581580 /nfs/dbraw/zinc/58/15/80/521581580.db2.gz ZEXPHCPGRSJEHS-HSZRJFAPSA-N -1 1 362.476 2.740 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1NC(=O)N(C)C ZINC000619464137 521583041 /nfs/dbraw/zinc/58/30/41/521583041.db2.gz WXRZOXDXAVCEHA-UHFFFAOYSA-N -1 1 372.450 2.955 20 30 FFEDMM CC(C)[C@H](C#N)N1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000619790086 521874349 /nfs/dbraw/zinc/87/43/49/521874349.db2.gz XPDYBUZUOQZOCJ-INIZCTEOSA-N -1 1 372.856 2.900 20 30 FFEDMM C=CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1OC ZINC000630462237 522863603 /nfs/dbraw/zinc/86/36/03/522863603.db2.gz RACAPYBHCDIGHC-OAHLLOKOSA-N -1 1 365.817 2.562 20 30 FFEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc(C#N)c(C)n3)c2)n1 ZINC000487758978 561375103 /nfs/dbraw/zinc/37/51/03/561375103.db2.gz DGBMUFHIIPRELY-UHFFFAOYSA-N -1 1 362.393 2.836 20 30 FFEDMM Cc1cc(=NC(=O)c2cnc3c(C)cc(F)cc3c2[O-])[nH]n1CCC#N ZINC000507687921 561738144 /nfs/dbraw/zinc/73/81/44/561738144.db2.gz NBVQLPNTHAHTMC-UHFFFAOYSA-N -1 1 353.357 2.647 20 30 FFEDMM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000512126482 561893385 /nfs/dbraw/zinc/89/33/85/561893385.db2.gz ANZUHSXVFUXSTB-UHFFFAOYSA-N -1 1 373.347 2.977 20 30 FFEDMM N#CC(=C([O-])c1cccc(-c2nn[nH]n2)c1)c1nc(-c2ccncc2)cs1 ZINC000737672491 598925403 /nfs/dbraw/zinc/92/54/03/598925403.db2.gz IIYNRRVSCOVODA-CQSZACIVSA-N -1 1 373.401 2.875 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cccc1-c1nn[nH]n1 ZINC000822123377 607255733 /nfs/dbraw/zinc/25/57/33/607255733.db2.gz ZHDLFFGUEKKBDN-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM Fc1cc(Br)ccc1NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822748106 599340012 /nfs/dbraw/zinc/34/00/12/599340012.db2.gz IDMVYIMAAWKOJV-UHFFFAOYSA-N -1 1 351.139 2.807 20 30 FFEDMM Fc1cc(Br)ccc1NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822748106 599340010 /nfs/dbraw/zinc/34/00/10/599340010.db2.gz IDMVYIMAAWKOJV-UHFFFAOYSA-N -1 1 351.139 2.807 20 30 FFEDMM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000739066790 599783391 /nfs/dbraw/zinc/78/33/91/599783391.db2.gz QUMWZLUINYMVPV-BEFAXECRSA-N -1 1 372.384 2.639 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000738364118 599948902 /nfs/dbraw/zinc/94/89/02/599948902.db2.gz OFMJOTCRHIZOPL-INIZCTEOSA-N -1 1 357.454 2.735 20 30 FFEDMM N#CC(C(=O)CCc1ccc(C(=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000739074942 600101201 /nfs/dbraw/zinc/10/12/01/600101201.db2.gz NRMYDBMCWZQHFS-HNNXBMFYSA-N -1 1 352.394 2.512 20 30 FFEDMM CCCNC(=O)c1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829519803 601300870 /nfs/dbraw/zinc/30/08/70/601300870.db2.gz UQULFFJRWZBQDY-SFHVURJKSA-N -1 1 351.406 2.614 20 30 FFEDMM N#Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000833074144 601310881 /nfs/dbraw/zinc/31/08/81/601310881.db2.gz PYQCNYBLBGWVNF-LJQANCHMSA-N -1 1 364.401 2.984 20 30 FFEDMM N#Cc1cccnc1Oc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826387343 607549429 /nfs/dbraw/zinc/54/94/29/607549429.db2.gz QLZYLWHYYWAVEJ-UHFFFAOYSA-N -1 1 370.376 2.933 20 30 FFEDMM N#Cc1cccnc1Oc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826387343 607549431 /nfs/dbraw/zinc/54/94/31/607549431.db2.gz QLZYLWHYYWAVEJ-UHFFFAOYSA-N -1 1 370.376 2.933 20 30 FFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000825966667 602224409 /nfs/dbraw/zinc/22/44/09/602224409.db2.gz JRJNCYOUJWXIFC-BLLLJJGKSA-N -1 1 363.483 2.966 20 30 FFEDMM CN(C[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1)C(=O)[O-] ZINC000739636407 602859028 /nfs/dbraw/zinc/85/90/28/602859028.db2.gz JSSMSYOLRJOOGI-MRXNPFEDSA-N -1 1 353.426 2.701 20 30 FFEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3csc(CNC(=O)[O-])n3)[nH]c21 ZINC000740174177 603074350 /nfs/dbraw/zinc/07/43/50/603074350.db2.gz IISMCHFDNOYWFF-SECBINFHSA-N -1 1 355.379 2.586 20 30 FFEDMM CS(=O)(=O)c1ccccc1N=NCc1cccc2c1N(C(=O)[O-])CC2 ZINC000829700384 603822773 /nfs/dbraw/zinc/82/27/73/603822773.db2.gz QLJSEBSLEDGKQN-UHFFFAOYSA-N -1 1 359.407 2.577 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000833515905 604965446 /nfs/dbraw/zinc/96/54/46/604965446.db2.gz PCJBFKJLUWSNKS-UONOGXRCSA-N -1 1 361.467 2.958 20 30 FFEDMM C#CC[C@H](NCC(=O)NCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000833360875 605134285 /nfs/dbraw/zinc/13/42/85/605134285.db2.gz QMIMGFQNSWGXFY-SFHVURJKSA-N -1 1 351.406 2.747 20 30 FFEDMM C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC000820696750 606368702 /nfs/dbraw/zinc/36/87/02/606368702.db2.gz BUKLSBJATJNTJN-JFGNBEQYSA-N -1 1 363.516 2.551 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(Cc2ccccc2)C(F)(F)F)o1 ZINC000822422648 607146815 /nfs/dbraw/zinc/14/68/15/607146815.db2.gz AXBKVTNRCJOABJ-UHFFFAOYSA-N -1 1 351.292 2.736 20 30 FFEDMM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953674 608091789 /nfs/dbraw/zinc/09/17/89/608091789.db2.gz LEZKSRIIAHLUBN-UHFFFAOYSA-N -1 1 361.431 2.778 20 30 FFEDMM C=CCn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1C1CC1 ZINC000823937410 608171491 /nfs/dbraw/zinc/17/14/91/608171491.db2.gz WRGZPUSCYWQPFT-UHFFFAOYSA-N -1 1 366.863 2.783 20 30 FFEDMM C=CCn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1C1CC1 ZINC000823937410 608171493 /nfs/dbraw/zinc/17/14/93/608171493.db2.gz WRGZPUSCYWQPFT-UHFFFAOYSA-N -1 1 366.863 2.783 20 30 FFEDMM CCc1cnccc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000825735352 608228691 /nfs/dbraw/zinc/22/86/91/608228691.db2.gz REUGDARJEOYZOB-UHFFFAOYSA-N -1 1 354.418 2.946 20 30 FFEDMM N#Cc1ccccc1-c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000826387274 608296373 /nfs/dbraw/zinc/29/63/73/608296373.db2.gz NGDFCLPCVHXPEC-UHFFFAOYSA-N -1 1 354.377 2.807 20 30 FFEDMM N#Cc1ccccc1-c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000826387274 608296375 /nfs/dbraw/zinc/29/63/75/608296375.db2.gz NGDFCLPCVHXPEC-UHFFFAOYSA-N -1 1 354.377 2.807 20 30 FFEDMM CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000823962906 609159502 /nfs/dbraw/zinc/15/95/02/609159502.db2.gz RFLKOHTYEGKEFA-UHFFFAOYSA-N -1 1 373.348 2.652 20 30 FFEDMM COc1cc(C)c(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c(C)n1 ZINC000826178066 609374305 /nfs/dbraw/zinc/37/43/05/609374305.db2.gz ISEGFHWTMYCROS-UHFFFAOYSA-N -1 1 370.417 2.520 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)ccc1Cl ZINC000156744817 728858094 /nfs/dbraw/zinc/85/80/94/728858094.db2.gz IZDXSKFQXQWTGI-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1c(C)nn(C)c1C ZINC000125752913 728687099 /nfs/dbraw/zinc/68/70/99/728687099.db2.gz ZFLULPDGJUUBBX-CQSZACIVSA-N -1 1 368.409 2.616 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(F)ccc2Br)c(=O)o1 ZINC000134631016 728731596 /nfs/dbraw/zinc/73/15/96/728731596.db2.gz KRWKQHNTTOYSIJ-JBQRSBCVSA-N -1 1 353.143 2.816 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1F ZINC000176680110 729116718 /nfs/dbraw/zinc/11/67/18/729116718.db2.gz WHXOQAFRUHHNIR-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c(F)c1 ZINC000178809584 729170442 /nfs/dbraw/zinc/17/04/42/729170442.db2.gz FWQQYEIFLIGXAR-UHFFFAOYSA-N -1 1 350.762 2.799 20 30 FFEDMM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000645882119 730616004 /nfs/dbraw/zinc/61/60/04/730616004.db2.gz FCUBDUMHBMFJBH-VIFPVBQESA-N -1 1 356.658 2.699 20 30 FFEDMM O=S1(=O)CCC[C@H](NN=Cc2cc(Cl)c3ccccc3c2[O-])C1 ZINC000863132041 730752095 /nfs/dbraw/zinc/75/20/95/730752095.db2.gz AADZYYMDASUVEB-LBPRGKRZSA-N -1 1 352.843 2.700 20 30 FFEDMM Cc1[nH]c(C#N)cc1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870164691 731477960 /nfs/dbraw/zinc/47/79/60/731477960.db2.gz YDHDCKZFIMIBNF-UHFFFAOYSA-N -1 1 358.829 2.512 20 30 FFEDMM O=c1nc(NN=Cc2cc(Cl)cc(C(F)(F)F)c2)nc2[nH][n-]cc1-2 ZINC000780225130 738527696 /nfs/dbraw/zinc/52/76/96/738527696.db2.gz LOHNGARVVMNSGD-UHFFFAOYSA-N -1 1 356.695 2.550 20 30 FFEDMM Cc1cccc(C#N)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1 ZINC000872330511 731751756 /nfs/dbraw/zinc/75/17/56/731751756.db2.gz JFTNLELKCQPQEK-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2c(Cl)ccc3cccnc32)c2ccccc21 ZINC000781124167 738600701 /nfs/dbraw/zinc/60/07/01/738600701.db2.gz XXNUUHXOVCUYAW-UHFFFAOYSA-N -1 1 370.821 2.961 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@H](C(F)(F)F)C1 ZINC000783520992 738811420 /nfs/dbraw/zinc/81/14/20/738811420.db2.gz LUMXAMDWLZUCBO-VIFPVBQESA-N -1 1 365.333 2.982 20 30 FFEDMM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000783900964 738846901 /nfs/dbraw/zinc/84/69/01/738846901.db2.gz OPDIGUOSXZSTGY-VIFPVBQESA-N -1 1 362.183 2.827 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cc(C(F)(F)F)ccc2F)c2ccccc21 ZINC000733203363 734797389 /nfs/dbraw/zinc/79/73/89/734797389.db2.gz GBYJBYFPEATDJJ-UHFFFAOYSA-N -1 1 371.315 2.917 20 30 FFEDMM COc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000734080301 734873045 /nfs/dbraw/zinc/87/30/45/734873045.db2.gz NZMMKPDITBILTH-SNVBAGLBSA-N -1 1 365.176 2.753 20 30 FFEDMM C=CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccncc1 ZINC000734502320 734900166 /nfs/dbraw/zinc/90/01/66/734900166.db2.gz QBVURHGDCGPNCO-OAHLLOKOSA-N -1 1 354.378 2.964 20 30 FFEDMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000740812176 735089450 /nfs/dbraw/zinc/08/94/50/735089450.db2.gz WBSQSVNKWWNGGD-UHFFFAOYSA-N -1 1 359.407 2.524 20 30 FFEDMM O=C1C=COC2(CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000897602582 735253788 /nfs/dbraw/zinc/25/37/88/735253788.db2.gz QZGIBISDEQHFSZ-UHFFFAOYSA-N -1 1 352.774 2.792 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000748248845 735630231 /nfs/dbraw/zinc/63/02/31/735630231.db2.gz ZPVUZCBFNFHSCV-UHFFFAOYSA-N -1 1 359.407 2.786 20 30 FFEDMM C#CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1 ZINC000749142616 735697901 /nfs/dbraw/zinc/69/79/01/735697901.db2.gz NBAUMPMHHASUPP-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM CCCCC1N=NC(=S)N1N=Cc1ncc(Br)cc1[O-] ZINC000901132728 735748070 /nfs/dbraw/zinc/74/80/70/735748070.db2.gz DLEBUHWBLFJCSF-UHFFFAOYSA-N -1 1 356.249 2.655 20 30 FFEDMM C#C[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000754388511 736155011 /nfs/dbraw/zinc/15/50/11/736155011.db2.gz MGHSYVRHVFNDDZ-INIZCTEOSA-N -1 1 356.447 2.937 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000758933988 736533162 /nfs/dbraw/zinc/53/31/62/736533162.db2.gz AEIOHAXHEFGBPQ-UHFFFAOYSA-N -1 1 362.382 2.816 20 30 FFEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)s1 ZINC000759204806 736554772 /nfs/dbraw/zinc/55/47/72/736554772.db2.gz DZOGIECONNYWTL-ZDUSSCGKSA-N -1 1 359.407 2.568 20 30 FFEDMM Cc1cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000760254036 736624883 /nfs/dbraw/zinc/62/48/83/736624883.db2.gz LEXXUJPSFPAXII-UHFFFAOYSA-N -1 1 353.425 2.727 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000908814079 736836845 /nfs/dbraw/zinc/83/68/45/736836845.db2.gz NQAIFCIEGCYFKX-JKSUJKDBSA-N -1 1 351.422 2.537 20 30 FFEDMM C#C[C@@H](C)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000767441165 737326097 /nfs/dbraw/zinc/32/60/97/737326097.db2.gz ZFHOQDWNRKUNQT-CYBMUJFWSA-N -1 1 359.407 2.854 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000769658668 737551097 /nfs/dbraw/zinc/55/10/97/737551097.db2.gz PSUPGCZBSXYUQA-HNNXBMFYSA-N -1 1 356.447 2.890 20 30 FFEDMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000769834449 737571847 /nfs/dbraw/zinc/57/18/47/737571847.db2.gz PTIQPXGIWANORK-FLIBITNWSA-N -1 1 356.403 2.854 20 30 FFEDMM C=C(Cl)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000769880050 737577883 /nfs/dbraw/zinc/57/78/83/737577883.db2.gz ORCXPWGDEIVUCV-UHFFFAOYSA-N -1 1 352.696 2.985 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1Cl ZINC000914599324 737585951 /nfs/dbraw/zinc/58/59/51/737585951.db2.gz CYTVFOXBFIJZCV-UHFFFAOYSA-N -1 1 351.790 2.942 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000914599207 737586032 /nfs/dbraw/zinc/58/60/32/737586032.db2.gz APNJNGPLYCZDQH-UHFFFAOYSA-N -1 1 353.325 2.778 20 30 FFEDMM N#Cc1cc(CS(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@@H]2F)cs1 ZINC000921318210 737960195 /nfs/dbraw/zinc/96/01/95/737960195.db2.gz SGPNYQVBIUWNJC-DZGCQCFKSA-N -1 1 352.412 2.511 20 30 FFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000776751135 738229945 /nfs/dbraw/zinc/22/99/45/738229945.db2.gz OUAOTMFHSJFORI-UHFFFAOYSA-N -1 1 353.743 2.626 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCOC2=O)c1 ZINC000794580750 739907017 /nfs/dbraw/zinc/90/70/17/739907017.db2.gz NQPDSOHHDDEXIU-UHFFFAOYSA-N -1 1 357.391 2.510 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(C)c(C)o1 ZINC000799877639 740459837 /nfs/dbraw/zinc/45/98/37/740459837.db2.gz FFUQNPGNLZGXBB-UHFFFAOYSA-N -1 1 351.384 2.648 20 30 FFEDMM N#CC1(COC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000802992166 740755489 /nfs/dbraw/zinc/75/54/89/740755489.db2.gz GKHGCWGFISJESL-UHFFFAOYSA-N -1 1 356.403 2.948 20 30 FFEDMM N#CCOc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000804986282 740922945 /nfs/dbraw/zinc/92/29/45/740922945.db2.gz GBPLCVGJGBIZRC-UHFFFAOYSA-N -1 1 372.780 2.999 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2F)o1 ZINC000804991304 740923709 /nfs/dbraw/zinc/92/37/09/740923709.db2.gz OWDKPTVRFQLDBH-UHFFFAOYSA-N -1 1 373.203 2.574 20 30 FFEDMM CCO[C@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)[C@@H]1SC ZINC000807970980 741175166 /nfs/dbraw/zinc/17/51/66/741175166.db2.gz DLNAEWVDHYFMQO-RYUDHWBXSA-N -1 1 364.475 2.595 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809843989 741353098 /nfs/dbraw/zinc/35/30/98/741353098.db2.gz SMEJLYSLKYYCOS-SNVBAGLBSA-N -1 1 351.211 2.838 20 30 FFEDMM CCCCCCCS(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810088043 741384592 /nfs/dbraw/zinc/38/45/92/741384592.db2.gz FEQYJTLURVTSJU-ZDUSSCGKSA-N -1 1 372.453 2.677 20 30 FFEDMM CCNc1nc(N=NCc2cccc(C(=O)[O-])c2Cl)nc(NCC)n1 ZINC000814725360 741859534 /nfs/dbraw/zinc/85/95/34/741859534.db2.gz AXJORPNSKJTFDG-UHFFFAOYSA-N -1 1 363.809 2.533 20 30 FFEDMM N#CCC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000831353198 745519076 /nfs/dbraw/zinc/51/90/76/745519076.db2.gz NFPICGCMOXXYKP-UHFFFAOYSA-N -1 1 364.210 2.874 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)c1 ZINC000838377344 746626842 /nfs/dbraw/zinc/62/68/42/746626842.db2.gz VKFADHMINJHSMU-UHFFFAOYSA-N -1 1 357.797 2.996 20 30 FFEDMM C#CCO[N-]C(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC000844145198 747977920 /nfs/dbraw/zinc/97/79/20/747977920.db2.gz YVZGTCWAAVCYMG-GFCCVEGCSA-N -1 1 371.218 2.931 20 30 FFEDMM CC(=NNC(=S)NC[C@@H]1CCCO1)c1ccc([O-])c(Br)c1 ZINC000844566906 748052610 /nfs/dbraw/zinc/05/26/10/748052610.db2.gz KNKSHAFTYCJYJD-NSHDSACASA-N -1 1 372.288 2.522 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC000845965992 748364334 /nfs/dbraw/zinc/36/43/34/748364334.db2.gz YAIVFHHRFWYRLC-UHFFFAOYSA-N -1 1 361.782 2.750 20 30 FFEDMM C=C[C@@H](C)O[N-]C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000846549749 748500487 /nfs/dbraw/zinc/50/04/87/748500487.db2.gz LFDTWGYMTSWHLN-YPMHNXCESA-N -1 1 356.344 2.676 20 30 FFEDMM C[C@@H]1CCN(C(=S)Nc2ccccc2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853052031 749996217 /nfs/dbraw/zinc/99/62/17/749996217.db2.gz VNWXOYLEIXWJDV-MFKMUULPSA-N -1 1 370.400 2.644 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC001594366711 958496143 /nfs/dbraw/zinc/49/61/43/958496143.db2.gz IKRLVFIZCVQYJQ-SJLPKXTDSA-N -1 1 357.454 2.593 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000891023830 961615675 /nfs/dbraw/zinc/61/56/75/961615675.db2.gz LUVQANHJUXMXDQ-FQEVSTJZSA-N -1 1 371.437 2.879 20 30 FFEDMM C#C[C@@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C1CCOCC1 ZINC000825665402 1013426725 /nfs/dbraw/zinc/42/67/25/1013426725.db2.gz ABBTYGURPSIROO-QGZVFWFLSA-N -1 1 353.374 2.623 20 30 FFEDMM C#C[C@H]1CC[C@H](NC(=O)c2ccc(I)c([O-])c2)CC1 ZINC001176980955 1013820500 /nfs/dbraw/zinc/82/05/00/1013820500.db2.gz GMSMUWVSUQTYLT-UMSPYCQHSA-N -1 1 369.202 2.919 20 30 FFEDMM C#CCN1CC[C@]2(CCCN(C(=O)c3cc(Cl)ccc3[O-])CC2)C1=O ZINC001271439626 973235102 /nfs/dbraw/zinc/23/51/02/973235102.db2.gz NUOCKIMXIUHPCD-LJQANCHMSA-N -1 1 360.841 2.524 20 30 FFEDMM CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000897308287 974062540 /nfs/dbraw/zinc/06/25/40/974062540.db2.gz AQRWMDVHWHFYQD-SFHVURJKSA-N -1 1 353.422 2.557 20 30 FFEDMM C[C@](CC(=O)[O-])(NCC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 ZINC001592322553 977727970 /nfs/dbraw/zinc/72/79/70/977727970.db2.gz OOMYZWQPUUVRQJ-LJQANCHMSA-N -1 1 355.369 2.616 20 30 FFEDMM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1scnc1C1CC1 ZINC000760968011 984602952 /nfs/dbraw/zinc/60/29/52/984602952.db2.gz GXTWHZKGNBIQLP-LBPRGKRZSA-N -1 1 369.402 2.753 20 30 FFEDMM Cc1sc2ncn(N=Cc3n[nH]c4cc(C(=O)[O-])ccc34)c(=O)c2c1C ZINC000765555671 985186465 /nfs/dbraw/zinc/18/64/65/985186465.db2.gz JRWSTKYBZLGXSC-UHFFFAOYSA-N -1 1 367.390 2.532 20 30 FFEDMM C#C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000185291711 993274727 /nfs/dbraw/zinc/27/47/27/993274727.db2.gz ONBLOAXVKNCRBI-AWEZNQCLSA-N -1 1 372.446 2.638 20 30 FFEDMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809712129 994589937 /nfs/dbraw/zinc/58/99/37/994589937.db2.gz CQEWLLFKPWVDGZ-HNNXBMFYSA-N -1 1 361.442 2.933 20 30 FFEDMM N#Cc1ccc(NC(=O)C[C@@H](CC(N)=O)c2ccc(Cl)cc2)c([O-])c1 ZINC001143787511 997668244 /nfs/dbraw/zinc/66/82/44/997668244.db2.gz VQHQJNONLWBMOW-CYBMUJFWSA-N -1 1 357.797 2.905 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@@H](c2ccccc2Cl)N2CCOCC2)c([O-])c1 ZINC001143859674 997736600 /nfs/dbraw/zinc/73/66/00/997736600.db2.gz SSLOVOXRCUFKAV-GOSISDBHSA-N -1 1 371.824 2.929 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c([O-])cc2F)[C@H](C#N)C1 ZINC001144647861 1000188526 /nfs/dbraw/zinc/18/85/26/1000188526.db2.gz NAPLRKHEAJDZPV-GFCCVEGCSA-N -1 1 353.369 2.615 20 30 FFEDMM C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001148801305 1001214550 /nfs/dbraw/zinc/21/45/50/1001214550.db2.gz XZYYFKDUAPBYTK-GFCCVEGCSA-N -1 1 372.343 2.928 20 30 FFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000785542246 1001451257 /nfs/dbraw/zinc/45/12/57/1001451257.db2.gz ZLZIVEJNYDCPEE-LBPRGKRZSA-N -1 1 351.362 2.711 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)cc1[O-] ZINC000785569046 1001458727 /nfs/dbraw/zinc/45/87/27/1001458727.db2.gz UOPYNBJRWBCSBL-UHFFFAOYSA-N -1 1 365.389 2.611 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785565003 1001458875 /nfs/dbraw/zinc/45/88/75/1001458875.db2.gz DBSXLYHGUZHHIU-ZDUSSCGKSA-N -1 1 359.426 2.641 20 30 FFEDMM COc1c([O-])c(C=NNc2ccc3c(cc[nH]c3=O)c2)ccc1[N+](=O)[O-] ZINC000789077550 1001955777 /nfs/dbraw/zinc/95/57/77/1001955777.db2.gz VTCPNZYPBQQYLV-UHFFFAOYSA-N -1 1 354.322 2.597 20 30 FFEDMM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186728096 1003412759 /nfs/dbraw/zinc/41/27/59/1003412759.db2.gz DZXPBQHCLKLPKF-GFCCVEGCSA-N -1 1 367.215 2.944 20 30 FFEDMM CC(=O)Nc1cc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)ncn1 ZINC001196309187 1003731266 /nfs/dbraw/zinc/73/12/66/1003731266.db2.gz PLNNRXHIQQFSLH-UHFFFAOYSA-N -1 1 373.372 2.932 20 30 FFEDMM CCOC(=O)[C@@H](C)CNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196330666 1003743858 /nfs/dbraw/zinc/74/38/58/1003743858.db2.gz ZCWFLUZAPCCUCW-ZDUSSCGKSA-N -1 1 352.390 2.860 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)c1 ZINC001197106253 1004085681 /nfs/dbraw/zinc/08/56/81/1004085681.db2.gz GVWRQYXMIVZQQN-AATRIKPKSA-N -1 1 360.366 2.684 20 30 FFEDMM COC(=O)c1cc(C#N)cc([N-]C(=O)c2nc(Cc3ccccc3)no2)c1 ZINC001192277425 1004114697 /nfs/dbraw/zinc/11/46/97/1004114697.db2.gz VFLAAUFZYPPPEY-UHFFFAOYSA-N -1 1 362.345 2.571 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001193146062 1004389775 /nfs/dbraw/zinc/38/97/75/1004389775.db2.gz HDWZGKCGXLLXPT-LBPRGKRZSA-N -1 1 365.455 2.634 20 30 FFEDMM COc1cc([N-]S(=O)(=O)[C@H](C)C#N)c(Br)cc1Cl ZINC001193150646 1004390439 /nfs/dbraw/zinc/39/04/39/1004390439.db2.gz ZLKRRKXMWDSSAP-ZCFIWIBFSA-N -1 1 353.625 2.765 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C(=O)OCC ZINC001194186677 1004675353 /nfs/dbraw/zinc/67/53/53/1004675353.db2.gz IYYIUGNOOYFTNF-QWHCGFSZSA-N -1 1 353.431 2.629 20 30 FFEDMM CSc1nc(NC(=O)c2ccc(C#CBr)cc2)cc(=O)[n-]1 ZINC001194796967 1004811691 /nfs/dbraw/zinc/81/16/91/1004811691.db2.gz DAYLLDPCNXPQEP-UHFFFAOYSA-N -1 1 364.224 2.860 20 30 FFEDMM Cc1cc(C(=O)N([O-])C(=N)c2ccccc2N)nn1-c1cccc(F)c1 ZINC001199347610 1004906190 /nfs/dbraw/zinc/90/61/90/1004906190.db2.gz JRPRYXDDZHDFNI-UHFFFAOYSA-N -1 1 353.357 2.759 20 30 FFEDMM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1cnc(C#N)cn1 ZINC001199665795 1005001429 /nfs/dbraw/zinc/00/14/29/1005001429.db2.gz XDGOSJVZCDXPMA-UHFFFAOYSA-N -1 1 356.725 2.787 20 30 FFEDMM Cc1cnc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(Br)n1 ZINC001201293478 1005189573 /nfs/dbraw/zinc/18/95/73/1005189573.db2.gz XVTDBJVDTPBUPA-UHFFFAOYSA-N -1 1 367.228 2.528 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3(C)C)cc1C#N ZINC001201323700 1005200103 /nfs/dbraw/zinc/20/01/03/1005200103.db2.gz MELNSTIHEIQJEH-UHFFFAOYSA-N -1 1 369.446 2.689 20 30 FFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2C#N ZINC001201766215 1005263559 /nfs/dbraw/zinc/26/35/59/1005263559.db2.gz BQMZGEOGVMMQPW-GFCCVEGCSA-N -1 1 353.856 2.942 20 30 FFEDMM C=C(C)C(C)(C)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001490443911 1005712012 /nfs/dbraw/zinc/71/20/12/1005712012.db2.gz BPSLXWUIONIYRV-HUUCEWRRSA-N -1 1 359.470 2.604 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@@H]1Cc1ccccn1 ZINC000853314385 1006365465 /nfs/dbraw/zinc/36/54/65/1006365465.db2.gz LWJZSFJXVLNGPO-CYBMUJFWSA-N -1 1 374.422 2.667 20 30 FFEDMM C#CCCCOc1cccnc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000853637241 1006490135 /nfs/dbraw/zinc/49/01/35/1006490135.db2.gz OTUNNNAMPGWCQY-AWEZNQCLSA-N -1 1 369.387 2.769 20 30 FFEDMM C=CCSCC[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC001189080443 1006900508 /nfs/dbraw/zinc/90/05/08/1006900508.db2.gz PUHOWATUOJTGIA-UHFFFAOYSA-N -1 1 360.810 2.951 20 30 FFEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC001135476714 1006976663 /nfs/dbraw/zinc/97/66/63/1006976663.db2.gz XOZDQVPBDPDZJE-HNNXBMFYSA-N -1 1 354.410 2.517 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C12CCC2 ZINC000855042755 1007082638 /nfs/dbraw/zinc/08/26/38/1007082638.db2.gz SGQZIYPPLSICNZ-HZPDHXFCSA-N -1 1 371.437 2.830 20 30 FFEDMM Cn1nc(C(F)(F)F)c(C(=O)N([O-])C(=N)c2ccccc2N)c1Cl ZINC001190534877 1007682814 /nfs/dbraw/zinc/68/28/14/1007682814.db2.gz BRIOWZMZGPQJTM-UHFFFAOYSA-N -1 1 361.711 2.531 20 30 FFEDMM C[C@@H](Cc1cn(C)c2ccc(F)cc12)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001191293528 1007957519 /nfs/dbraw/zinc/95/75/19/1007957519.db2.gz QUTGMONZTJIMJP-NSHDSACASA-N -1 1 361.398 2.692 20 30 FFEDMM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000857315688 1008120413 /nfs/dbraw/zinc/12/04/13/1008120413.db2.gz DKLLXAOFJHQRLH-AWEZNQCLSA-N -1 1 357.410 2.548 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)[C@@H](C#N)CCc2ccccc2)[n-]c1=O ZINC000889789367 1010119708 /nfs/dbraw/zinc/11/97/08/1010119708.db2.gz DQJVYBUEWSVYKL-CVEARBPZSA-N -1 1 366.421 2.627 20 30 FFEDMM N#Cc1ccc(N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)nn1 ZINC000866142850 1010937443 /nfs/dbraw/zinc/93/74/43/1010937443.db2.gz KBGSWSLLGOYCBY-LLVKDONJSA-N -1 1 361.327 2.652 20 30 FFEDMM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3ccc([O-])cc3F)CC2)C1=O ZINC001274809925 1011674823 /nfs/dbraw/zinc/67/48/23/1011674823.db2.gz GJECXDDZAQGTFB-HXUWFJFHSA-N -1 1 360.429 2.952 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)ccnc1-2 ZINC001217059580 1032599322 /nfs/dbraw/zinc/59/93/22/1032599322.db2.gz BXZGFLMGPNZSOG-CQSZACIVSA-N -1 1 374.326 2.639 20 30 FFEDMM N#C[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000928230194 1018901442 /nfs/dbraw/zinc/90/14/42/1018901442.db2.gz FVVZKVGLAIILPW-HNNXBMFYSA-N -1 1 369.446 2.863 20 30 FFEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccccc2[C@H]2CCC(=O)N2)cc1 ZINC000901686772 1019350810 /nfs/dbraw/zinc/35/08/10/1019350810.db2.gz LLQISCIRSUQLTD-QGZVFWFLSA-N -1 1 369.446 2.895 20 30 FFEDMM CC(C)C(Cn1cccn1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000802711469 1020342367 /nfs/dbraw/zinc/34/23/67/1020342367.db2.gz PYHFANZFCDYVHW-UHFFFAOYSA-N -1 1 356.434 2.608 20 30 FFEDMM Nc1cnnc([N-]N=C2c3cc(Cl)cc(Cl)c3NC2=O)c1Cl ZINC001116289540 1021156258 /nfs/dbraw/zinc/15/62/58/1021156258.db2.gz ZSXHNDSOOCHQJN-UHFFFAOYSA-N -1 1 357.588 2.787 20 30 FFEDMM COc1cc(Br)c(C(=O)Nc2ccc(C#N)cc2[O-])cc1O ZINC001149061846 1021685119 /nfs/dbraw/zinc/68/51/19/1021685119.db2.gz NGHQADOQGRMPLX-UHFFFAOYSA-N -1 1 363.167 2.993 20 30 FFEDMM N#CC(=C([O-])c1cnn2ccncc12)c1nc2ccccc2n1C(F)F ZINC001122415006 1023253624 /nfs/dbraw/zinc/25/36/24/1023253624.db2.gz AQGSNHCLHFIXTJ-JTQLQIEISA-N -1 1 352.304 2.964 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCCc2sccc2C1 ZINC001122491177 1023302540 /nfs/dbraw/zinc/30/25/40/1023302540.db2.gz IZCZFMPPSWSLDL-UHFFFAOYSA-N -1 1 356.455 2.964 20 30 FFEDMM C=CCCC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)OC ZINC001122842749 1023508970 /nfs/dbraw/zinc/50/89/70/1023508970.db2.gz KFZBXGXBKVHYLA-AWEZNQCLSA-N -1 1 363.838 2.796 20 30 FFEDMM O=C(OCCC(F)(F)C(F)(F)F)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC001123212989 1023689833 /nfs/dbraw/zinc/68/98/33/1023689833.db2.gz NYNVRYSVTICIQZ-NTSWFWBYSA-N -1 1 357.197 2.574 20 30 FFEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1c1cccc(C)c1C ZINC001121520362 1023823222 /nfs/dbraw/zinc/82/32/22/1023823222.db2.gz CLTLVJIIBWVLSS-INIZCTEOSA-N -1 1 364.457 2.526 20 30 FFEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1c1cccc(C)c1C ZINC001121520362 1023823224 /nfs/dbraw/zinc/82/32/24/1023823224.db2.gz CLTLVJIIBWVLSS-INIZCTEOSA-N -1 1 364.457 2.526 20 30 FFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000757472493 1023823582 /nfs/dbraw/zinc/82/35/82/1023823582.db2.gz JJEIHDVAARCNQQ-DJWKRKHSSA-N -1 1 371.364 2.962 20 30 FFEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(O[C@@H](C)C#N)cc2)[n-]c1=O ZINC000191479852 1023838975 /nfs/dbraw/zinc/83/89/75/1023838975.db2.gz UUMAITPNUJBWMV-SRXBQZRASA-N -1 1 353.378 2.798 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001121547929 1023842612 /nfs/dbraw/zinc/84/26/12/1023842612.db2.gz PVZQDQWWFWFSMB-CYBMUJFWSA-N -1 1 366.425 2.562 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001121642811 1023899520 /nfs/dbraw/zinc/89/95/20/1023899520.db2.gz OKMCLUYNGFWOMR-UHFFFAOYSA-N -1 1 356.352 2.729 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001121716200 1023942892 /nfs/dbraw/zinc/94/28/92/1023942892.db2.gz CHMMJIVCIUGGTF-SNVBAGLBSA-N -1 1 359.821 2.806 20 30 FFEDMM N#Cc1ccc(F)c(-c2noc(-c3cnc(-c4ccccn4)[n-]c3=O)n2)c1 ZINC001212927017 1027378887 /nfs/dbraw/zinc/37/88/87/1027378887.db2.gz HLENXJUQIKXVRH-UHFFFAOYSA-N -1 1 360.308 2.972 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3ccc(C#N)c([O-])c3)CC2)C1 ZINC001160113185 1027597743 /nfs/dbraw/zinc/59/77/43/1027597743.db2.gz GSOGAJSXOBTRJU-OAHLLOKOSA-N -1 1 371.437 2.783 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cn3c(cccc3Br)n2)c([O-])c1 ZINC001153121445 1027777222 /nfs/dbraw/zinc/77/72/22/1027777222.db2.gz BFGYNNRNSUSORS-UHFFFAOYSA-N -1 1 357.167 2.926 20 30 FFEDMM CC[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCN1Cc1ccccc1 ZINC001153910628 1028067304 /nfs/dbraw/zinc/06/73/04/1028067304.db2.gz JUGSXUOSYFQFCY-GOSISDBHSA-N -1 1 364.449 2.704 20 30 FFEDMM N#Cc1cccc(C(=O)Nc2ccc(I)cc2[O-])n1 ZINC001154103778 1028147416 /nfs/dbraw/zinc/14/74/16/1028147416.db2.gz DRMNBHGYYQOPQB-UHFFFAOYSA-N -1 1 365.130 2.516 20 30 FFEDMM N#Cc1c[nH]c2cc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)ccc12 ZINC001155228122 1028634906 /nfs/dbraw/zinc/63/49/06/1028634906.db2.gz LEFDSNSWCMVAEH-UHFFFAOYSA-N -1 1 361.313 2.809 20 30 FFEDMM Nc1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC001155913872 1028973206 /nfs/dbraw/zinc/97/32/06/1028973206.db2.gz AHAWTZFTHCPWHK-UHFFFAOYSA-N -1 1 357.248 2.719 20 30 FFEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783110797 1029900823 /nfs/dbraw/zinc/90/08/23/1029900823.db2.gz JQHMCLRPCSDDCK-LJQANCHMSA-N -1 1 369.373 2.799 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000783470662 1030114801 /nfs/dbraw/zinc/11/48/01/1030114801.db2.gz TYDNFVSOIIMNHB-CYBMUJFWSA-N -1 1 350.378 2.770 20 30 FFEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784211324 1030512418 /nfs/dbraw/zinc/51/24/18/1030512418.db2.gz DKNIUAPROMJYLC-UHFFFAOYSA-N -1 1 355.346 2.553 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)oc2C)cc1 ZINC000797943253 1031260875 /nfs/dbraw/zinc/26/08/75/1031260875.db2.gz PHGOINCNHNHVQM-MRXNPFEDSA-N -1 1 365.345 2.598 20 30 FFEDMM CN1[C@@H]2C[C@@H](Oc3ccc(C(=O)c4ccc([O-])cc4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225809216 1034411770 /nfs/dbraw/zinc/41/17/70/1034411770.db2.gz ZMDZLXCQFHATRH-WOFNEYROSA-N -1 1 351.402 2.614 20 30 FFEDMM N#CC[C@@H](Oc1[n-]c(=O)ncc1I)c1ccccc1 ZINC001226771415 1034828755 /nfs/dbraw/zinc/82/87/55/1034828755.db2.gz WMUYXIPVJFQDTA-LLVKDONJSA-N -1 1 367.146 2.821 20 30 FFEDMM CN1CCN(c2cccc(Cl)c2C=[NH+][N-]c2ccc(C(=O)[O-])nc2)CC1 ZINC000835006977 1035486397 /nfs/dbraw/zinc/48/63/97/1035486397.db2.gz NFQKEGNDBOUTBI-UHFFFAOYSA-N -1 1 373.844 2.631 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3ccc([O-])c(C#N)c3C#N)[C@@H]2C1 ZINC001227618888 1035640776 /nfs/dbraw/zinc/64/07/76/1035640776.db2.gz NYDKFHAYXGWXCB-FABXCBLPSA-N -1 1 355.394 2.770 20 30 FFEDMM N#Cc1c([O-])ccc(O[C@H]2COCc3cc(Br)cnc32)c1C#N ZINC001227617166 1035640873 /nfs/dbraw/zinc/64/08/73/1035640873.db2.gz ADVCJMGXUVWNGG-HNNXBMFYSA-N -1 1 372.178 2.943 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1ccc(F)c([O-])c1F ZINC001232932806 1036165819 /nfs/dbraw/zinc/16/58/19/1036165819.db2.gz CWFSXPWMWMIEKI-OAHLLOKOSA-N -1 1 364.396 2.584 20 30 FFEDMM C=CCONC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC001140879634 1036362839 /nfs/dbraw/zinc/36/28/39/1036362839.db2.gz KGRYQWXMLAXNPY-UHFFFAOYSA-N -1 1 360.435 2.952 20 30 FFEDMM COc1cc(C#N)ccc1OC1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001140947383 1036534143 /nfs/dbraw/zinc/53/41/43/1036534143.db2.gz KLSJEZVTQAEBRI-UHFFFAOYSA-N -1 1 356.378 2.901 20 30 FFEDMM C#C[C@@H](Oc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)cc1)C(=O)OCC ZINC001229269937 1036589833 /nfs/dbraw/zinc/58/98/33/1036589833.db2.gz LFJFKOXRMSQCNT-LKQLOZHYSA-N -1 1 366.369 2.938 20 30 FFEDMM CN1CCO[C@H](COc2cc([O-])ccc2C(=O)/C=C/c2ccc(O)cc2)C1 ZINC001229271080 1036592135 /nfs/dbraw/zinc/59/21/35/1036592135.db2.gz VALYMVHQYYSKMD-URPWPPKMSA-N -1 1 369.417 2.703 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](COc3ccccc3C=N[O-])[C@H]2C1 ZINC001234822412 1037191565 /nfs/dbraw/zinc/19/15/65/1037191565.db2.gz MTSLUWXYSGAJQI-BFYDXBDKSA-N -1 1 362.426 2.755 20 30 FFEDMM C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231448962 1037587980 /nfs/dbraw/zinc/58/79/80/1037587980.db2.gz AZFWWMFIGWZOHE-FQEVSTJZSA-N -1 1 358.438 2.624 20 30 FFEDMM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c([O-])cc1F ZINC001276566642 1038163684 /nfs/dbraw/zinc/16/36/84/1038163684.db2.gz RALBESIBSWHXQN-LJQANCHMSA-N -1 1 363.408 2.931 20 30 FFEDMM CCC[C@H](C)CC[C@H](C)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001257476396 1038823064 /nfs/dbraw/zinc/82/30/64/1038823064.db2.gz PXDZILQZJXJTPP-IHRRRGAJSA-N -1 1 356.469 2.607 20 30 FFEDMM CCC[C@H](C)CC[C@H](C)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001257476396 1038823094 /nfs/dbraw/zinc/82/30/94/1038823094.db2.gz PXDZILQZJXJTPP-IHRRRGAJSA-N -1 1 356.469 2.607 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cnc2F)cc1 ZINC001258036150 1039135561 /nfs/dbraw/zinc/13/55/61/1039135561.db2.gz PRAOCEQWSNSPHE-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM CCCCCCC[C@H](C)[N@@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001258043927 1039140202 /nfs/dbraw/zinc/14/02/02/1039140202.db2.gz UZYMADMTMINBEP-UONOGXRCSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCCCC[C@H](C)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001258043927 1039140207 /nfs/dbraw/zinc/14/02/07/1039140207.db2.gz UZYMADMTMINBEP-UONOGXRCSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCCCC[C@H](C)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001258043927 1039140213 /nfs/dbraw/zinc/14/02/13/1039140213.db2.gz UZYMADMTMINBEP-UONOGXRCSA-N -1 1 356.469 2.751 20 30 FFEDMM Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C#N)c1[O-] ZINC001279075583 1039178422 /nfs/dbraw/zinc/17/84/22/1039178422.db2.gz QKMLISRPLPOGHP-HOTGVXAUSA-N -1 1 368.462 2.518 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc(CO)on3)cc2)cc1 ZINC001258135908 1039213431 /nfs/dbraw/zinc/21/34/31/1039213431.db2.gz KKJIEVHOYHLGNQ-UHFFFAOYSA-N -1 1 355.375 2.506 20 30 FFEDMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@](C)(C#N)c1ccccc1Cl ZINC001258464837 1039384878 /nfs/dbraw/zinc/38/48/78/1039384878.db2.gz ACCVOWWDSLDULK-AWEZNQCLSA-N -1 1 373.265 2.753 20 30 FFEDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(F)c(C#N)cc1F)C(=O)C2 ZINC001258972484 1039628483 /nfs/dbraw/zinc/62/84/83/1039628483.db2.gz DAVIIGQDLAHJCN-GTNSWQLSSA-N -1 1 368.405 2.974 20 30 FFEDMM CCOc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc(C(=O)OC)c1 ZINC001259125074 1039731263 /nfs/dbraw/zinc/73/12/63/1039731263.db2.gz JTGVSBBBSYMGNQ-UHFFFAOYSA-N -1 1 360.391 2.544 20 30 FFEDMM COC(=O)[C@@H]1CCc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc21 ZINC001259126164 1039732239 /nfs/dbraw/zinc/73/22/39/1039732239.db2.gz OOGGFJLOBTYVPG-QGZVFWFLSA-N -1 1 356.403 2.562 20 30 FFEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cn1 ZINC001259362708 1039940632 /nfs/dbraw/zinc/94/06/32/1039940632.db2.gz HNMHROYGBKUIJM-UHFFFAOYSA-N -1 1 367.434 2.869 20 30 FFEDMM COc1cc(C#N)cc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c1 ZINC001259446806 1040012108 /nfs/dbraw/zinc/01/21/08/1040012108.db2.gz SRDZFVNNRGLQTC-UHFFFAOYSA-N -1 1 354.334 2.969 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ncc(C#N)cc2Br)cc1F ZINC001259474122 1040040062 /nfs/dbraw/zinc/04/00/62/1040040062.db2.gz HXHSYVUZDFAVNN-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM CC(C)CS(=O)(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001259879272 1040267309 /nfs/dbraw/zinc/26/73/09/1040267309.db2.gz JVBNILNOTAGSRX-LZYBPNLTSA-N -1 1 366.468 2.619 20 30 FFEDMM N#Cc1c(F)ccc([N-]S(=O)(=O)c2cccc3nsnc32)c1F ZINC001260388160 1040571074 /nfs/dbraw/zinc/57/10/74/1040571074.db2.gz WZKZNDFQAHBGOC-UHFFFAOYSA-N -1 1 352.347 2.642 20 30 FFEDMM CS(=O)(=O)[N-]c1ccsc1-c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001214006082 1041155503 /nfs/dbraw/zinc/15/55/03/1041155503.db2.gz ZUYKAJBYSOEPJC-UHFFFAOYSA-N -1 1 364.383 2.847 20 30 FFEDMM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001262637946 1041767901 /nfs/dbraw/zinc/76/79/01/1041767901.db2.gz JCQGWPDTCJVZQK-CQSZACIVSA-N -1 1 366.845 2.969 20 30 FFEDMM N#Cc1ccc(-c2noc(-c3cc(Br)c([O-])cc3O)n2)nc1 ZINC001215474226 1041797260 /nfs/dbraw/zinc/79/72/60/1041797260.db2.gz ZEHKDLYUPBIIRE-UHFFFAOYSA-N -1 1 359.139 2.844 20 30 FFEDMM COc1ncc(Nc2cc(Cl)ccc2C#N)cc1[N-]S(C)(=O)=O ZINC001216156776 1041965908 /nfs/dbraw/zinc/96/59/08/1041965908.db2.gz YIPIHHOIBWNAHQ-UHFFFAOYSA-N -1 1 352.803 2.730 20 30 FFEDMM C=CC(C)(C)Cc1nnc(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)n1CC ZINC001263008755 1042028760 /nfs/dbraw/zinc/02/87/60/1042028760.db2.gz IHLWUJTUMSMJRH-MRXNPFEDSA-N -1 1 373.423 2.700 20 30 FFEDMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)c2)n1C ZINC001319427039 1045147929 /nfs/dbraw/zinc/14/79/29/1045147929.db2.gz WEMZQLOUTJGPDV-UHFFFAOYSA-N -1 1 367.434 2.657 20 30 FFEDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])cc1O)c1cc(F)cc(C#N)c1 ZINC001322187795 1045986058 /nfs/dbraw/zinc/98/60/58/1045986058.db2.gz ZXXWFGGNCLTXGB-UHFFFAOYSA-N -1 1 357.337 2.812 20 30 FFEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001322287414 1046028490 /nfs/dbraw/zinc/02/84/90/1046028490.db2.gz ZFNHUHFYXNFKFX-UHFFFAOYSA-N -1 1 358.423 2.695 20 30 FFEDMM C=CCSCCNC(=O)c1ccc(I)cc1[O-] ZINC001296285632 1050045109 /nfs/dbraw/zinc/04/51/09/1050045109.db2.gz DRQPJXKZCDZOEQ-UHFFFAOYSA-N -1 1 363.220 2.646 20 30 FFEDMM CCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC001340249239 1050655988 /nfs/dbraw/zinc/65/59/88/1050655988.db2.gz LJANMGHKDGHTHK-WEVVVXLNSA-N -1 1 370.357 2.928 20 30 FFEDMM C=C1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2ccccc2)CC1 ZINC001342287027 1050879452 /nfs/dbraw/zinc/87/94/52/1050879452.db2.gz GDUYGFRLBXNJIP-UHFFFAOYSA-N -1 1 355.833 2.921 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001340602175 1050986490 /nfs/dbraw/zinc/98/64/90/1050986490.db2.gz ZFOHISKGRDYZBK-NEPJUHHUSA-N -1 1 363.849 2.889 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1c1ccc(F)cc1C ZINC001342533778 1051137667 /nfs/dbraw/zinc/13/76/67/1051137667.db2.gz ZIEWYMNCPLWOMF-OAHLLOKOSA-N -1 1 368.420 2.823 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H]1c1ccc(F)cc1C ZINC001342533778 1051137670 /nfs/dbraw/zinc/13/76/70/1051137670.db2.gz ZIEWYMNCPLWOMF-OAHLLOKOSA-N -1 1 368.420 2.823 20 30 FFEDMM C=CCC[C@H]1CCCN1c1nnc(-c2c[n-][nH]c2=O)n1CCCOCC ZINC001343138053 1051759564 /nfs/dbraw/zinc/75/95/64/1051759564.db2.gz AZCHVNMXQNQTPO-AWEZNQCLSA-N -1 1 360.462 2.735 20 30 FFEDMM CCc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)s1 ZINC001309057114 1052547597 /nfs/dbraw/zinc/54/75/97/1052547597.db2.gz XLYJPABTFZAMMS-UHFFFAOYSA-N -1 1 351.409 2.569 20 30 FFEDMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cc(F)cc(C#N)c2)no1 ZINC001309419111 1052616123 /nfs/dbraw/zinc/61/61/23/1052616123.db2.gz WNRZMPQPFYPZSY-UHFFFAOYSA-N -1 1 372.381 2.534 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC2CC1(C)C2 ZINC001346592428 1053138038 /nfs/dbraw/zinc/13/80/38/1053138038.db2.gz DWQHQWXEDOJQBD-UHFFFAOYSA-N -1 1 352.442 2.883 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001356453589 1055512419 /nfs/dbraw/zinc/51/24/19/1055512419.db2.gz MLVHFELWRVPTNS-AWEZNQCLSA-N -1 1 356.352 2.729 20 30 FFEDMM C=CCn1c([C@@H](O)CC)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001338829769 1055853074 /nfs/dbraw/zinc/85/30/74/1055853074.db2.gz ORQMZAIEDHRFFT-KRWDZBQOSA-N -1 1 370.453 2.712 20 30 FFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N(CCOC)CCOC ZINC001339157900 1056150009 /nfs/dbraw/zinc/15/00/09/1056150009.db2.gz MMHGDVDKBGHPFM-UHFFFAOYSA-N -1 1 366.849 2.589 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001339209612 1056206030 /nfs/dbraw/zinc/20/60/30/1056206030.db2.gz BYAABVVOENHQPW-CYBMUJFWSA-N -1 1 356.821 2.639 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001339209612 1056206046 /nfs/dbraw/zinc/20/60/46/1056206046.db2.gz BYAABVVOENHQPW-CYBMUJFWSA-N -1 1 356.821 2.639 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001515030695 1059241730 /nfs/dbraw/zinc/24/17/30/1059241730.db2.gz ANLHAQNGJMUJSO-SNVBAGLBSA-N -1 1 360.372 2.510 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001515030695 1059241743 /nfs/dbraw/zinc/24/17/43/1059241743.db2.gz ANLHAQNGJMUJSO-SNVBAGLBSA-N -1 1 360.372 2.510 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2ccccc2CC1 ZINC001515758510 1059782068 /nfs/dbraw/zinc/78/20/68/1059782068.db2.gz NNGGTLRCCXGDTP-UHFFFAOYSA-N -1 1 350.426 2.555 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)cc1[O-] ZINC001457379765 1060358769 /nfs/dbraw/zinc/35/87/69/1060358769.db2.gz AJGUUYTWZIGLQP-OXJNMPFZSA-N -1 1 350.374 2.677 20 30 FFEDMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(C#N)c1 ZINC001475487970 1061110208 /nfs/dbraw/zinc/11/02/08/1061110208.db2.gz KQNZVSTZSCPBRS-UHFFFAOYSA-N -1 1 363.370 2.819 20 30 FFEDMM C=CCC1(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCCC1 ZINC001463691503 1062214100 /nfs/dbraw/zinc/21/41/00/1062214100.db2.gz PWPZKQXBZFDNFV-UHFFFAOYSA-N -1 1 351.394 2.854 20 30 FFEDMM CCOC(=O)c1nc(NC(=O)C2(c3ccc(C#N)cc3)CC2)[n-]c1Cl ZINC001439496965 1063165232 /nfs/dbraw/zinc/16/52/32/1063165232.db2.gz IWMUHCCQZWYJKW-UHFFFAOYSA-N -1 1 358.785 2.782 20 30 FFEDMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Nc1cccc(CC#N)c1 ZINC001466577092 1063483798 /nfs/dbraw/zinc/48/37/98/1063483798.db2.gz BBZLUFNSCDOYHS-FZMZJTMJSA-N -1 1 368.359 2.816 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(O)CCCCc1ccccc1 ZINC001472620368 1065112644 /nfs/dbraw/zinc/11/26/44/1065112644.db2.gz ZHNMAWYVBYCFLX-UHFFFAOYSA-N -1 1 368.437 2.835 20 30 FFEDMM C[C@@H]1C[C@H]1[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001576093357 1078195142 /nfs/dbraw/zinc/19/51/42/1078195142.db2.gz BXXVPVCYQWIXRC-BCQZVRRWSA-N -1 1 366.816 2.991 20 30 FFEDMM CC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC001475043093 1065684031 /nfs/dbraw/zinc/68/40/31/1065684031.db2.gz NRQGUDUYFYHEBI-UHFFFAOYSA-N -1 1 361.236 2.928 20 30 FFEDMM N#Cc1nc(N[C@@H]2CCCOc3cc(Cl)ccc32)cnc1-c1nnn[n-]1 ZINC001581880648 1079011794 /nfs/dbraw/zinc/01/17/94/1079011794.db2.gz QZWCIJFBYWPPEL-LLVKDONJSA-N -1 1 368.788 2.508 20 30 FFEDMM N#Cc1nc(N[C@@H]2CCCOc3cc(Cl)ccc32)cnc1-c1nn[n-]n1 ZINC001581880648 1079011799 /nfs/dbraw/zinc/01/17/99/1079011799.db2.gz QZWCIJFBYWPPEL-LLVKDONJSA-N -1 1 368.788 2.508 20 30 FFEDMM Cc1cc(C#N)cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC001557005128 1075798182 /nfs/dbraw/zinc/79/81/82/1075798182.db2.gz HXZIYHYXWMSFGK-UHFFFAOYSA-N -1 1 359.389 2.914 20 30 FFEDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)s1 ZINC001561167959 1076341389 /nfs/dbraw/zinc/34/13/89/1076341389.db2.gz JZAFWHXUJLKXMN-JTQLQIEISA-N -1 1 351.409 2.876 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C#N)c1cc(C)cc(C)c1 ZINC001561497780 1076384944 /nfs/dbraw/zinc/38/49/44/1076384944.db2.gz CROFHLHZFOABDV-GOSISDBHSA-N -1 1 372.446 2.676 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)c(Cl)c2)o1 ZINC001561607288 1076397913 /nfs/dbraw/zinc/39/79/13/1076397913.db2.gz BDEGXPYVBRDQRM-UHFFFAOYSA-N -1 1 361.206 2.815 20 30 FFEDMM C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1F ZINC001561713818 1076411305 /nfs/dbraw/zinc/41/13/05/1076411305.db2.gz BBUKFMIRGYFJAJ-QFYYESIMSA-N -1 1 368.817 2.751 20 30 FFEDMM N#Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC001561745488 1076416503 /nfs/dbraw/zinc/41/65/03/1076416503.db2.gz UFCIKMVNYDYHDV-UHFFFAOYSA-N -1 1 365.798 2.641 20 30 FFEDMM COC(=O)[C@]1([N-]S(=O)(=O)CC2(C#N)CCCCC2)CCCC(C)(C)C1 ZINC001561763001 1076419263 /nfs/dbraw/zinc/41/92/63/1076419263.db2.gz RRGZNOMPZKVIEF-SFHVURJKSA-N -1 1 370.515 2.892 20 30 FFEDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)cc1F ZINC001561914536 1076444096 /nfs/dbraw/zinc/44/40/96/1076444096.db2.gz LOVRAJHPXKVOGA-NSHDSACASA-N -1 1 363.370 2.954 20 30 FFEDMM C#C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC001588329078 1079985740 /nfs/dbraw/zinc/98/57/40/1079985740.db2.gz XGPPQJOYIUGTFK-LBPRGKRZSA-N -1 1 373.735 2.749 20 30 FFEDMM C#C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC001588329078 1079985746 /nfs/dbraw/zinc/98/57/46/1079985746.db2.gz XGPPQJOYIUGTFK-LBPRGKRZSA-N -1 1 373.735 2.749 20 30 FFEDMM C#CCN(Cc1ccc(F)cc1)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001588350735 1079992830 /nfs/dbraw/zinc/99/28/30/1079992830.db2.gz NMTQFDZDEWUXBY-UHFFFAOYSA-N -1 1 374.379 2.763 20 30 FFEDMM C=C(C)CSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588429080 1080024729 /nfs/dbraw/zinc/02/47/29/1080024729.db2.gz BPLGTFHQZSDLST-UHFFFAOYSA-N -1 1 356.411 2.706 20 30 FFEDMM C=CC[C@H](CC)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001588541334 1080087691 /nfs/dbraw/zinc/08/76/91/1080087691.db2.gz MOPHPIIWFWMSIZ-NSHDSACASA-N -1 1 370.392 2.668 20 30 FFEDMM C=CC[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1ccncc1 ZINC001588548011 1080090295 /nfs/dbraw/zinc/09/02/95/1080090295.db2.gz BFZVMMGXFSJTEQ-CQSZACIVSA-N -1 1 359.393 2.790 20 30 FFEDMM C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588571264 1080102889 /nfs/dbraw/zinc/10/28/89/1080102889.db2.gz IITYZVVFQYXXEH-IUCAKERBSA-N -1 1 369.882 2.638 20 30 FFEDMM C=C(C)Cn1c(-c2[nH]cnc2C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588576851 1080105047 /nfs/dbraw/zinc/10/50/47/1080105047.db2.gz CHJCBUFGFBJARS-UHFFFAOYSA-N -1 1 358.446 2.634 20 30 FFEDMM C=CCCCCCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588596240 1080117576 /nfs/dbraw/zinc/11/75/76/1080117576.db2.gz KCGFIKQUIHMUIR-UHFFFAOYSA-N -1 1 354.336 2.757 20 30 FFEDMM C=CCc1cc(CNc2nc(-c3nn[n-]n3)ccc2C)cc(OC)c1OC ZINC001588695307 1080159121 /nfs/dbraw/zinc/15/91/21/1080159121.db2.gz UAPVQMFJCITCMY-UHFFFAOYSA-N -1 1 366.425 2.928 20 30 FFEDMM Cc1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c(C)n1 ZINC001588782206 1080193555 /nfs/dbraw/zinc/19/35/55/1080193555.db2.gz POJBNRADTKIYHW-UHFFFAOYSA-N -1 1 354.418 2.901 20 30 FFEDMM C=CCN1CC[C@@H](N(C)Cc2c(C(=O)[O-])sc3cccc(F)c32)C1=O ZINC001588838127 1080214192 /nfs/dbraw/zinc/21/41/92/1080214192.db2.gz CHGAZJNRINAOLP-CYBMUJFWSA-N -1 1 362.426 2.957 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc3cnccc3o2)o1 ZINC001589238441 1080440391 /nfs/dbraw/zinc/44/03/91/1080440391.db2.gz WZBHFUMUBDDRBP-UHFFFAOYSA-N -1 1 352.358 2.739 20 30 FFEDMM CC(C)(CNc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(F)cc1Cl ZINC001589293076 1080467106 /nfs/dbraw/zinc/46/71/06/1080467106.db2.gz OYSGBRMNEMSRIK-UHFFFAOYSA-N -1 1 372.795 2.711 20 30 FFEDMM CC(C)(CNc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(F)cc1Cl ZINC001589293076 1080467109 /nfs/dbraw/zinc/46/71/09/1080467109.db2.gz OYSGBRMNEMSRIK-UHFFFAOYSA-N -1 1 372.795 2.711 20 30 FFEDMM CCN(CC)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccccc1Cl ZINC001589723236 1080687080 /nfs/dbraw/zinc/68/70/80/1080687080.db2.gz XUQNOGJRUSVWCU-MAUKXSAKSA-N -1 1 365.861 2.844 20 30 FFEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@H](c2ccccc2)C1 ZINC001590210422 1081094620 /nfs/dbraw/zinc/09/46/20/1081094620.db2.gz TVIKDIMSFPAFNL-NWANDNLSSA-N -1 1 360.425 2.913 20 30 FFEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@H](c2ccccc2)C1 ZINC001590210422 1081094627 /nfs/dbraw/zinc/09/46/27/1081094627.db2.gz TVIKDIMSFPAFNL-NWANDNLSSA-N -1 1 360.425 2.913 20 30 FFEDMM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[nH]1 ZINC000276912249 256141765 /nfs/dbraw/zinc/14/17/65/256141765.db2.gz JZCGDROSLXOREN-BDAKNGLRSA-N -1 1 369.397 2.508 20 30 FFEDMM Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1F ZINC000193467885 509926624 /nfs/dbraw/zinc/92/66/24/509926624.db2.gz QNHSMPBTKIFLPJ-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055580427 506786595 /nfs/dbraw/zinc/78/65/95/506786595.db2.gz KCNHLILJGVINLV-UHFFFAOYSA-N -1 1 363.826 2.714 20 30 FFEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000057121370 507176275 /nfs/dbraw/zinc/17/62/75/507176275.db2.gz RGMQRXLHNWAHRD-ZDUSSCGKSA-N -1 1 357.435 2.887 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000024347054 507404525 /nfs/dbraw/zinc/40/45/25/507404525.db2.gz NBHHXZVUMPYKEQ-ZDUSSCGKSA-N -1 1 354.431 2.766 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCC#N)cc2)cc1 ZINC000069648971 507528635 /nfs/dbraw/zinc/52/86/35/507528635.db2.gz PRHXHQJPAJDXRR-UHFFFAOYSA-N -1 1 357.435 2.782 20 30 FFEDMM Cn1c([C@@H]2CCCN(C(=O)C=Cc3cccc(C#N)c3)C2)n[n-]c1=S ZINC000078621931 507890062 /nfs/dbraw/zinc/89/00/62/507890062.db2.gz SRWXGCDYNGJHIF-MVGZEHJDSA-N -1 1 353.451 2.769 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657575 507894396 /nfs/dbraw/zinc/89/43/96/507894396.db2.gz SLODNHRXZRVVFM-QVKFZJNVSA-N -1 1 371.481 2.730 20 30 FFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000078998844 507923550 /nfs/dbraw/zinc/92/35/50/507923550.db2.gz FXGJVPYCRZNOHY-UHFFFAOYSA-N -1 1 360.435 2.720 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000076935696 508263596 /nfs/dbraw/zinc/26/35/96/508263596.db2.gz CDXOQLLMTFNXDZ-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1C ZINC000076937754 508264472 /nfs/dbraw/zinc/26/44/72/508264472.db2.gz BNVZEEVPKKUNDI-HSZRJFAPSA-N -1 1 362.476 2.854 20 30 FFEDMM Cc1noc(COc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)n1 ZINC000114313550 508303709 /nfs/dbraw/zinc/30/37/09/508303709.db2.gz UHCQQCWQLYIKLK-UHFFFAOYSA-N -1 1 370.390 2.630 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1 ZINC000114673301 508335472 /nfs/dbraw/zinc/33/54/72/508335472.db2.gz MEIKKVSUAXWYGZ-UHFFFAOYSA-N -1 1 355.419 2.560 20 30 FFEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2)n[nH]1 ZINC000114673891 508335601 /nfs/dbraw/zinc/33/56/01/508335601.db2.gz NJJHXDKWZYIKGC-UHFFFAOYSA-N -1 1 353.407 2.761 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)c1 ZINC000105388356 508372034 /nfs/dbraw/zinc/37/20/34/508372034.db2.gz QTJURCDRCLXVIR-UHFFFAOYSA-N -1 1 370.434 2.588 20 30 FFEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc21 ZINC000134449111 508534213 /nfs/dbraw/zinc/53/42/13/508534213.db2.gz RNEQQZCEERUACF-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)ccn1 ZINC000154009724 508698130 /nfs/dbraw/zinc/69/81/30/508698130.db2.gz UTPNPYRGEVAQMY-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM CCOCc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000124197061 508795479 /nfs/dbraw/zinc/79/54/79/508795479.db2.gz UCSYHAKVORNDSS-UHFFFAOYSA-N -1 1 366.389 2.851 20 30 FFEDMM C=CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000120058956 508918932 /nfs/dbraw/zinc/91/89/32/508918932.db2.gz XGYFBVNUVLXYRH-UHFFFAOYSA-N -1 1 366.464 2.805 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000195525814 509206217 /nfs/dbraw/zinc/20/62/17/509206217.db2.gz GIZBHQZIGFUJGM-OAHLLOKOSA-N -1 1 357.435 2.828 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000179027499 509231521 /nfs/dbraw/zinc/23/15/21/509231521.db2.gz IGSRSSOVRSAJSQ-UHFFFAOYSA-N -1 1 355.419 2.794 20 30 FFEDMM C=CCN(CCOC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000191970644 509270880 /nfs/dbraw/zinc/27/08/80/509270880.db2.gz CPLZFYJHDHQJCF-UHFFFAOYSA-N -1 1 374.462 2.762 20 30 FFEDMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000185657264 509290293 /nfs/dbraw/zinc/29/02/93/509290293.db2.gz VSFJOKNZOCHHIV-QFIPXVFZSA-N -1 1 368.867 2.891 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000265366527 510015697 /nfs/dbraw/zinc/01/56/97/510015697.db2.gz NIMZHHZBBRCILQ-RNODOKPDSA-N -1 1 365.437 2.684 20 30 FFEDMM CC[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000183922846 510040449 /nfs/dbraw/zinc/04/04/49/510040449.db2.gz VNTICNGTZGAUQR-OAHLLOKOSA-N -1 1 357.435 2.909 20 30 FFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000171345338 510094675 /nfs/dbraw/zinc/09/46/75/510094675.db2.gz SHCHRQWFGJSJJJ-UHFFFAOYSA-N -1 1 359.407 2.612 20 30 FFEDMM N#CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000171594748 510243726 /nfs/dbraw/zinc/24/37/26/510243726.db2.gz AILMKAKGUPSDBA-UHFFFAOYSA-N -1 1 357.435 2.911 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](C)C#N)cc2)cc1C ZINC000171848352 510406748 /nfs/dbraw/zinc/40/67/48/510406748.db2.gz APVAPVDJQSYBQY-ZDUSSCGKSA-N -1 1 371.462 2.994 20 30 FFEDMM C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188246958 510666798 /nfs/dbraw/zinc/66/67/98/510666798.db2.gz FRDXMPNJBFQLPI-CQSZACIVSA-N -1 1 353.397 2.922 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000172590628 510809356 /nfs/dbraw/zinc/80/93/56/510809356.db2.gz UGJIMKKOPWSHFY-UHFFFAOYSA-N -1 1 356.382 2.992 20 30 FFEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000172591097 510810522 /nfs/dbraw/zinc/81/05/22/510810522.db2.gz AGPCCDDTTJTOSG-UHFFFAOYSA-N -1 1 358.423 2.809 20 30 FFEDMM CC[C@@H]1OCCC[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000330280760 510956078 /nfs/dbraw/zinc/95/60/78/510956078.db2.gz SYKQSVFSXNAQFS-CJNGLKHVSA-N -1 1 368.455 2.626 20 30 FFEDMM C#CCn1ccc(CN(CC)C(=O)c2cc(Cl)c([O-])c(OCC)c2)n1 ZINC000279077570 511018645 /nfs/dbraw/zinc/01/86/45/511018645.db2.gz GZVCRTDKKGIKSQ-UHFFFAOYSA-N -1 1 361.829 2.936 20 30 FFEDMM CC(C)[C@@H](C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271326428 511163896 /nfs/dbraw/zinc/16/38/96/511163896.db2.gz VEOHXMWMNFEAHX-LLVKDONJSA-N -1 1 359.304 2.781 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)ccc1C(F)(F)F ZINC000285117714 512006134 /nfs/dbraw/zinc/00/61/34/512006134.db2.gz OVRLCLMRJIPYMN-UHFFFAOYSA-N -1 1 371.344 2.763 20 30 FFEDMM CC(=O)c1ccc(C#N)c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281923482 512012495 /nfs/dbraw/zinc/01/24/95/512012495.db2.gz QOAYNFDMXGUXKK-UHFFFAOYSA-N -1 1 353.344 2.656 20 30 FFEDMM CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000376359079 512784408 /nfs/dbraw/zinc/78/44/08/512784408.db2.gz MAOPHLYYKMQIQN-WBMJQRKESA-N -1 1 365.480 2.574 20 30 FFEDMM C#CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000376779506 512983726 /nfs/dbraw/zinc/98/37/26/512983726.db2.gz PSKNUPHNBSLYLP-SFHVURJKSA-N -1 1 350.418 2.680 20 30 FFEDMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(C#N)cc1 ZINC000439944208 513215227 /nfs/dbraw/zinc/21/52/27/513215227.db2.gz PKUSIOKLHIXXJH-UHFFFAOYSA-N -1 1 361.423 2.505 20 30 FFEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1C#N ZINC000435145267 513522723 /nfs/dbraw/zinc/52/27/23/513522723.db2.gz PUWBPAOLOAOHTC-UHFFFAOYSA-N -1 1 373.390 2.993 20 30 FFEDMM CCOc1c(OC)cc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000442947335 513823189 /nfs/dbraw/zinc/82/31/89/513823189.db2.gz VIXXGAZVOHBAOH-UHFFFAOYSA-N -1 1 356.378 2.610 20 30 FFEDMM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000442949760 513824598 /nfs/dbraw/zinc/82/45/98/513824598.db2.gz WWHIEAGPWVSGHG-UHFFFAOYSA-N -1 1 374.400 2.626 20 30 FFEDMM C=Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1 ZINC000436480740 513868641 /nfs/dbraw/zinc/86/86/41/513868641.db2.gz XLQKYCDLKWJGSF-UHFFFAOYSA-N -1 1 365.418 2.770 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cc(Br)cc3c2OCC3)cc1[O-] ZINC000443133674 513882866 /nfs/dbraw/zinc/88/28/66/513882866.db2.gz VRVDKDGCFGBQIB-UHFFFAOYSA-N -1 1 373.206 2.891 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(F)F ZINC000451692325 513914089 /nfs/dbraw/zinc/91/40/89/513914089.db2.gz SUHXNQMNBRQGGM-SSDOTTSWSA-N -1 1 353.188 2.643 20 30 FFEDMM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)ccc2NC1=O ZINC000443296630 513924891 /nfs/dbraw/zinc/92/48/91/513924891.db2.gz QBXLWDJJFOMYTR-PIGZYNQJSA-N -1 1 365.389 2.864 20 30 FFEDMM C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000448869022 513941652 /nfs/dbraw/zinc/94/16/52/513941652.db2.gz MOOFQSLOHQBAQQ-AUUYWEPGSA-N -1 1 369.446 2.653 20 30 FFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000443423365 513965874 /nfs/dbraw/zinc/96/58/74/513965874.db2.gz QKKOGMMHMCYOEL-UHFFFAOYSA-N -1 1 370.430 2.832 20 30 FFEDMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427121310 514122926 /nfs/dbraw/zinc/12/29/26/514122926.db2.gz IBKIMLJUIZECFL-UHFFFAOYSA-N -1 1 371.397 2.777 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc(C)c1C ZINC000427200157 514149080 /nfs/dbraw/zinc/14/90/80/514149080.db2.gz NONOMZKZPRHGEW-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)C#N)c2)cc1 ZINC000432349962 514169376 /nfs/dbraw/zinc/16/93/76/514169376.db2.gz YULQPTCGIPAZOY-ZDUSSCGKSA-N -1 1 373.434 2.528 20 30 FFEDMM CC#CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000452169158 514226388 /nfs/dbraw/zinc/22/63/88/514226388.db2.gz NVKWRNVZDLCEBV-SFHVURJKSA-N -1 1 350.418 2.632 20 30 FFEDMM COCn1nc(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)c1C ZINC000424065707 514365092 /nfs/dbraw/zinc/36/50/92/514365092.db2.gz MFJUCHXTHCSSPR-UHFFFAOYSA-N -1 1 368.846 2.624 20 30 FFEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000470575762 514535500 /nfs/dbraw/zinc/53/55/00/514535500.db2.gz ZTNGTOTYZPHZFG-QGZVFWFLSA-N -1 1 357.435 2.765 20 30 FFEDMM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000508069030 514655101 /nfs/dbraw/zinc/65/51/01/514655101.db2.gz PIXYFBLVFOMFHT-CYBMUJFWSA-N -1 1 351.255 2.899 20 30 FFEDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SCCC#N)o1 ZINC000498099230 514760230 /nfs/dbraw/zinc/76/02/30/514760230.db2.gz UXLRRLYSOXSLBT-UHFFFAOYSA-N -1 1 350.421 2.941 20 30 FFEDMM COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467140465 514915104 /nfs/dbraw/zinc/91/51/04/514915104.db2.gz DZAYSLJRXUYRAJ-SNVBAGLBSA-N -1 1 352.362 2.885 20 30 FFEDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000471939430 515061772 /nfs/dbraw/zinc/06/17/72/515061772.db2.gz DOUSNKOHULZTMS-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM Cc1c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cnn1-c1ccccn1 ZINC000481615091 515405678 /nfs/dbraw/zinc/40/56/78/515405678.db2.gz XVVIBPXIVMJEAL-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM C[C@@H](CS(=O)(=O)[N-]c1cnn(-c2ncccc2C#N)c1)c1ccccc1 ZINC000460790838 516250453 /nfs/dbraw/zinc/25/04/53/516250453.db2.gz DFRWBRUDSDSZKE-AWEZNQCLSA-N -1 1 367.434 2.684 20 30 FFEDMM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000555156382 516809073 /nfs/dbraw/zinc/80/90/73/516809073.db2.gz HGMVQGRYPRQBPQ-UHFFFAOYSA-N -1 1 350.371 2.523 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C)C#N)c1 ZINC000521141750 517626838 /nfs/dbraw/zinc/62/68/38/517626838.db2.gz BYMWYALNYUHILS-ZDUSSCGKSA-N -1 1 371.462 2.994 20 30 FFEDMM Cc1cc(Cl)ccc1OCCC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553462396 517726372 /nfs/dbraw/zinc/72/63/72/517726372.db2.gz PDWUWKXZDAHYIZ-UHFFFAOYSA-N -1 1 354.815 2.861 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCC(=O)N3)n1 ZINC000516795676 517846771 /nfs/dbraw/zinc/84/67/71/517846771.db2.gz TVGPOOMPMZMDIN-LBPRGKRZSA-N -1 1 369.402 2.695 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCC#N)c2)c1 ZINC000543387455 518063462 /nfs/dbraw/zinc/06/34/62/518063462.db2.gz FWKQKRJQGSAKMZ-UHFFFAOYSA-N -1 1 357.435 2.829 20 30 FFEDMM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2)o1 ZINC000539587124 518111897 /nfs/dbraw/zinc/11/18/97/518111897.db2.gz TUPHGRWVKBUNJN-HNNXBMFYSA-N -1 1 363.377 2.780 20 30 FFEDMM N#CC(=C([O-])c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccncn1 ZINC000567601911 518608108 /nfs/dbraw/zinc/60/81/08/518608108.db2.gz IYHWYCALFWWDAR-HNNXBMFYSA-N -1 1 364.792 2.830 20 30 FFEDMM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000586842079 518662010 /nfs/dbraw/zinc/66/20/10/518662010.db2.gz LHGZCDLYNQTNQN-GFCCVEGCSA-N -1 1 358.419 2.548 20 30 FFEDMM COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589188467 518945576 /nfs/dbraw/zinc/94/55/76/518945576.db2.gz BOZCXBSHZBUICE-UHFFFAOYSA-N -1 1 373.796 2.684 20 30 FFEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1-c1nnnn1C1CC1 ZINC000589201946 518949453 /nfs/dbraw/zinc/94/94/53/518949453.db2.gz PBPQYOSFJAURNU-UHFFFAOYSA-N -1 1 360.377 2.813 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)CCC1 ZINC000577325175 519022314 /nfs/dbraw/zinc/02/23/14/519022314.db2.gz ACQUOCCFXSHCIP-UHFFFAOYSA-N -1 1 366.830 2.503 20 30 FFEDMM CC#CCN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000577978953 519353331 /nfs/dbraw/zinc/35/33/31/519353331.db2.gz UMTUPBUERQKCMZ-UHFFFAOYSA-N -1 1 374.437 2.651 20 30 FFEDMM N#CCc1ccc(CS(=O)(=O)[N-]c2cccc(OCC(F)F)n2)cc1 ZINC000583812770 519448236 /nfs/dbraw/zinc/44/82/36/519448236.db2.gz TUKYKCJEAOIRAG-UHFFFAOYSA-N -1 1 367.377 2.733 20 30 FFEDMM COc1cc2[n-]cc(C(=O)NCC(C)(C)CCC#N)c(=O)c2c(OC)c1 ZINC000599942142 519961905 /nfs/dbraw/zinc/96/19/05/519961905.db2.gz QDPHFYDYCKISBT-UHFFFAOYSA-N -1 1 357.410 2.605 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c1 ZINC000616495808 520039912 /nfs/dbraw/zinc/03/99/12/520039912.db2.gz KCDOJJZNKYKQMG-UHFFFAOYSA-N -1 1 359.389 2.645 20 30 FFEDMM CCC[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000608815775 520136266 /nfs/dbraw/zinc/13/62/66/520136266.db2.gz HPMUZLXJNLLERR-INIZCTEOSA-N -1 1 357.435 2.909 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)ccc1Cl ZINC000608909077 520161571 /nfs/dbraw/zinc/16/15/71/520161571.db2.gz QLGSTSJCQNJQOX-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM C[C@H](C#N)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000609492219 520332210 /nfs/dbraw/zinc/33/22/10/520332210.db2.gz DTSNZTAPBMBANU-GFCCVEGCSA-N -1 1 361.398 2.516 20 30 FFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000609609306 520376200 /nfs/dbraw/zinc/37/62/00/520376200.db2.gz RWXXXQXXTWEDEB-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM C[C@@H](C#N)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000609919705 520481837 /nfs/dbraw/zinc/48/18/37/520481837.db2.gz DWYFRDARDHMZMP-JTQLQIEISA-N -1 1 365.361 2.864 20 30 FFEDMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295643 520895651 /nfs/dbraw/zinc/89/56/51/520895651.db2.gz WIGJQSPLEVSBFD-GFCCVEGCSA-N -1 1 358.419 2.501 20 30 FFEDMM Cc1ccc(NCCCNC(=O)c2cc([O-])cc(C#N)c2)c([N+](=O)[O-])c1 ZINC000614370099 520930331 /nfs/dbraw/zinc/93/03/31/520930331.db2.gz ZYPKPUSTVPSEGH-UHFFFAOYSA-N -1 1 354.366 2.713 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccccc1 ZINC000611107651 520988178 /nfs/dbraw/zinc/98/81/78/520988178.db2.gz CRPDOAVXMXTYNE-AWEZNQCLSA-N -1 1 364.427 2.797 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1NC(C)=O ZINC000619461833 521579751 /nfs/dbraw/zinc/57/97/51/521579751.db2.gz QRWMGSWHTUGMJL-UHFFFAOYSA-N -1 1 359.407 2.520 20 30 FFEDMM C#CCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735375281 598823767 /nfs/dbraw/zinc/82/37/67/598823767.db2.gz WUYWPMKAROFUMQ-UHFFFAOYSA-N -1 1 351.341 2.551 20 30 FFEDMM C#CCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735375281 598823769 /nfs/dbraw/zinc/82/37/69/598823769.db2.gz WUYWPMKAROFUMQ-UHFFFAOYSA-N -1 1 351.341 2.551 20 30 FFEDMM COc1ccc(C=C2Oc3cc([O-])cc(C)c3C2=O)cc1-c1nn[nH]n1 ZINC000737082979 599155902 /nfs/dbraw/zinc/15/59/02/599155902.db2.gz LZBGTNZYVIQMED-CHHVJCJISA-N -1 1 350.334 2.506 20 30 FFEDMM CN=c1scc(-c2ccccc2C)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000736867505 599324087 /nfs/dbraw/zinc/32/40/87/599324087.db2.gz LKXRZVXXXCTYPW-UHFFFAOYSA-N -1 1 365.422 2.711 20 30 FFEDMM CN=c1scc(-c2ccccc2C)n1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000736867505 599324091 /nfs/dbraw/zinc/32/40/91/599324091.db2.gz LKXRZVXXXCTYPW-UHFFFAOYSA-N -1 1 365.422 2.711 20 30 FFEDMM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1ccc(Br)cn1 ZINC000738922987 600056266 /nfs/dbraw/zinc/05/62/66/600056266.db2.gz OYSZECFMMMHTRJ-UHFFFAOYSA-N -1 1 366.219 2.578 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])c1C#N ZINC000738252566 600362998 /nfs/dbraw/zinc/36/29/98/600362998.db2.gz FVKQFFJJMQAXSA-GFCCVEGCSA-N -1 1 360.458 2.683 20 30 FFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000739105398 600565402 /nfs/dbraw/zinc/56/54/02/600565402.db2.gz LVTAPHLTDQRYAM-QGZVFWFLSA-N -1 1 369.446 2.594 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000738363952 601033152 /nfs/dbraw/zinc/03/31/52/601033152.db2.gz PHHJQOQKMBOPGZ-IRXDYDNUSA-N -1 1 357.454 2.735 20 30 FFEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000830059804 601327653 /nfs/dbraw/zinc/32/76/53/601327653.db2.gz QQAIEWHUVSOEJD-POHAHGRESA-N -1 1 372.402 2.856 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1C#N ZINC000832849507 601524563 /nfs/dbraw/zinc/52/45/63/601524563.db2.gz HMXWHHBQGBCQGK-PXAZEXFGSA-N -1 1 372.469 2.683 20 30 FFEDMM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(CCC(=O)[O-])CC1 ZINC000828206591 601845734 /nfs/dbraw/zinc/84/57/34/601845734.db2.gz BDPLIFVGTHPPHP-NGEICVOHSA-N -1 1 363.502 2.883 20 30 FFEDMM Cc1sc(NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)c(C#N)c1C ZINC000830957516 603971692 /nfs/dbraw/zinc/97/16/92/603971692.db2.gz QDULCLRXUSQZJL-UHFFFAOYSA-N -1 1 364.471 2.686 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C2CCN(C(=O)[O-])CC2)c1 ZINC000830003458 603992551 /nfs/dbraw/zinc/99/25/51/603992551.db2.gz HSTPOTDOGLSFBN-UHFFFAOYSA-N -1 1 372.469 2.624 20 30 FFEDMM CCN(C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1)CC(F)(F)F ZINC000833654381 604613584 /nfs/dbraw/zinc/61/35/84/604613584.db2.gz NKXRMRWKEHEUHN-ZDUSSCGKSA-N -1 1 369.387 2.963 20 30 FFEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(OCC(=O)N(C)C)cc1 ZINC000812444374 605100718 /nfs/dbraw/zinc/10/07/18/605100718.db2.gz FGSXRTHVTZZHJU-UHFFFAOYSA-N -1 1 355.394 2.688 20 30 FFEDMM N#CC(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccc(Cl)cc1 ZINC000833961720 605487538 /nfs/dbraw/zinc/48/75/38/605487538.db2.gz UKUNSCGBDMKRNW-BXUZGUMPSA-N -1 1 363.801 2.767 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833788126 605558004 /nfs/dbraw/zinc/55/80/04/605558004.db2.gz NVKPYEQBZIIBIN-ILXRZTDVSA-N -1 1 365.499 2.629 20 30 FFEDMM C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CCN(C)C(=O)[O-])CC1 ZINC000833791648 605654312 /nfs/dbraw/zinc/65/43/12/605654312.db2.gz VXJPLPARYZXZFT-CQSZACIVSA-N -1 1 358.442 2.597 20 30 FFEDMM Brc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)nc1 ZINC000819689332 606369945 /nfs/dbraw/zinc/36/99/45/606369945.db2.gz ZQYMLOOWONZALG-UHFFFAOYSA-N -1 1 350.205 2.532 20 30 FFEDMM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)s1)CCCC2 ZINC000822819082 606489188 /nfs/dbraw/zinc/48/91/88/606489188.db2.gz KFZZEVVAXZNUEL-UHFFFAOYSA-N -1 1 356.436 2.992 20 30 FFEDMM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)s1)CCCC2 ZINC000822819082 606489189 /nfs/dbraw/zinc/48/91/89/606489189.db2.gz KFZZEVVAXZNUEL-UHFFFAOYSA-N -1 1 356.436 2.992 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCOc3cc4c(cc32)CCC4)o1 ZINC000822423775 607171323 /nfs/dbraw/zinc/17/13/23/607171323.db2.gz OLCJXYDXSVOFKY-UHFFFAOYSA-N -1 1 365.397 2.641 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(C)cc2Br)o1 ZINC000826286659 607807909 /nfs/dbraw/zinc/80/79/09/607807909.db2.gz LANXSSFIBMJVOS-UHFFFAOYSA-N -1 1 362.191 2.680 20 30 FFEDMM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400688 608092247 /nfs/dbraw/zinc/09/22/47/608092247.db2.gz FHPBDZACMLVNNI-AATRIKPKSA-N -1 1 354.391 2.986 20 30 FFEDMM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400688 608092248 /nfs/dbraw/zinc/09/22/48/608092248.db2.gz FHPBDZACMLVNNI-AATRIKPKSA-N -1 1 354.391 2.986 20 30 FFEDMM N#CCCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000543189848 673632089 /nfs/dbraw/zinc/63/20/89/673632089.db2.gz ONNJFIXMZFSCGX-UHFFFAOYSA-N -1 1 352.366 2.876 20 30 FFEDMM N#C[C@H](C(=O)C1=COCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000158392497 728887740 /nfs/dbraw/zinc/88/77/40/728887740.db2.gz ADMQTOYLQDLWMH-GFCCVEGCSA-N -1 1 355.419 2.734 20 30 FFEDMM C[C@@H]1CC(=NNc2nc3[nH][n-]cc-3c(=O)n2)c2cccc(Br)c21 ZINC000743441186 735297717 /nfs/dbraw/zinc/29/77/17/735297717.db2.gz DLRXROQQOBRCLQ-SSDOTTSWSA-N -1 1 373.214 2.518 20 30 FFEDMM C[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000023416398 727846005 /nfs/dbraw/zinc/84/60/05/727846005.db2.gz NAPHCFUPUUNJEO-SNVBAGLBSA-N -1 1 366.345 2.834 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCC(F)(F)F)cc2)c(=O)o1 ZINC000255168742 729633778 /nfs/dbraw/zinc/63/37/78/729633778.db2.gz RPWCCNXWXGHEOS-IJVDHGTGSA-N -1 1 354.280 2.856 20 30 FFEDMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccc1O[C@H](C)C#N ZINC000779849535 738489799 /nfs/dbraw/zinc/48/97/99/738489799.db2.gz WFLHMGUJFLHAGA-LLVKDONJSA-N -1 1 360.391 2.785 20 30 FFEDMM Cn1ncc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c1C(F)(F)F ZINC000866996901 731129739 /nfs/dbraw/zinc/12/97/39/731129739.db2.gz FFVFPFRVDNDKLC-GFCCVEGCSA-N -1 1 372.372 2.762 20 30 FFEDMM C=C(C)[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccc(F)c(F)c1 ZINC000867122031 731146499 /nfs/dbraw/zinc/14/64/99/731146499.db2.gz JWCRUMBGWULYCN-CQSZACIVSA-N -1 1 364.439 2.678 20 30 FFEDMM C=C(Cl)C[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)OCC ZINC000870027739 731463655 /nfs/dbraw/zinc/46/36/55/731463655.db2.gz ZJIYGTQDGCQCNW-NSHDSACASA-N -1 1 362.209 2.858 20 30 FFEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCc2cc(C#N)ccc21 ZINC000872497994 731781310 /nfs/dbraw/zinc/78/13/10/731781310.db2.gz PRNJTHJDOUYHLW-CMJOXMDJSA-N -1 1 369.512 2.666 20 30 FFEDMM C#CCN(CC(=O)Nc1cc(F)c([O-])cc1Cl)C(=O)OC(C)(C)C ZINC000885680365 733695972 /nfs/dbraw/zinc/69/59/72/733695972.db2.gz PSFCQPGUYDYCPH-UHFFFAOYSA-N -1 1 356.781 2.994 20 30 FFEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2cccc(C3OCCO3)c2)cc1 ZINC000886426119 733789302 /nfs/dbraw/zinc/78/93/02/733789302.db2.gz IWLMVEMPXCEWIL-UHFFFAOYSA-N -1 1 358.419 2.989 20 30 FFEDMM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759362 734336930 /nfs/dbraw/zinc/33/69/30/734336930.db2.gz KESGOUVVAWUYHW-KRWDZBQOSA-N -1 1 352.818 2.923 20 30 FFEDMM C#C[C@H](NC(=O)c1ccc(I)c([O-])c1)C(C)(C)C ZINC000702256475 734356152 /nfs/dbraw/zinc/35/61/52/734356152.db2.gz LSKXVQWCRBMEKZ-LBPRGKRZSA-N -1 1 357.191 2.775 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 ZINC000730996617 734661367 /nfs/dbraw/zinc/66/13/67/734661367.db2.gz VWDMSATVGFDGGR-UHFFFAOYSA-N -1 1 359.403 2.594 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(SC)o2)cc1OC ZINC000732901370 734773771 /nfs/dbraw/zinc/77/37/71/734773771.db2.gz PBXRUUBNGRJKGK-NSHDSACASA-N -1 1 360.391 2.980 20 30 FFEDMM CCOc1cccc(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000748248832 735630192 /nfs/dbraw/zinc/63/01/92/735630192.db2.gz YYRDOXQDBWAFLW-UHFFFAOYSA-N -1 1 363.395 2.696 20 30 FFEDMM CCCCO[C@@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000748254579 735630688 /nfs/dbraw/zinc/63/06/88/735630688.db2.gz CATDDWBFJWBVAH-OAHLLOKOSA-N -1 1 369.443 2.844 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(Cl)c(F)c1 ZINC000748252234 735630817 /nfs/dbraw/zinc/63/08/17/735630817.db2.gz CEKVDMMFOIFJKG-UHFFFAOYSA-N -1 1 357.750 2.700 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1 ZINC000749156909 735699202 /nfs/dbraw/zinc/69/92/02/735699202.db2.gz JFHHEJGWYDGJOJ-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C#N)s2)cc1OC ZINC000750687318 735809960 /nfs/dbraw/zinc/80/99/60/735809960.db2.gz MQEAJXPJNZMJJU-GFCCVEGCSA-N -1 1 355.375 2.598 20 30 FFEDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C#N)sc3ccccc32)c2nccn21 ZINC000907232291 736599953 /nfs/dbraw/zinc/59/99/53/736599953.db2.gz MRAHZFAEFNOOPK-ZYHUDNBSSA-N -1 1 358.448 2.954 20 30 FFEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000908644001 736807805 /nfs/dbraw/zinc/80/78/05/736807805.db2.gz FCUZHYIWSIAPPY-CQSZACIVSA-N -1 1 363.483 2.671 20 30 FFEDMM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000763381168 736934235 /nfs/dbraw/zinc/93/42/35/736934235.db2.gz IRXBMRUBSXUQJB-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM C[C@@H](C#N)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000770936067 737676775 /nfs/dbraw/zinc/67/67/75/737676775.db2.gz HOMLYOQBQSYOOD-LBPRGKRZSA-N -1 1 362.382 2.943 20 30 FFEDMM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(O)c(Cl)c2)n1 ZINC000921249773 737955355 /nfs/dbraw/zinc/95/53/55/737955355.db2.gz DRBIBEAJOIIMPN-SNVBAGLBSA-N -1 1 350.783 2.844 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cccc(C#N)c1F ZINC000774938751 738042376 /nfs/dbraw/zinc/04/23/76/738042376.db2.gz WZIWOCOXENDDEJ-UHFFFAOYSA-N -1 1 362.382 2.816 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000776345444 738185116 /nfs/dbraw/zinc/18/51/16/738185116.db2.gz DUFSEIWJRAOFOD-HNNXBMFYSA-N -1 1 350.296 2.746 20 30 FFEDMM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000778008609 738342156 /nfs/dbraw/zinc/34/21/56/738342156.db2.gz BSBGMHNIPAAACO-UHFFFAOYSA-N -1 1 360.197 2.878 20 30 FFEDMM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc2cncn2c1 ZINC000793281104 739761674 /nfs/dbraw/zinc/76/16/74/739761674.db2.gz QEBQNHVYEFFJSU-INIZCTEOSA-N -1 1 352.781 2.627 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1C#N ZINC000793367788 739774820 /nfs/dbraw/zinc/77/48/20/739774820.db2.gz NSJYNTCYXHRTDF-UHFFFAOYSA-N -1 1 360.414 2.802 20 30 FFEDMM COC(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2Br)[n-]1 ZINC000796344373 740133905 /nfs/dbraw/zinc/13/39/05/740133905.db2.gz JSKHGDJWIDNDMZ-UHFFFAOYSA-N -1 1 363.167 2.792 20 30 FFEDMM C=CCOCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000797325402 740236505 /nfs/dbraw/zinc/23/65/05/740236505.db2.gz WQPANRNCWQYPEK-UHFFFAOYSA-N -1 1 361.419 2.847 20 30 FFEDMM CC(C)(C)[C@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CS1 ZINC000814865463 741870824 /nfs/dbraw/zinc/87/08/24/741870824.db2.gz SGNWEFYZFPCEPJ-CYBMUJFWSA-N -1 1 357.457 2.781 20 30 FFEDMM C=CCCCNC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817780026 742212017 /nfs/dbraw/zinc/21/20/17/742212017.db2.gz BWPDRRGRWLEJJE-ZDUSSCGKSA-N -1 1 355.360 2.772 20 30 FFEDMM C=CCSc1ccccc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831129358 745486498 /nfs/dbraw/zinc/48/64/98/745486498.db2.gz BXAWJMJRGJBGQL-UHFFFAOYSA-N -1 1 358.385 2.715 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC000841572059 747408699 /nfs/dbraw/zinc/40/86/99/747408699.db2.gz KSMLUGLWQIZZAB-UHFFFAOYSA-N -1 1 364.210 2.874 20 30 FFEDMM Cc1csc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C#N ZINC000847186759 748639045 /nfs/dbraw/zinc/63/90/45/748639045.db2.gz HPMXODUMYXFIEJ-UHFFFAOYSA-N -1 1 374.388 2.851 20 30 FFEDMM N#CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000487343516 845916778 /nfs/dbraw/zinc/91/67/78/845916778.db2.gz UMKVQZBSXALHBT-UHFFFAOYSA-N -1 1 358.044 2.948 20 30 FFEDMM N#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000490679311 845920992 /nfs/dbraw/zinc/92/09/92/845920992.db2.gz YLGHLYDGFXBEIR-UHFFFAOYSA-N -1 1 363.826 2.784 20 30 FFEDMM CN1CCc2c(C#N)c(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)sc2C1 ZINC001174502771 1013241911 /nfs/dbraw/zinc/24/19/11/1013241911.db2.gz GXZXYIPBDCQTGS-UHFFFAOYSA-N -1 1 358.379 2.958 20 30 FFEDMM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000909127700 981629924 /nfs/dbraw/zinc/62/99/24/981629924.db2.gz XCFGMCGYKPVCID-AWEZNQCLSA-N -1 1 373.375 2.590 20 30 FFEDMM C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000909220171 981657747 /nfs/dbraw/zinc/65/77/47/981657747.db2.gz OCJZGJRQJHKNNX-CYBMUJFWSA-N -1 1 356.430 2.577 20 30 FFEDMM C#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000172933179 985719313 /nfs/dbraw/zinc/71/93/13/985719313.db2.gz JNRORAIVURRTHL-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM C#CCn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1ccccc1C#N ZINC000917645318 990254561 /nfs/dbraw/zinc/25/45/61/990254561.db2.gz JCLUABKBAKFPSQ-UHFFFAOYSA-N -1 1 374.425 2.758 20 30 FFEDMM CN(Cc1ccc(Br)cc1C#N)[C@H](COC1CCC1)C(=O)[O-] ZINC001598518791 992653204 /nfs/dbraw/zinc/65/32/04/992653204.db2.gz ADRAKXISWKWVJW-OAHLLOKOSA-N -1 1 367.243 2.775 20 30 FFEDMM COc1ccccc1[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nccn1C ZINC000809581852 994540241 /nfs/dbraw/zinc/54/02/41/994540241.db2.gz PMMBMGKGRBVGGJ-GOSISDBHSA-N -1 1 362.389 2.525 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000809641905 994564218 /nfs/dbraw/zinc/56/42/18/994564218.db2.gz WYKKOFUBLSLGMY-HNNXBMFYSA-N -1 1 366.295 2.626 20 30 FFEDMM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000809732844 994585337 /nfs/dbraw/zinc/58/53/37/994585337.db2.gz LTMOOZPDSLWYKJ-GXTWGEPZSA-N -1 1 359.426 2.639 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000812024329 995325989 /nfs/dbraw/zinc/32/59/89/995325989.db2.gz MEWLLNFQDROILG-HNNXBMFYSA-N -1 1 371.462 2.651 20 30 FFEDMM Cc1ccc(COc2ccc(C=NNc3nc4[nH][n-]cc-4c(=O)n3)cc2)cc1 ZINC000731155114 997717800 /nfs/dbraw/zinc/71/78/00/997717800.db2.gz SYISQXWCWZTYAW-UHFFFAOYSA-N -1 1 374.404 2.765 20 30 FFEDMM CCc1cccc2c1NC(=O)C2=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000733077616 998864112 /nfs/dbraw/zinc/86/41/12/998864112.db2.gz FMKUSPDCADIPPA-UHFFFAOYSA-N -1 1 355.310 2.834 20 30 FFEDMM CCOC(=O)CCOc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000744996482 999886915 /nfs/dbraw/zinc/88/69/15/999886915.db2.gz AXHGZRYLBXHJCI-UHFFFAOYSA-N -1 1 358.398 2.659 20 30 FFEDMM COc1ccc(C=NNc2nc(C)cc(=O)[n-]2)c(OCc2cccnc2)c1 ZINC000766424572 999992275 /nfs/dbraw/zinc/99/22/75/999992275.db2.gz MYCYPLODLUCKMT-UHFFFAOYSA-N -1 1 365.393 2.919 20 30 FFEDMM COCCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c(Cl)c1 ZINC000770842416 1000936158 /nfs/dbraw/zinc/93/61/58/1000936158.db2.gz UNGOTGSIENCJDJ-AWEZNQCLSA-N -1 1 373.796 2.721 20 30 FFEDMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001186714765 1003396108 /nfs/dbraw/zinc/39/61/08/1003396108.db2.gz NGRICNJJLOCUOG-PELKAZGASA-N -1 1 361.236 2.927 20 30 FFEDMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001186714766 1003397538 /nfs/dbraw/zinc/39/75/38/1003397538.db2.gz NGRICNJJLOCUOG-PRHODGIISA-N -1 1 361.236 2.927 20 30 FFEDMM CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000794167208 1003576598 /nfs/dbraw/zinc/57/65/98/1003576598.db2.gz GJVFLADMYFGKOD-UHFFFAOYSA-N -1 1 371.437 2.951 20 30 FFEDMM C=C(C)C(=O)NCCCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196321254 1003742300 /nfs/dbraw/zinc/74/23/00/1003742300.db2.gz XZAODNYEAODWOW-UHFFFAOYSA-N -1 1 363.417 2.743 20 30 FFEDMM C#CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000804835783 1003869794 /nfs/dbraw/zinc/86/97/94/1003869794.db2.gz AFXBINOQHNJNKW-UHFFFAOYSA-N -1 1 374.462 2.632 20 30 FFEDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(F)c1 ZINC001196690401 1003935801 /nfs/dbraw/zinc/93/58/01/1003935801.db2.gz LQSSCMSKUQDDHS-UHFFFAOYSA-N -1 1 367.789 2.511 20 30 FFEDMM O=S(=O)([N-]CCCS)c1cc(Cl)c(Br)cc1F ZINC001196834901 1003975330 /nfs/dbraw/zinc/97/53/30/1003975330.db2.gz XCTLQWOOWIZYIU-UHFFFAOYSA-N -1 1 362.673 2.840 20 30 FFEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)c1 ZINC001197271603 1004150692 /nfs/dbraw/zinc/15/06/92/1004150692.db2.gz OABGKEVLZHEUEL-UHFFFAOYSA-N -1 1 362.208 2.993 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ncncc2Cl)ccc1Br ZINC001197279414 1004160937 /nfs/dbraw/zinc/16/09/37/1004160937.db2.gz ZMTVDTAIEYQTLF-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1c(F)ccc([O-])c1F)CCO2 ZINC001192536690 1004199903 /nfs/dbraw/zinc/19/99/03/1004199903.db2.gz YHGJIENJTNMCLW-BFUOFWGJSA-N -1 1 367.392 2.884 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1[C@H]1Cc3ccccc3CN1CC2 ZINC001193151282 1004392621 /nfs/dbraw/zinc/39/26/21/1004392621.db2.gz PINJVVCRDSIZPG-IFXJQAMLSA-N -1 1 367.474 2.996 20 30 FFEDMM CC(C)Oc1nccnc1C(=O)[N-]c1c(C#N)cnnc1-c1ccccc1 ZINC001198049002 1004456610 /nfs/dbraw/zinc/45/66/10/1004456610.db2.gz NDXYDTCCSIRHHV-UHFFFAOYSA-N -1 1 360.377 2.845 20 30 FFEDMM Cc1cc(O)cc([O-])c1C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC001193946047 1004626346 /nfs/dbraw/zinc/62/63/46/1004626346.db2.gz MYETUKHNCCPMKY-UHFFFAOYSA-N -1 1 357.749 2.666 20 30 FFEDMM C#CC(CC)(CC)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001198500733 1004639209 /nfs/dbraw/zinc/63/92/09/1004639209.db2.gz ILEZOTAGNUTHPX-UHFFFAOYSA-N -1 1 365.680 2.968 20 30 FFEDMM CN1CCN(c2ccc(C(=O)Nc3cc(C#N)c(F)cc3[O-])c(F)c2)CC1 ZINC001194538903 1004755927 /nfs/dbraw/zinc/75/59/27/1004755927.db2.gz WFEAMXQSWSQQCR-UHFFFAOYSA-N -1 1 372.375 2.546 20 30 FFEDMM N#CC12CCC([N-]S(=O)(=O)c3ncccc3C(F)(F)F)(CC1)CC2 ZINC001194586657 1004767854 /nfs/dbraw/zinc/76/78/54/1004767854.db2.gz ORTVHNOYEDBJRK-UHFFFAOYSA-N -1 1 359.373 2.995 20 30 FFEDMM Cc1cc(C)c(Cn2ccc(C=N[O-])nc2=O)c(OCc2ccccc2)n1 ZINC000808258027 1004783128 /nfs/dbraw/zinc/78/31/28/1004783128.db2.gz SXXFJWPLGDLWDZ-UHFFFAOYSA-N -1 1 364.405 2.691 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)NCCc2c(F)cc([O-])cc2F)c(Cl)c1 ZINC001195279177 1004929935 /nfs/dbraw/zinc/92/99/35/1004929935.db2.gz MROQFMUGHLVSLZ-UHFFFAOYSA-N -1 1 372.780 2.716 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CNC(=O)C3(C)C)cc1C#N ZINC001201322575 1005199826 /nfs/dbraw/zinc/19/98/26/1005199826.db2.gz PBLKCVKTJHVPRW-UHFFFAOYSA-N -1 1 369.446 2.575 20 30 FFEDMM C=CCOc1cccnc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000775113274 1006043053 /nfs/dbraw/zinc/04/30/53/1006043053.db2.gz QZQIHMMPENHMBN-UHFFFAOYSA-N -1 1 353.330 2.815 20 30 FFEDMM CSc1ncc(Br)c(C(=O)[N-]c2occ(C)c2C#N)n1 ZINC001188448308 1006574953 /nfs/dbraw/zinc/57/49/53/1006574953.db2.gz FSFWWJXUTJHJDZ-UHFFFAOYSA-N -1 1 353.201 2.986 20 30 FFEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)o1 ZINC000815908498 1006820899 /nfs/dbraw/zinc/82/08/99/1006820899.db2.gz CQDXJZFJUPLHDT-GFCCVEGCSA-N -1 1 357.366 2.524 20 30 FFEDMM N#C[C@H]1C[C@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001135852049 1007495799 /nfs/dbraw/zinc/49/57/99/1007495799.db2.gz ZFIMHRUGGUYSTP-BXUZGUMPSA-N -1 1 359.382 2.725 20 30 FFEDMM C=C(C)CC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC001190530739 1007675521 /nfs/dbraw/zinc/67/55/21/1007675521.db2.gz CFNOALKUAJDJCE-UHFFFAOYSA-N -1 1 352.225 2.841 20 30 FFEDMM C[C@]1(C#N)CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000856198045 1007721779 /nfs/dbraw/zinc/72/17/79/1007721779.db2.gz ODGWQXMEQRZUJU-OAHLLOKOSA-N -1 1 371.315 2.879 20 30 FFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc(Oc2ccccc2)cn1 ZINC000773763060 1009075807 /nfs/dbraw/zinc/07/58/07/1009075807.db2.gz RRQIFRXJCRDHQQ-CQSZACIVSA-N -1 1 359.345 2.625 20 30 FFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000887731098 1009543091 /nfs/dbraw/zinc/54/30/91/1009543091.db2.gz JDZMPSPWVAOJLD-MRXNPFEDSA-N -1 1 366.421 2.699 20 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/nfs/dbraw/zinc/83/71/79/1011837179.db2.gz FXJLRXJIFCGTBC-UHFFFAOYSA-N -1 1 360.429 2.952 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)ccc1C(=O)N(C)C ZINC000901631303 1019290726 /nfs/dbraw/zinc/29/07/26/1019290726.db2.gz WHHDOMDDFSBHMO-UHFFFAOYSA-N -1 1 371.462 2.954 20 30 FFEDMM Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(-c2cnn(C)c2)c1 ZINC000802704557 1020338580 /nfs/dbraw/zinc/33/85/80/1020338580.db2.gz VHAZKZMZIPPNFQ-LIXSYLKWSA-N -1 1 350.374 2.624 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2scnc2CC)cc1 ZINC000750311594 1021686193 /nfs/dbraw/zinc/68/61/93/1021686193.db2.gz OGVZRIWYUDGOLF-CYBMUJFWSA-N -1 1 371.418 2.843 20 30 FFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC001137780497 1033064221 /nfs/dbraw/zinc/06/42/21/1033064221.db2.gz ZHLLTJBKCLKOCK-CQSZACIVSA-N -1 1 352.287 2.778 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc3c2CCOC3)n1 ZINC001122579695 1023348652 /nfs/dbraw/zinc/34/86/52/1023348652.db2.gz YQQNAZUTGMEQCJ-AWEZNQCLSA-N -1 1 356.403 2.883 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC(C)(C)C#N)c2)cc1 ZINC000779226561 1023396870 /nfs/dbraw/zinc/39/68/70/1023396870.db2.gz WZRHSPNNRZEACA-UHFFFAOYSA-N -1 1 374.418 2.955 20 30 FFEDMM C[C@@H]1CC(=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)CN1C1CC1 ZINC000753955446 1023406096 /nfs/dbraw/zinc/40/60/96/1023406096.db2.gz OWVJZHBFBFNMOP-BDJLRTHQSA-N -1 1 371.466 2.540 20 30 FFEDMM C#C[C@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000754374177 1023461713 /nfs/dbraw/zinc/46/17/13/1023461713.db2.gz UKGWIUSNZMVCRK-OAHLLOKOSA-N -1 1 372.446 2.638 20 30 FFEDMM C#C[C@H](CC)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000754388184 1023463958 /nfs/dbraw/zinc/46/39/58/1023463958.db2.gz HYGIVXKSEXRDNN-QAPCUYQASA-N -1 1 350.418 2.678 20 30 FFEDMM C#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000191128362 1023763809 /nfs/dbraw/zinc/76/38/09/1023763809.db2.gz SNNUDULVQOGUEL-UHFFFAOYSA-N -1 1 372.446 2.591 20 30 FFEDMM Cc1cc(Cl)nc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1C#N ZINC001157157195 1029484915 /nfs/dbraw/zinc/48/49/15/1029484915.db2.gz UHZRTBYAZQIAAZ-UHFFFAOYSA-N -1 1 363.741 3.000 20 30 FFEDMM N#Cc1c(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)ncc2c1CCCC2 ZINC001157165349 1029487591 /nfs/dbraw/zinc/48/75/91/1029487591.db2.gz MHXWDRHNXJHEHW-UHFFFAOYSA-N -1 1 369.361 2.917 20 30 FFEDMM COc1cc(C(=O)/C=C\c2cnc(N3CCCC3)nc2)cc(OC)c1[O-] ZINC000843271037 1031279071 /nfs/dbraw/zinc/27/90/71/1031279071.db2.gz PVFOQHQRWWYQKI-WAYWQWQTSA-N -1 1 355.394 2.696 20 30 FFEDMM C=CCOc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000799021649 1031614541 /nfs/dbraw/zinc/61/45/41/1031614541.db2.gz KBYSQSQFNXNGFE-UHFFFAOYSA-N -1 1 370.371 2.782 20 30 FFEDMM CC(=CN=Nc1nc2[nH][n-]cc-2c(=O)n1)Cc1ccccc1C(F)(F)F ZINC000799879892 1031919168 /nfs/dbraw/zinc/91/91/68/1031919168.db2.gz SZWYUAHDVDWYST-ULJBZDOTSA-N -1 1 362.315 2.952 20 30 FFEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000829838366 1033361264 /nfs/dbraw/zinc/36/12/64/1033361264.db2.gz VMUCIUBDTDGKRK-UHFFFAOYSA-N -1 1 371.368 2.624 20 30 FFEDMM O=C1C[C@@H](O/C(=N\[O-])c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC001223594604 1033511934 /nfs/dbraw/zinc/51/19/34/1033511934.db2.gz YIGZGWOMLOCORI-JXLCAQNNSA-N -1 1 358.781 2.820 20 30 FFEDMM C#C[C@H](Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)C2)c1ccncc1 ZINC001226624113 1034763977 /nfs/dbraw/zinc/76/39/77/1034763977.db2.gz RAKLNBNXGPXOLH-IBGZPJMESA-N -1 1 358.401 2.846 20 30 FFEDMM C[C@H](Oc1[n-]c(=O)ncc1I)c1ccccc1C#N ZINC001226774416 1034831018 /nfs/dbraw/zinc/83/10/18/1034831018.db2.gz OBYWIUOPBVIYHD-QMMMGPOBSA-N -1 1 367.146 2.798 20 30 FFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2coc3c2C(=O)CCC3)c1 ZINC000835061794 1035498113 /nfs/dbraw/zinc/49/81/13/1035498113.db2.gz OONUOMPDRQVRIF-ZDUSSCGKSA-N -1 1 352.346 2.768 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)[C@H](C#N)C1 ZINC001232261173 1035534455 /nfs/dbraw/zinc/53/44/55/1035534455.db2.gz WFQAESZKAQQAOM-GFCCVEGCSA-N -1 1 367.833 2.696 20 30 FFEDMM N#Cc1ccc([O-])c(CN2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001232675802 1035931896 /nfs/dbraw/zinc/93/18/96/1035931896.db2.gz VKRIBJLMTUVKQG-OAQYLSRUSA-N -1 1 364.449 2.530 20 30 FFEDMM C#C[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)cc(Br)c2[O-])C1 ZINC001233308564 1036515121 /nfs/dbraw/zinc/51/51/21/1036515121.db2.gz WCXUHYBBQWWQMB-NSHDSACASA-N -1 1 352.228 2.787 20 30 FFEDMM C#C[C@H]1CCCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])C1 ZINC001233308564 1036515126 /nfs/dbraw/zinc/51/51/26/1036515126.db2.gz WCXUHYBBQWWQMB-NSHDSACASA-N -1 1 352.228 2.787 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140988493 1036627340 /nfs/dbraw/zinc/62/73/40/1036627340.db2.gz DLRKKRXSYCVPHX-MRXNPFEDSA-N -1 1 364.396 2.584 20 30 FFEDMM CC[C@H]1OC(C)=C(Oc2cc(C(=O)OC)cc([O-])c2Br)C1=O ZINC001233908626 1036824140 /nfs/dbraw/zinc/82/41/40/1036824140.db2.gz RVKSFJFPVZFPGB-SNVBAGLBSA-N -1 1 371.183 2.930 20 30 FFEDMM C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1ccccc1/C(C)=N/[O-] ZINC001229736671 1036859858 /nfs/dbraw/zinc/85/98/58/1036859858.db2.gz HCWNEBQYDMKGLR-XSFVSMFZSA-N -1 1 361.394 2.871 20 30 FFEDMM Cc1nc(C(N)=O)c(O[C@H](C#Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC001234477015 1037054041 /nfs/dbraw/zinc/05/40/41/1037054041.db2.gz KVISBHRDAHGKIN-QGZVFWFLSA-N -1 1 359.385 2.761 20 30 FFEDMM COc1c(/C=C/C(=O)c2ccc([O-])cc2)ccc(O)c1O[C@H]1CCOC1=O ZINC001230153416 1037123647 /nfs/dbraw/zinc/12/36/47/1037123647.db2.gz GEACNJQJNYNMOL-AUNFYEFLSA-N -1 1 370.357 2.697 20 30 FFEDMM COC(=O)[C@@H](C)Oc1cc([O-])cc(OC)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234774073 1037177872 /nfs/dbraw/zinc/17/78/72/1037177872.db2.gz BWJCHVNYTJXDLQ-UVMWJGKXSA-N -1 1 372.373 2.943 20 30 FFEDMM CCOC(=O)CN(CCC#N)Cc1cc(C)cc(Br)c1[O-] ZINC001236668619 1038182663 /nfs/dbraw/zinc/18/26/63/1038182663.db2.gz CYPPPRMEIRFYPN-UHFFFAOYSA-N -1 1 355.232 2.742 20 30 FFEDMM C=CCOC(=O)N[C@@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236818106 1038289743 /nfs/dbraw/zinc/28/97/43/1038289743.db2.gz IWHURQQHPGIJRH-CYBMUJFWSA-N -1 1 354.834 2.931 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c3ncccc23)cc1OC ZINC001257117936 1038715487 /nfs/dbraw/zinc/71/54/87/1038715487.db2.gz KZBGYSYGTONESK-UHFFFAOYSA-N -1 1 369.402 2.924 20 30 FFEDMM COCCOc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC001258135543 1039213508 /nfs/dbraw/zinc/21/35/08/1039213508.db2.gz BHDAIAOOKJVHJH-UHFFFAOYSA-N -1 1 368.361 2.662 20 30 FFEDMM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Br ZINC001258676120 1039481545 /nfs/dbraw/zinc/48/15/45/1039481545.db2.gz SAWYXWQCWNELFW-UHFFFAOYSA-N -1 1 356.201 2.726 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c2cccnc12 ZINC001259345972 1039926628 /nfs/dbraw/zinc/92/66/28/1039926628.db2.gz RIBHBSCIAHEYKT-UHFFFAOYSA-N -1 1 367.386 2.678 20 30 FFEDMM C=CCS(=O)(=O)Nc1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC001259931441 1040303802 /nfs/dbraw/zinc/30/38/02/1040303802.db2.gz KLTFTDUTWLXFGE-UHFFFAOYSA-N -1 1 363.279 2.927 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(OC)c1F ZINC001260045324 1040376940 /nfs/dbraw/zinc/37/69/40/1040376940.db2.gz MOPNNMUHZLHTPM-UHFFFAOYSA-N -1 1 350.371 2.656 20 30 FFEDMM N#Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260206789 1040462398 /nfs/dbraw/zinc/46/23/98/1040462398.db2.gz APFHWKVCRZSSJG-UHFFFAOYSA-N -1 1 372.780 2.847 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OCC ZINC001213382451 1040497361 /nfs/dbraw/zinc/49/73/61/1040497361.db2.gz DROTVWOSGUHSPN-CYBMUJFWSA-N -1 1 366.266 2.834 20 30 FFEDMM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2cccc3nsnc32)c1F ZINC001260388855 1040572144 /nfs/dbraw/zinc/57/21/44/1040572144.db2.gz DVJOLABQEXBNMN-UHFFFAOYSA-N -1 1 370.337 2.781 20 30 FFEDMM C#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)ccc1F ZINC001260796783 1040804262 /nfs/dbraw/zinc/80/42/62/1040804262.db2.gz JIBXATBUCGNFND-UHFFFAOYSA-N -1 1 358.394 2.517 20 30 FFEDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c1 ZINC001254746422 1040929148 /nfs/dbraw/zinc/92/91/48/1040929148.db2.gz RJNJASHCRYGFHS-UHFFFAOYSA-N -1 1 361.379 2.915 20 30 FFEDMM C=C[C@H](COC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC001255035437 1041115594 /nfs/dbraw/zinc/11/55/94/1041115594.db2.gz CGABBPZSHOIKSB-MRXNPFEDSA-N -1 1 374.462 2.727 20 30 FFEDMM Cn1cc(CN2CCC23CN(Cc2ccc(Cl)c([O-])c2)C3)cc1C#N ZINC001279312390 1042995405 /nfs/dbraw/zinc/99/54/05/1042995405.db2.gz BKQKMCPWFYRGGR-UHFFFAOYSA-N -1 1 356.857 2.716 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(N)c2)ccc1Br ZINC001237603698 1043264313 /nfs/dbraw/zinc/26/43/13/1043264313.db2.gz XDVMKUQCQKBEPF-UHFFFAOYSA-N -1 1 352.213 2.704 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCOCC1 ZINC001309947267 1043602545 /nfs/dbraw/zinc/60/25/45/1043602545.db2.gz XJRRONSLRFEEGN-UHFFFAOYSA-N -1 1 367.229 2.731 20 30 FFEDMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)ccc2o1 ZINC001319033560 1044995549 /nfs/dbraw/zinc/99/55/49/1044995549.db2.gz SOHDBNFNQBNIIO-UHFFFAOYSA-N -1 1 357.391 2.841 20 30 FFEDMM CN1Cc2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)ccc2NC1=O ZINC001320700591 1045451683 /nfs/dbraw/zinc/45/16/83/1045451683.db2.gz JOCMZWLJBGSXOV-UHFFFAOYSA-N -1 1 356.407 2.531 20 30 FFEDMM C=CC[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC001332130492 1048260609 /nfs/dbraw/zinc/26/06/09/1048260609.db2.gz FFOBKIXHSDIYFK-KGLIPLIRSA-N -1 1 373.375 2.637 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cccnc2-n2cnc3ccccc32)cc1[O-] ZINC001298210070 1050396420 /nfs/dbraw/zinc/39/64/20/1050396420.db2.gz DPWJWYQLTQAABW-UHFFFAOYSA-N -1 1 369.384 2.928 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(CC)Cc1cnn(C)c1 ZINC001340472830 1050866838 /nfs/dbraw/zinc/86/68/38/1050866838.db2.gz JIDZMPFPWJGTNK-UHFFFAOYSA-N -1 1 373.848 2.645 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001340539910 1050929886 /nfs/dbraw/zinc/92/98/86/1050929886.db2.gz PYECTDGBYKVNBD-JTQLQIEISA-N -1 1 372.379 2.962 20 30 FFEDMM C#CC1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2CC2CC2)CC1 ZINC001346214204 1052791019 /nfs/dbraw/zinc/79/10/19/1052791019.db2.gz HXYBRQFYUBRROW-UHFFFAOYSA-N -1 1 357.845 2.959 20 30 FFEDMM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c(F)c1F ZINC001347129853 1053649003 /nfs/dbraw/zinc/64/90/03/1053649003.db2.gz UTJOOOWZFXRWJC-LLVKDONJSA-N -1 1 354.353 2.916 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001338708428 1055749722 /nfs/dbraw/zinc/74/97/22/1055749722.db2.gz IRLOICZLYOXYDD-TZMCWYRMSA-N -1 1 370.457 2.508 20 30 FFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1scc2c1OCCO2 ZINC000847623744 1056196373 /nfs/dbraw/zinc/19/63/73/1056196373.db2.gz FASMFALBLJHCJM-LLVKDONJSA-N -1 1 372.402 2.879 20 30 FFEDMM C=CCN(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C[C@H]1CCCCO1 ZINC001519952334 1059240294 /nfs/dbraw/zinc/24/02/94/1059240294.db2.gz CUEYQFNKNSBWNC-CQSZACIVSA-N -1 1 370.457 2.509 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001515030694 1059241172 /nfs/dbraw/zinc/24/11/72/1059241172.db2.gz ANLHAQNGJMUJSO-JTQLQIEISA-N -1 1 360.372 2.510 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001515030694 1059241187 /nfs/dbraw/zinc/24/11/87/1059241187.db2.gz ANLHAQNGJMUJSO-JTQLQIEISA-N -1 1 360.372 2.510 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001520398434 1059658221 /nfs/dbraw/zinc/65/82/21/1059658221.db2.gz YEELVTHSLGLMTE-MRXNPFEDSA-N -1 1 366.425 2.528 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001520433973 1059682835 /nfs/dbraw/zinc/68/28/35/1059682835.db2.gz WTCSBMJQCQMNRY-YQQAZPJKSA-N -1 1 362.437 2.800 20 30 FFEDMM C#CC[C@H](CC)c1nnc(N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)n1CC ZINC001520687433 1059962701 /nfs/dbraw/zinc/96/27/01/1059962701.db2.gz RNIVAAKYLBBKGR-KBPBESRZSA-N -1 1 370.457 2.661 20 30 FFEDMM COc1cc(Br)c(OC)c(C([O-])=C(C#N)c2ccncn2)c1 ZINC001516767230 1060228771 /nfs/dbraw/zinc/22/87/71/1060228771.db2.gz LXCXYIXPTUFWDK-LLVKDONJSA-N -1 1 362.183 2.746 20 30 FFEDMM CCOC(=O)c1sc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C#N)c1C ZINC001521068412 1060357236 /nfs/dbraw/zinc/35/72/36/1060357236.db2.gz URPOUXUZCCMBQS-UHFFFAOYSA-N -1 1 374.378 2.969 20 30 FFEDMM N#Cc1cccc(-c2nc([N-]C(=O)c3occc3Br)n[nH]2)c1 ZINC001458042372 1060497930 /nfs/dbraw/zinc/49/79/30/1060497930.db2.gz IPMSFZYXUMCPRL-UHFFFAOYSA-N -1 1 358.155 2.951 20 30 FFEDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc1F ZINC001475235315 1061010550 /nfs/dbraw/zinc/01/05/50/1061010550.db2.gz YQYOJSJJTXVJDB-UHFFFAOYSA-N -1 1 355.391 2.651 20 30 FFEDMM C#CCC1(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCCCC1 ZINC001462993937 1061881710 /nfs/dbraw/zinc/88/17/10/1061881710.db2.gz DDORIBVHQCVUCD-UHFFFAOYSA-N -1 1 366.483 2.812 20 30 FFEDMM CC(C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(C#N)c1 ZINC001464066106 1062409163 /nfs/dbraw/zinc/40/91/63/1062409163.db2.gz QTIZXYHXKKQFIU-UHFFFAOYSA-N -1 1 361.373 2.922 20 30 FFEDMM C#CCCCCCC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC001525072438 1063131223 /nfs/dbraw/zinc/13/12/23/1063131223.db2.gz WXKUJVISOFKIDD-UHFFFAOYSA-N -1 1 368.437 2.848 20 30 FFEDMM N#Cc1ccc(Cl)cc1NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001581872066 1079011206 /nfs/dbraw/zinc/01/12/06/1079011206.db2.gz JAPZSGULYZXYJP-UHFFFAOYSA-N -1 1 371.813 2.518 20 30 FFEDMM N#Cc1ccc(Cl)cc1NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001581872066 1079011213 /nfs/dbraw/zinc/01/12/13/1079011213.db2.gz JAPZSGULYZXYJP-UHFFFAOYSA-N -1 1 371.813 2.518 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC001581867747 1079011533 /nfs/dbraw/zinc/01/15/33/1079011533.db2.gz UMBIVKOTSBAZIN-UHFFFAOYSA-N -1 1 374.738 2.600 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC001581867747 1079011539 /nfs/dbraw/zinc/01/15/39/1079011539.db2.gz UMBIVKOTSBAZIN-UHFFFAOYSA-N -1 1 374.738 2.600 20 30 FFEDMM N#Cc1nc(N[C@H]2CCCOc3cc(Cl)ccc32)cnc1-c1nnn[n-]1 ZINC001581880649 1079012067 /nfs/dbraw/zinc/01/20/67/1079012067.db2.gz QZWCIJFBYWPPEL-NSHDSACASA-N -1 1 368.788 2.508 20 30 FFEDMM N#Cc1nc(N[C@H]2CCCOc3cc(Cl)ccc32)cnc1-c1nn[n-]n1 ZINC001581880649 1079012072 /nfs/dbraw/zinc/01/20/72/1079012072.db2.gz QZWCIJFBYWPPEL-NSHDSACASA-N -1 1 368.788 2.508 20 30 FFEDMM CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC001561578407 1076394424 /nfs/dbraw/zinc/39/44/24/1076394424.db2.gz OPKYYSDCMMMWNP-CYBMUJFWSA-N -1 1 370.471 2.966 20 30 FFEDMM COC(=O)[C@@]1([N-]S(=O)(=O)CC2(C#N)CCCCC2)CCCC(C)(C)C1 ZINC001561763000 1076419271 /nfs/dbraw/zinc/41/92/71/1076419271.db2.gz RRGZNOMPZKVIEF-GOSISDBHSA-N -1 1 370.515 2.892 20 30 FFEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001566738145 1076979118 /nfs/dbraw/zinc/97/91/18/1076979118.db2.gz YRWVSXBXSOMMFY-LLVKDONJSA-N -1 1 356.382 2.908 20 30 FFEDMM Cc1cc(C#N)cc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC001570305084 1077197866 /nfs/dbraw/zinc/19/78/66/1077197866.db2.gz CAKPLJJGECIGKS-UHFFFAOYSA-N -1 1 359.389 2.502 20 30 FFEDMM C#Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC001588374714 1079997597 /nfs/dbraw/zinc/99/75/97/1079997597.db2.gz KKGBHWLPWHRJIT-UHFFFAOYSA-N -1 1 358.814 2.885 20 30 FFEDMM C=C(C)CCC(=O)NCC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588417847 1080020522 /nfs/dbraw/zinc/02/05/22/1080020522.db2.gz IHPCINHJHGDOSW-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=C(C)CCC(=O)NCC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588417847 1080020531 /nfs/dbraw/zinc/02/05/31/1080020531.db2.gz IHPCINHJHGDOSW-SECBINFHSA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCCC(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588587231 1080111273 /nfs/dbraw/zinc/11/12/73/1080111273.db2.gz RQNSAUIPNNTUKX-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCCC(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588587231 1080111277 /nfs/dbraw/zinc/11/12/77/1080111277.db2.gz RQNSAUIPNNTUKX-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=CC[S@](=O)(=NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccccc1 ZINC001588689081 1080155877 /nfs/dbraw/zinc/15/58/77/1080155877.db2.gz YAPDPUKHTBTEIC-RUZDIDTESA-N -1 1 357.395 2.621 20 30 FFEDMM C=CC[S@](=O)(=NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccccc1 ZINC001588689081 1080155881 /nfs/dbraw/zinc/15/58/81/1080155881.db2.gz YAPDPUKHTBTEIC-RUZDIDTESA-N -1 1 357.395 2.621 20 30 FFEDMM Cc1cc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc(O)c1O ZINC001588781057 1080193072 /nfs/dbraw/zinc/19/30/72/1080193072.db2.gz ALDGLSJPMVRIBX-UHFFFAOYSA-N -1 1 357.374 2.534 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2[nH]c(-c3ccccc3)nc2C)o1 ZINC001588781938 1080193807 /nfs/dbraw/zinc/19/38/07/1080193807.db2.gz MKMPDNDDLGHNIN-UHFFFAOYSA-N -1 1 363.385 2.698 20 30 FFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001590035851 1080961184 /nfs/dbraw/zinc/96/11/84/1080961184.db2.gz KPOZFOOALPWNGO-QLJPJBMISA-N -1 1 362.434 2.541 20 30 FFEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590051526 1080980701 /nfs/dbraw/zinc/98/07/01/1080980701.db2.gz XXEOULLPZCKKJK-SNVBAGLBSA-N -1 1 367.800 2.620 20 30 FFEDMM C[C@@]1(C#N)CCN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)C1 ZINC001590057146 1080983614 /nfs/dbraw/zinc/98/36/14/1080983614.db2.gz ZYIFJMUSKMMKFP-IBGZPJMESA-N -1 1 362.441 2.532 20 30 FFEDMM C[C@@]1(C#N)CCN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)C1 ZINC001590057146 1080983618 /nfs/dbraw/zinc/98/36/18/1080983618.db2.gz ZYIFJMUSKMMKFP-IBGZPJMESA-N -1 1 362.441 2.532 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1noc(-c2ccccc2)n1 ZINC000366620082 512111477 /nfs/dbraw/zinc/11/14/77/512111477.db2.gz JWRFSLFGENODTK-JTQLQIEISA-N -1 1 360.420 2.709 20 30 FFEDMM N#Cc1cc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1F ZINC000289619579 257290227 /nfs/dbraw/zinc/29/02/27/257290227.db2.gz OSRFOOBQQFTVOO-SNVBAGLBSA-N -1 1 372.322 2.620 20 30 FFEDMM Cc1cc(F)ccc1N1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000331605910 258192957 /nfs/dbraw/zinc/19/29/57/258192957.db2.gz JCISZAWBXSOJBZ-AWEZNQCLSA-N -1 1 363.414 2.546 20 30 FFEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cn2)n1 ZINC000032595514 506268385 /nfs/dbraw/zinc/26/83/85/506268385.db2.gz GFTGYWUVQXBZOI-UHFFFAOYSA-N -1 1 353.407 2.557 20 30 FFEDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000065833293 506375903 /nfs/dbraw/zinc/37/59/03/506375903.db2.gz OVMUKLLRYNOQGN-UHFFFAOYSA-N -1 1 363.826 2.995 20 30 FFEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000056411448 507007540 /nfs/dbraw/zinc/00/75/40/507007540.db2.gz GBNAXAFGRHAWJG-AWEZNQCLSA-N -1 1 372.450 2.504 20 30 FFEDMM C[C@@H](C#N)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000045851144 507032971 /nfs/dbraw/zinc/03/29/71/507032971.db2.gz SFKHLAXTAVKLJX-AWEZNQCLSA-N -1 1 357.435 2.719 20 30 FFEDMM Cc1cccc([C@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)NC(N)=O)c1 ZINC000073914589 507966753 /nfs/dbraw/zinc/96/67/53/507966753.db2.gz JJLFKTTYAWBYTO-VIFPVBQESA-N -1 1 356.308 2.520 20 30 FFEDMM C=CCOCCCC(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC000080208874 508052123 /nfs/dbraw/zinc/05/21/23/508052123.db2.gz RGBZVOWWIDEXTK-CYBMUJFWSA-N -1 1 350.488 2.964 20 30 FFEDMM CC(C)c1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)[nH]n1 ZINC000160645716 509013765 /nfs/dbraw/zinc/01/37/65/509013765.db2.gz SVATWKBCKCMEAT-UHFFFAOYSA-N -1 1 369.244 2.968 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000267215765 509396671 /nfs/dbraw/zinc/39/66/71/509396671.db2.gz GLQMGHFBPFLKTA-QGZVFWFLSA-N -1 1 365.437 2.684 20 30 FFEDMM CN1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189071329 509398455 /nfs/dbraw/zinc/39/84/55/509398455.db2.gz RDLDRQREUHLIRB-AEFFLSMTSA-N -1 1 357.360 2.717 20 30 FFEDMM CCOc1ccccc1N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000189763387 509738253 /nfs/dbraw/zinc/73/82/53/509738253.db2.gz NREYTFOWKLAJGY-UHFFFAOYSA-N -1 1 351.406 2.625 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000174040375 509920172 /nfs/dbraw/zinc/92/01/72/509920172.db2.gz SIOVTDURCCKWHR-VIFPVBQESA-N -1 1 368.846 2.932 20 30 FFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 ZINC000177668440 510190994 /nfs/dbraw/zinc/19/09/94/510190994.db2.gz VXMABVKFUHUREV-CYBMUJFWSA-N -1 1 374.340 2.836 20 30 FFEDMM Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000190544904 510196365 /nfs/dbraw/zinc/19/63/65/510196365.db2.gz PVLKRGGESNEWSU-UHFFFAOYSA-N -1 1 363.417 2.607 20 30 FFEDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc21 ZINC000265923123 510301808 /nfs/dbraw/zinc/30/18/08/510301808.db2.gz QAWDDMVYGHIPDL-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM N#CC(=C([O-])c1ccccc1SCC(N)=O)c1cnc2ccccc2n1 ZINC000190966503 510440938 /nfs/dbraw/zinc/44/09/38/510440938.db2.gz GPXGLPOPIQPAKF-ZDUSSCGKSA-N -1 1 362.414 2.697 20 30 FFEDMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000194604799 510442393 /nfs/dbraw/zinc/44/23/93/510442393.db2.gz XEGCDCQMZMIRTM-UHFFFAOYSA-N -1 1 371.462 2.990 20 30 FFEDMM Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000187980728 510531743 /nfs/dbraw/zinc/53/17/43/510531743.db2.gz RPGRDNWQXIGDBQ-UHFFFAOYSA-N -1 1 364.405 2.562 20 30 FFEDMM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000188073620 510579924 /nfs/dbraw/zinc/57/99/24/510579924.db2.gz VJXKBKSKNHMRMX-UHFFFAOYSA-N -1 1 363.417 2.607 20 30 FFEDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000188121959 510603980 /nfs/dbraw/zinc/60/39/80/510603980.db2.gz VPANECSPYAMOCG-SECBINFHSA-N -1 1 362.842 2.977 20 30 FFEDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000195066888 510655942 /nfs/dbraw/zinc/65/59/42/510655942.db2.gz OVHAHXDMLASVGP-YNAXMUEKSA-N -1 1 362.499 2.744 20 30 FFEDMM CCOC(=O)CN(CCc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188388304 510742429 /nfs/dbraw/zinc/74/24/29/510742429.db2.gz JGOLRKDKUFYKAN-UHFFFAOYSA-N -1 1 352.390 2.512 20 30 FFEDMM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1csc(=NC2CC2)[n-]1 ZINC000330301200 510960368 /nfs/dbraw/zinc/96/03/68/510960368.db2.gz IXKCQIPBGSAAJL-AWEZNQCLSA-N -1 1 362.499 2.625 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000331296959 511058547 /nfs/dbraw/zinc/05/85/47/511058547.db2.gz CXLRDIMXCGVLEV-PWSUYJOCSA-N -1 1 359.163 2.645 20 30 FFEDMM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)ccc1OCCC(=O)[O-] ZINC000279388855 511065150 /nfs/dbraw/zinc/06/51/50/511065150.db2.gz GTSMZKPBWMXCHM-DHZHZOJOSA-N -1 1 369.377 2.785 20 30 FFEDMM C[C@@H](C#N)CN(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271252313 511137746 /nfs/dbraw/zinc/13/77/46/511137746.db2.gz KUUMRDOFJKKOBE-VIFPVBQESA-N -1 1 359.304 2.735 20 30 FFEDMM C#C[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)(C)C ZINC000291730350 511314243 /nfs/dbraw/zinc/31/42/43/511314243.db2.gz NRELDOPTQFAQQZ-MRXNPFEDSA-N -1 1 352.438 2.649 20 30 FFEDMM C#CCO[N-]C(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000295276660 511345359 /nfs/dbraw/zinc/34/53/59/511345359.db2.gz BBPGKMRLEJUZCD-UHFFFAOYSA-N -1 1 370.218 2.609 20 30 FFEDMM N#Cc1ccc(CS(=O)(=O)Cc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000350810448 511886263 /nfs/dbraw/zinc/88/62/63/511886263.db2.gz DZOPCPZXMKIXKU-UHFFFAOYSA-N -1 1 373.365 2.568 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000281890112 512001356 /nfs/dbraw/zinc/00/13/56/512001356.db2.gz WGTSCHAGVVGUQU-DOMZBBRYSA-N -1 1 369.259 2.935 20 30 FFEDMM Cc1nc(C[NH+]2CCC(CNC(=O)c3ncc(C)cc3[O-])CC2)oc1C ZINC000329613080 512077441 /nfs/dbraw/zinc/07/74/41/512077441.db2.gz DTULLMVOVMUPCI-UHFFFAOYSA-N -1 1 358.442 2.917 20 30 FFEDMM N#Cc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cn1 ZINC000374883323 513054057 /nfs/dbraw/zinc/05/40/57/513054057.db2.gz XCPLMKOUHCIHCO-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000439613119 513151447 /nfs/dbraw/zinc/15/14/47/513151447.db2.gz KPCGBMUDDVKZMI-UHFFFAOYSA-N -1 1 359.407 2.562 20 30 FFEDMM CCOC(=O)c1csc(=NC2CCC(Oc3ccc(C#N)cn3)CC2)[n-]1 ZINC000450420876 513187331 /nfs/dbraw/zinc/18/73/31/513187331.db2.gz RCCXYDQBEQBPTH-UHFFFAOYSA-N -1 1 372.450 2.810 20 30 FFEDMM N#C[C@H]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000424971754 513347054 /nfs/dbraw/zinc/34/70/54/513347054.db2.gz SMGQZUASLDZRHX-WMLDXEAASA-N -1 1 369.446 2.909 20 30 FFEDMM N#CC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCC1 ZINC000416361826 513732290 /nfs/dbraw/zinc/73/22/90/513732290.db2.gz ZXROBFWGCRJDBW-UHFFFAOYSA-N -1 1 369.446 2.911 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)c1C#N ZINC000436476622 513865586 /nfs/dbraw/zinc/86/55/86/513865586.db2.gz JUUASBYOXSBUBP-UHFFFAOYSA-N -1 1 357.370 2.592 20 30 FFEDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000443490571 513978708 /nfs/dbraw/zinc/97/87/08/513978708.db2.gz OIJVPSQWKHJLFD-UHFFFAOYSA-N -1 1 370.887 2.839 20 30 FFEDMM C=CCC[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)OCC ZINC000451995762 514119362 /nfs/dbraw/zinc/11/93/62/514119362.db2.gz OYXQQZUBDPYSJC-ZDUSSCGKSA-N -1 1 355.387 2.748 20 30 FFEDMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)n1C ZINC000427266323 514166392 /nfs/dbraw/zinc/16/63/92/514166392.db2.gz IRSGMODWUCVCGK-UHFFFAOYSA-N -1 1 371.397 2.602 20 30 FFEDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1C ZINC000438241480 514336289 /nfs/dbraw/zinc/33/62/89/514336289.db2.gz YLMBQGWJDNVZGF-UHFFFAOYSA-N -1 1 358.345 2.972 20 30 FFEDMM C=CC[C@@H](CC)NC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000466366281 514623938 /nfs/dbraw/zinc/62/39/38/514623938.db2.gz FPMLRKYPHKYUPU-OAHLLOKOSA-N -1 1 371.441 2.802 20 30 FFEDMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000489247325 514768497 /nfs/dbraw/zinc/76/84/97/514768497.db2.gz FFGRVNHVPVWJLC-MRXNPFEDSA-N -1 1 366.414 2.983 20 30 FFEDMM CC[C@@]([N-]S(=O)(=O)c1cc(C#N)ccc1C)(C(=O)OC)c1ccccc1 ZINC000510531988 515573866 /nfs/dbraw/zinc/57/38/66/515573866.db2.gz DOLOZONMUXQQOV-IBGZPJMESA-N -1 1 372.446 2.624 20 30 FFEDMM CSc1[n-]c(=O)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1C#N ZINC000506449571 515883606 /nfs/dbraw/zinc/88/36/06/515883606.db2.gz ZHPMCLHNCSOFDI-AWEZNQCLSA-N -1 1 372.450 2.541 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)c1 ZINC000483119745 515938210 /nfs/dbraw/zinc/93/82/10/515938210.db2.gz RGBMSSNALSIRFR-UHFFFAOYSA-N -1 1 359.382 2.625 20 30 FFEDMM N#CC(=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2)c1cnc2ccccc2n1 ZINC000483234511 515998105 /nfs/dbraw/zinc/99/81/05/515998105.db2.gz VXKXCWXQTFQOLD-LLVKDONJSA-N -1 1 362.301 2.757 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000531429853 516461361 /nfs/dbraw/zinc/46/13/61/516461361.db2.gz ZUTMRSLJAFSAMY-UHFFFAOYSA-N -1 1 356.403 2.894 20 30 FFEDMM Cc1cc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)nn1C ZINC000543916898 516496538 /nfs/dbraw/zinc/49/65/38/516496538.db2.gz KMSLEWQWNKRZRL-UHFFFAOYSA-N -1 1 352.423 2.713 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)o1 ZINC000561530972 516635854 /nfs/dbraw/zinc/63/58/54/516635854.db2.gz FFIKCPQPJYPTLM-JTQLQIEISA-N -1 1 369.805 2.501 20 30 FFEDMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc(CC#N)cc2)n[n-]1 ZINC000552008305 517024136 /nfs/dbraw/zinc/02/41/36/517024136.db2.gz SLHRVILLCQPFAV-OAHLLOKOSA-N -1 1 369.425 2.565 20 30 FFEDMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc(CC#N)cc2)[n-]1 ZINC000552008305 517024146 /nfs/dbraw/zinc/02/41/46/517024146.db2.gz SLHRVILLCQPFAV-OAHLLOKOSA-N -1 1 369.425 2.565 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc(CC#N)cc2)n1 ZINC000552008305 517024152 /nfs/dbraw/zinc/02/41/52/517024152.db2.gz SLHRVILLCQPFAV-OAHLLOKOSA-N -1 1 369.425 2.565 20 30 FFEDMM N#CCCSc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000520800963 517517619 /nfs/dbraw/zinc/51/76/19/517517619.db2.gz RCKGZJSSBULOGQ-UHFFFAOYSA-N -1 1 351.409 2.519 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(C)=O)cc2)n1 ZINC000516795417 517846440 /nfs/dbraw/zinc/84/64/40/517846440.db2.gz JWNYWLTVAOFVNM-CYBMUJFWSA-N -1 1 357.391 2.768 20 30 FFEDMM Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c([C@H]2CCOC2)n1 ZINC000563594563 518008850 /nfs/dbraw/zinc/00/88/50/518008850.db2.gz XUZZUWVERYZWHE-CMPLNLGQSA-N -1 1 364.327 2.828 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc2[nH]ccc21 ZINC000578669649 518319153 /nfs/dbraw/zinc/31/91/53/518319153.db2.gz CFQPVCOSHVGINF-UHFFFAOYSA-N -1 1 369.402 2.935 20 30 FFEDMM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000579672614 518792479 /nfs/dbraw/zinc/79/24/79/518792479.db2.gz ZWJOZUIMVARFCS-IRXDYDNUSA-N -1 1 350.374 2.783 20 30 FFEDMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000588853135 518850063 /nfs/dbraw/zinc/85/00/63/518850063.db2.gz MVPZVNPFFCRBMU-UHFFFAOYSA-N -1 1 357.435 2.759 20 30 FFEDMM CCCCNC(=O)c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589169746 518939005 /nfs/dbraw/zinc/93/90/05/518939005.db2.gz QNBIBDYCPVWUFD-UHFFFAOYSA-N -1 1 351.406 2.724 20 30 FFEDMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000571196777 518973677 /nfs/dbraw/zinc/97/36/77/518973677.db2.gz PTIZYPULPNURQA-LBPRGKRZSA-N -1 1 370.496 2.879 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000582935811 518993225 /nfs/dbraw/zinc/99/32/25/518993225.db2.gz LRIMOLBDRLJINB-UHFFFAOYSA-N -1 1 372.189 2.759 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC2(Cc3cccc(F)c3)CCOCC2)c1 ZINC000590508408 519250961 /nfs/dbraw/zinc/25/09/61/519250961.db2.gz OKUMPBPUKTYBJL-UHFFFAOYSA-N -1 1 354.381 2.925 20 30 FFEDMM COc1cc(OC)c(C[C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)c(OC)c1 ZINC000590773730 519361288 /nfs/dbraw/zinc/36/12/88/519361288.db2.gz BPWKTRXVDYBELU-LBPRGKRZSA-N -1 1 370.405 2.651 20 30 FFEDMM C=C[C@](C)(O)CC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000569513796 519587461 /nfs/dbraw/zinc/58/74/61/519587461.db2.gz QAIQTCSRUMAHCC-ZDUSSCGKSA-N -1 1 356.245 2.588 20 30 FFEDMM CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000616718313 520103500 /nfs/dbraw/zinc/10/35/00/520103500.db2.gz CMMDSCXVAZULBD-OAHLLOKOSA-N -1 1 371.418 2.874 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1 ZINC000600313710 520200837 /nfs/dbraw/zinc/20/08/37/520200837.db2.gz ZGQZHPODLLGHNR-GOSISDBHSA-N -1 1 371.824 2.552 20 30 FFEDMM CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000610084683 520534038 /nfs/dbraw/zinc/53/40/38/520534038.db2.gz OPHMHPHLFGTGQM-HNNXBMFYSA-N -1 1 353.463 2.630 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000614293765 520895164 /nfs/dbraw/zinc/89/51/64/520895164.db2.gz ZTNTYYPCHBDALJ-UHFFFAOYSA-N -1 1 362.389 2.796 20 30 FFEDMM CCN(C[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1)CC(F)(F)F ZINC000614300601 520898461 /nfs/dbraw/zinc/89/84/61/520898461.db2.gz LIKQNRLIMJCBBC-LBPRGKRZSA-N -1 1 355.360 2.610 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000602081257 521130504 /nfs/dbraw/zinc/13/05/04/521130504.db2.gz RZPGRZFHGOTJGA-UHFFFAOYSA-N -1 1 356.407 2.643 20 30 FFEDMM N#C[C@@]1(F)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000615608880 521470712 /nfs/dbraw/zinc/47/07/12/521470712.db2.gz QCDYEKXJOZGQER-SFHVURJKSA-N -1 1 373.409 2.565 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCOc3c(Cl)cccc32)o1 ZINC000737466711 598861864 /nfs/dbraw/zinc/86/18/64/598861864.db2.gz AQRCUFASNATYHB-UHFFFAOYSA-N -1 1 359.777 2.805 20 30 FFEDMM N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000739121478 599802116 /nfs/dbraw/zinc/80/21/16/599802116.db2.gz SDEKXNNMVYRJBY-UHFFFAOYSA-N -1 1 368.317 2.659 20 30 FFEDMM N#Cc1ccccc1OCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739147460 600145223 /nfs/dbraw/zinc/14/52/23/600145223.db2.gz VSMLYNFREVQCPJ-UHFFFAOYSA-N -1 1 360.797 2.883 20 30 FFEDMM N#Cc1ccccc1OCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739147460 600145224 /nfs/dbraw/zinc/14/52/24/600145224.db2.gz VSMLYNFREVQCPJ-UHFFFAOYSA-N -1 1 360.797 2.883 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738365258 600305053 /nfs/dbraw/zinc/30/50/53/600305053.db2.gz YJIKQDNTNTUARA-SFHVURJKSA-N -1 1 369.465 2.737 20 30 FFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(CCc3cccs3)CC2)cc1 ZINC000739105896 600566498 /nfs/dbraw/zinc/56/64/98/600566498.db2.gz ONGWIYIASQWCOI-SFHVURJKSA-N -1 1 355.463 2.606 20 30 FFEDMM C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000827716823 600762067 /nfs/dbraw/zinc/76/20/67/600762067.db2.gz BGNJDUNFJVLYFU-UONOGXRCSA-N -1 1 351.406 2.612 20 30 FFEDMM C[C@@H](/N=C/c1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000738946542 602097555 /nfs/dbraw/zinc/09/75/55/602097555.db2.gz SFEIHVMCQAWZCM-PPFPWSOCSA-N -1 1 350.994 2.809 20 30 FFEDMM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccn1 ZINC000740304038 602670787 /nfs/dbraw/zinc/67/07/87/602670787.db2.gz PRQWWXQOMPNQAU-HUUCEWRRSA-N -1 1 366.377 2.518 20 30 FFEDMM N#CC1(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)CCCCC1 ZINC000740310708 603060584 /nfs/dbraw/zinc/06/05/84/603060584.db2.gz VUSUIYNXWMZDJW-UHFFFAOYSA-N -1 1 368.397 2.652 20 30 FFEDMM N#CC1(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)CCCCC1 ZINC000740310708 603060589 /nfs/dbraw/zinc/06/05/89/603060589.db2.gz VUSUIYNXWMZDJW-UHFFFAOYSA-N -1 1 368.397 2.652 20 30 FFEDMM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833596346 604617946 /nfs/dbraw/zinc/61/79/46/604617946.db2.gz MWISTVGVQBUHCA-ZIAGYGMSSA-N -1 1 373.453 2.992 20 30 FFEDMM N#C[C@H](C(=O)[C@H](CC(F)F)NC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000833961818 606084627 /nfs/dbraw/zinc/08/46/27/606084627.db2.gz XMBJBKAQDAJENM-APPZFPTMSA-N -1 1 372.278 2.899 20 30 FFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)nnn1-c1ccccc1 ZINC000822014925 606390573 /nfs/dbraw/zinc/39/05/73/606390573.db2.gz AZRBPVIJRLCEOB-CLFYSBASSA-N -1 1 363.406 2.713 20 30 FFEDMM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400689 608092312 /nfs/dbraw/zinc/09/23/12/608092312.db2.gz FHPBDZACMLVNNI-WAYWQWQTSA-N -1 1 354.391 2.986 20 30 FFEDMM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400689 608092313 /nfs/dbraw/zinc/09/23/13/608092313.db2.gz FHPBDZACMLVNNI-WAYWQWQTSA-N -1 1 354.391 2.986 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccccc2Cl)cc1 ZINC000746491263 735487625 /nfs/dbraw/zinc/48/76/25/735487625.db2.gz FIFYPRJJJNDNDW-UHFFFAOYSA-N -1 1 353.787 2.702 20 30 FFEDMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000746782176 735509738 /nfs/dbraw/zinc/50/97/38/735509738.db2.gz GDKQRGKJGYMUJR-YFHOEESVSA-N -1 1 356.403 2.854 20 30 FFEDMM N#CCOc1cccc(CC(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000121599056 728632343 /nfs/dbraw/zinc/63/23/43/728632343.db2.gz HYUWBGYIBBMDIX-UHFFFAOYSA-N -1 1 362.183 2.633 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc(F)c1F ZINC000122791296 728651874 /nfs/dbraw/zinc/65/18/74/728651874.db2.gz BRSHHOMYVIMKRO-UHFFFAOYSA-N -1 1 370.308 2.563 20 30 FFEDMM COCCCCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000126222656 728696157 /nfs/dbraw/zinc/69/61/57/728696157.db2.gz XQUJQMGHASTNGR-GFCCVEGCSA-N -1 1 359.451 2.856 20 30 FFEDMM CC[C@@H](C)OCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000152076823 728747763 /nfs/dbraw/zinc/74/77/63/728747763.db2.gz SFVIXPPNHABEER-ZYHUDNBSSA-N -1 1 359.451 2.855 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c(Br)c1 ZINC000901774404 735837289 /nfs/dbraw/zinc/83/72/89/735837289.db2.gz RFIKLEHHQWSIHO-JTQLQIEISA-N -1 1 371.178 2.880 20 30 FFEDMM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000197598207 729541698 /nfs/dbraw/zinc/54/16/98/729541698.db2.gz UYCKZLWPQMGWRD-GHXNOFRVSA-N -1 1 356.403 2.935 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)c(F)c2)c(=O)o1 ZINC000255612592 729643914 /nfs/dbraw/zinc/64/39/14/729643914.db2.gz GDROWWYNOXNTHH-MFBWXBCUSA-N -1 1 353.143 2.816 20 30 FFEDMM C=CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000312781890 729744038 /nfs/dbraw/zinc/74/40/38/729744038.db2.gz NIFJVHDOOSHQFA-UHFFFAOYSA-N -1 1 363.233 2.992 20 30 FFEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859159147 730443763 /nfs/dbraw/zinc/44/37/63/730443763.db2.gz KQQXJUTXBHECGK-UHFFFAOYSA-N -1 1 364.240 2.591 20 30 FFEDMM C[C@@H](Nc1ccc(OCCS(C)(=O)=O)cc1)c1cccc(C#N)c1[O-] ZINC000866385096 731054150 /nfs/dbraw/zinc/05/41/50/731054150.db2.gz ICYZKAKXKHCGJE-CYBMUJFWSA-N -1 1 360.435 2.860 20 30 FFEDMM CC1(C#N)CCN(C(=O)c2ccc(I)cc2[O-])CC1 ZINC000867288307 731165814 /nfs/dbraw/zinc/16/58/14/731165814.db2.gz RIKBODCVDDVXKQ-UHFFFAOYSA-N -1 1 370.190 2.763 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000775384406 738089226 /nfs/dbraw/zinc/08/92/26/738089226.db2.gz JDUXUTDVXHACPE-HNNXBMFYSA-N -1 1 356.447 2.856 20 30 FFEDMM C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871095795 731594426 /nfs/dbraw/zinc/59/44/26/731594426.db2.gz DKSMOZXVSVLTEJ-OAHLLOKOSA-N -1 1 359.396 2.625 20 30 FFEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCc2cc(C#N)ccc21 ZINC000872497996 731781294 /nfs/dbraw/zinc/78/12/94/731781294.db2.gz PRNJTHJDOUYHLW-IQMFZBJNSA-N -1 1 369.512 2.666 20 30 FFEDMM O=C(c1ccc(Br)c([O-])c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887775216 733974470 /nfs/dbraw/zinc/97/44/70/733974470.db2.gz MRBDTECPVRYXLO-UHFFFAOYSA-N -1 1 366.211 2.633 20 30 FFEDMM N#Cc1ccc([C@@H](OC(=O)c2ccc(Cl)c(Cl)c2[O-])C(N)=O)cc1 ZINC000734583055 734904544 /nfs/dbraw/zinc/90/45/44/734904544.db2.gz QGJQSBWCBZMSBF-CQSZACIVSA-N -1 1 365.172 2.954 20 30 FFEDMM C=C(Cl)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000736241961 734978666 /nfs/dbraw/zinc/97/86/66/734978666.db2.gz GLIUGPFTYLCJBG-UHFFFAOYSA-N -1 1 350.827 2.970 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCOC2=O)cc1 ZINC000740810823 735088896 /nfs/dbraw/zinc/08/88/96/735088896.db2.gz ANDNYRHKGWMUNU-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000741657991 735154738 /nfs/dbraw/zinc/15/47/38/735154738.db2.gz KTDSFMWHLSUXQH-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM O=C1C=COC2(CCN(Cc3ccc(Br)cc3O)CC2)C1 ZINC000897599426 735253276 /nfs/dbraw/zinc/25/32/76/735253276.db2.gz KMIJSRVDJHYBDR-UHFFFAOYSA-N -1 1 352.228 2.992 20 30 FFEDMM CC(C)CO[C@@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000748248718 735630250 /nfs/dbraw/zinc/63/02/50/735630250.db2.gz VRMWFROWLCXNJG-OAHLLOKOSA-N -1 1 369.443 2.700 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(C(F)(F)F)cc1 ZINC000748255244 735630747 /nfs/dbraw/zinc/63/07/47/735630747.db2.gz SKNZBCGYYQITOP-UHFFFAOYSA-N -1 1 373.312 2.926 20 30 FFEDMM CCN(C[C@@H](C)C#N)C(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901619343 735806530 /nfs/dbraw/zinc/80/65/30/735806530.db2.gz OOEHJFDZLOQHCR-ZDUSSCGKSA-N -1 1 356.451 2.949 20 30 FFEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c1 ZINC000901771847 735836428 /nfs/dbraw/zinc/83/64/28/735836428.db2.gz NEHYZWRNCXZFAJ-LLVKDONJSA-N -1 1 356.753 2.609 20 30 FFEDMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)ccc1O ZINC000751215769 735854506 /nfs/dbraw/zinc/85/45/06/735854506.db2.gz VIVAZZVJFWEKBF-UHFFFAOYSA-N -1 1 360.391 2.886 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)cs2)cc1OC ZINC000752160454 735961943 /nfs/dbraw/zinc/96/19/43/735961943.db2.gz JRSVDBUFOWSUEF-GFCCVEGCSA-N -1 1 355.375 2.598 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C[C@H]1CCCc2ccccc21 ZINC000752168422 735962333 /nfs/dbraw/zinc/96/23/33/735962333.db2.gz LELGXDURQQZGCI-CQSZACIVSA-N -1 1 359.407 2.979 20 30 FFEDMM C#CCOc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000753777937 736093602 /nfs/dbraw/zinc/09/36/02/736093602.db2.gz BMYRZOHXKXBVKA-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(S(C)(=O)=O)cc1 ZINC000756901688 736371785 /nfs/dbraw/zinc/37/17/85/736371785.db2.gz WOOGQUKQRWFYTF-UHFFFAOYSA-N -1 1 362.407 2.633 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(F)(F)F)c1 ZINC000758167448 736458107 /nfs/dbraw/zinc/45/81/07/736458107.db2.gz ZXTBQSPFLJQAFW-AWEZNQCLSA-N -1 1 356.325 2.955 20 30 FFEDMM C=CCC[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124490 736888000 /nfs/dbraw/zinc/88/80/00/736888000.db2.gz ZKNCYFKCGNYAAA-HUUCEWRRSA-N -1 1 353.850 2.661 20 30 FFEDMM CCOc1cc(C(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000911703753 737225822 /nfs/dbraw/zinc/22/58/22/737225822.db2.gz PSYQUOVTSWQHMU-RYUDHWBXSA-N -1 1 351.834 2.503 20 30 FFEDMM Cc1cc(C=Nn2c(=O)cn[n-]c2=S)c(C)n1-c1ccc(Cl)cc1 ZINC000766477880 737233208 /nfs/dbraw/zinc/23/32/08/737233208.db2.gz KZUQVMRAEMUYKQ-UHFFFAOYSA-N -1 1 359.842 2.870 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)ccc1C#N ZINC000766547052 737240648 /nfs/dbraw/zinc/24/06/48/737240648.db2.gz IOXNHDFZLMTPGS-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM CCC[C@@H](C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000769740125 737559761 /nfs/dbraw/zinc/55/97/61/737559761.db2.gz CLQQYUKBRYWQSD-JTQLQIEISA-N -1 1 359.304 2.925 20 30 FFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000915041126 737603325 /nfs/dbraw/zinc/60/33/25/737603325.db2.gz MGQJIVQYDMBGFK-RKFFSXRUSA-N -1 1 368.402 2.670 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000770663034 737650207 /nfs/dbraw/zinc/65/02/07/737650207.db2.gz OOTWZISERGVPJK-AWEZNQCLSA-N -1 1 357.435 2.973 20 30 FFEDMM COc1c([O-])c(C=NNC(=S)Nc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000773003896 737863188 /nfs/dbraw/zinc/86/31/88/737863188.db2.gz CSZRJQNEVCPAMT-UHFFFAOYSA-N -1 1 364.358 2.769 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2csc(-c3ccsc3)n2)c2ccccc21 ZINC000920374907 737903459 /nfs/dbraw/zinc/90/34/59/737903459.db2.gz CPLDIOXGPNVLDO-UHFFFAOYSA-N -1 1 374.472 2.944 20 30 FFEDMM COC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1 ZINC000785598465 738980065 /nfs/dbraw/zinc/98/00/65/738980065.db2.gz PAHDEBYROPMLGZ-HNNXBMFYSA-N -1 1 358.781 2.951 20 30 FFEDMM N#Cc1ccsc1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000931839351 739338252 /nfs/dbraw/zinc/33/82/52/739338252.db2.gz MMGANCWKFVUSJM-UHFFFAOYSA-N -1 1 360.361 2.542 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C/C=C\c1ccc(F)c(F)c1 ZINC000794915371 739942077 /nfs/dbraw/zinc/94/20/77/739942077.db2.gz NWARHRIWIISTMZ-BCZIFPQJSA-N -1 1 367.333 2.851 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC000795798209 740064985 /nfs/dbraw/zinc/06/49/85/740064985.db2.gz LPBOTEYLQXOSBH-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM C=CC[C@H](CCc1ccccc1)OC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000797565605 740257161 /nfs/dbraw/zinc/25/71/61/740257161.db2.gz YCPQZMKITYGIFK-MRXNPFEDSA-N -1 1 363.435 2.922 20 30 FFEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809846250 741353404 /nfs/dbraw/zinc/35/34/04/741353404.db2.gz FEKOMERYZQPPLI-UHFFFAOYSA-N -1 1 363.798 2.996 20 30 FFEDMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC000811833595 741565241 /nfs/dbraw/zinc/56/52/41/741565241.db2.gz JUYSIHOHJQKBDL-WTKPLQERSA-N -1 1 360.366 2.684 20 30 FFEDMM CN(C)S(=O)(=O)c1ccc(NN=Cc2ccc([O-])c(Cl)c2)cc1 ZINC000812231785 741598997 /nfs/dbraw/zinc/59/89/97/741598997.db2.gz FGJSGYNDQXJDPZ-UHFFFAOYSA-N -1 1 353.831 2.742 20 30 FFEDMM C=C(CC)CNC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817786050 742213604 /nfs/dbraw/zinc/21/36/04/742213604.db2.gz QGUFGFHWKOPUSJ-ZDUSSCGKSA-N -1 1 355.360 2.772 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(F)c(F)cc2F)o1 ZINC000820197064 742473916 /nfs/dbraw/zinc/47/39/16/742473916.db2.gz FQQSXLHWQSKGHZ-UHFFFAOYSA-N -1 1 351.292 2.841 20 30 FFEDMM C#CCSCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830648257 745397171 /nfs/dbraw/zinc/39/71/71/745397171.db2.gz DHDYWVQFQTVQSU-UHFFFAOYSA-N -1 1 369.251 2.546 20 30 FFEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000831985141 745614813 /nfs/dbraw/zinc/61/48/13/745614813.db2.gz AKVLNLIWAGJVOO-IUCAKERBSA-N -1 1 361.782 2.748 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC(C)(C)CCC#N ZINC000847372362 748688031 /nfs/dbraw/zinc/68/80/31/748688031.db2.gz JPIUNKHGBMEPSM-VXGBXAGGSA-N -1 1 362.396 2.557 20 30 FFEDMM N#Cc1ncn(CC(=O)c2ccc(C3CCCCC3)cc2)c1-c1nn[n-]n1 ZINC000826388100 948192652 /nfs/dbraw/zinc/19/26/52/948192652.db2.gz IMWXBTIRPZLWFB-UHFFFAOYSA-N -1 1 361.409 2.865 20 30 FFEDMM CCn1nccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000122851600 962914660 /nfs/dbraw/zinc/91/46/60/962914660.db2.gz AKMNTSBTYSBZBG-NSHDSACASA-N -1 1 367.434 2.570 20 30 FFEDMM C[C@@H](O[N-]C(=O)CCCc1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000160777291 963496757 /nfs/dbraw/zinc/49/67/57/963496757.db2.gz NLQUCOHOZZHSNT-OAHLLOKOSA-N -1 1 351.406 2.956 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1[O-] ZINC001175943214 1013585160 /nfs/dbraw/zinc/58/51/60/1013585160.db2.gz DMBWDIOVIOAJLF-ZBFHGGJFSA-N -1 1 364.323 2.528 20 30 FFEDMM C#CCNC(=O)[C@H]1CC12CCN(C(=O)c1ccc3sccc3c1[O-])CC2 ZINC001271026707 967976294 /nfs/dbraw/zinc/97/62/94/967976294.db2.gz OFYINUTWSNMVOF-OAHLLOKOSA-N -1 1 368.458 2.599 20 30 FFEDMM C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC000976566279 974258543 /nfs/dbraw/zinc/25/85/43/974258543.db2.gz DHDKATYZXOAFKL-HZPDHXFCSA-N -1 1 357.454 2.691 20 30 FFEDMM Cc1cc(Cl)c(C#N)c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167932801 978147011 /nfs/dbraw/zinc/14/70/11/978147011.db2.gz YAFZPNIUWAJVGF-UHFFFAOYSA-N -1 1 363.741 3.000 20 30 FFEDMM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)ccc1OC ZINC000904048356 980176427 /nfs/dbraw/zinc/17/64/27/980176427.db2.gz PPVIPFWPSRUQPA-SFHVURJKSA-N -1 1 359.426 2.608 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908914056 981566439 /nfs/dbraw/zinc/56/64/39/981566439.db2.gz UKWSDPJXQKJCQJ-QAPCUYQASA-N -1 1 359.470 2.542 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908914056 981566445 /nfs/dbraw/zinc/56/64/45/981566445.db2.gz UKWSDPJXQKJCQJ-QAPCUYQASA-N -1 1 359.470 2.542 20 30 FFEDMM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742874 986884813 /nfs/dbraw/zinc/88/48/13/986884813.db2.gz ZFCVXBHLFMCHGO-UHFFFAOYSA-N -1 1 358.405 2.758 20 30 FFEDMM CCc1[nH]c(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1C(=O)[O-] ZINC001597386761 987607790 /nfs/dbraw/zinc/60/77/90/987607790.db2.gz OPTNIJBZZQQXFN-AWEZNQCLSA-N -1 1 353.426 2.618 20 30 FFEDMM CCc1[nH]c(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1C(=O)[O-] ZINC001597386761 987607795 /nfs/dbraw/zinc/60/77/95/987607795.db2.gz OPTNIJBZZQQXFN-AWEZNQCLSA-N -1 1 353.426 2.618 20 30 FFEDMM N#Cc1ccc2c(c1)N(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)CC2 ZINC000762504624 988420132 /nfs/dbraw/zinc/42/01/32/988420132.db2.gz UWHJUSNUOVGRBN-UHFFFAOYSA-N -1 1 351.312 2.881 20 30 FFEDMM C#CCOCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000762711368 988600104 /nfs/dbraw/zinc/60/01/04/988600104.db2.gz JPWIPFKQIVILMM-UHFFFAOYSA-N -1 1 373.430 2.602 20 30 FFEDMM CCOC(=O)c1c[n-]c(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1 ZINC001128846586 989937538 /nfs/dbraw/zinc/93/75/38/989937538.db2.gz DTESSVKFUFQLRR-UHFFFAOYSA-N -1 1 351.284 2.595 20 30 FFEDMM CCN1CCC[C@H]1Cn1c(C)cc(C=NNc2[n-]cnc3ncnc2-3)c1C ZINC000917555234 990242652 /nfs/dbraw/zinc/24/26/52/990242652.db2.gz IEMYBOJXRDWENR-INIZCTEOSA-N -1 1 366.473 2.702 20 30 FFEDMM CCN1CCC[C@@H]1Cn1c(C)cc(C=NNc2[n-]cnc3ncnc2-3)c1C ZINC000917555243 990243335 /nfs/dbraw/zinc/24/33/35/990243335.db2.gz IEMYBOJXRDWENR-MRXNPFEDSA-N -1 1 366.473 2.702 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(Cc3cccc4cccnc43)CC2)cc1[O-] ZINC000785480390 990847960 /nfs/dbraw/zinc/84/79/60/990847960.db2.gz HCWPDHDTDBVIAH-UHFFFAOYSA-N -1 1 372.428 2.770 20 30 FFEDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809649085 994566921 /nfs/dbraw/zinc/56/69/21/994566921.db2.gz YCWBHTCINNDAAS-OAHLLOKOSA-N -1 1 359.426 2.735 20 30 FFEDMM C#C[C@@H](CC)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000812024975 995324866 /nfs/dbraw/zinc/32/48/66/995324866.db2.gz YJVLZGITVPSDEJ-INIZCTEOSA-N -1 1 371.462 2.698 20 30 FFEDMM NC(=O)c1cc(-c2csc(=NC3CC3)n2N=Cc2ccoc2)ccc1[O-] ZINC000727252738 995728265 /nfs/dbraw/zinc/72/82/65/995728265.db2.gz MUOJERYDQCMHNX-UHFFFAOYSA-N -1 1 368.418 2.559 20 30 FFEDMM N#CN=C(NC([O-])=Cc1ccc(F)c(C(F)(F)F)c1)c1ccncc1 ZINC001143694924 997538850 /nfs/dbraw/zinc/53/88/50/997538850.db2.gz ZWNWQTVYKMEWIZ-UHFFFAOYSA-N -1 1 350.275 2.826 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000730996235 997610359 /nfs/dbraw/zinc/61/03/59/997610359.db2.gz JCXIMJOYTJNPPW-UHFFFAOYSA-N -1 1 370.430 2.774 20 30 FFEDMM CCc1c2cc(C)ccc2oc1C(C)=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000731155122 997717535 /nfs/dbraw/zinc/71/75/35/997717535.db2.gz UASCGWMTYLDWJS-UHFFFAOYSA-N -1 1 350.382 2.885 20 30 FFEDMM CCCN(CCC)c1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000731157502 997719586 /nfs/dbraw/zinc/71/95/86/997719586.db2.gz MNMBTDPEMXQDBU-UHFFFAOYSA-N -1 1 353.430 2.504 20 30 FFEDMM Cn1ncc2c1nc(N=NC1CCCOc3cc4c(cc31)CCC4)[n-]c2=O ZINC000769819926 1000599626 /nfs/dbraw/zinc/59/96/26/1000599626.db2.gz ZDEQKJBKWNSZOZ-UHFFFAOYSA-N -1 1 364.409 2.546 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1[O-] ZINC000785606532 1001457796 /nfs/dbraw/zinc/45/77/96/1001457796.db2.gz LHRGMPXUERXDIB-HNNXBMFYSA-N -1 1 366.295 2.626 20 30 FFEDMM CC1(C)C(=NN=C2[N-]S(=O)(=O)c3ccccc32)C[C@H]1Oc1ccccc1 ZINC000788991734 1001931437 /nfs/dbraw/zinc/93/14/37/1001931437.db2.gz PICOQEMJBUUMJF-QGZVFWFLSA-N -1 1 369.446 2.959 20 30 FFEDMM COc1ccc([C@H]2C[C@@H]2C(C)=NNc2nc(=O)c3cnn(C)c3[n-]2)cc1 ZINC000789018481 1001945625 /nfs/dbraw/zinc/94/56/25/1001945625.db2.gz VTMWHIWBNZUDBD-ZIAGYGMSSA-N -1 1 352.398 2.669 20 30 FFEDMM COc1cc(CCC#N)c(NCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC001170315407 1003106814 /nfs/dbraw/zinc/10/68/14/1003106814.db2.gz XLIFZOQKEGHWEA-UHFFFAOYSA-N -1 1 356.378 2.866 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC[C@@H](n4cncn4)C3)c2)c1 ZINC001196315448 1003732920 /nfs/dbraw/zinc/73/29/20/1003732920.db2.gz DMNVJYZURHHSOQ-LJQANCHMSA-N -1 1 373.416 3.000 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCCc3nncs3)c2)c1 ZINC001196330458 1003744453 /nfs/dbraw/zinc/74/44/53/1003744453.db2.gz RHIIAOARILDLAV-UHFFFAOYSA-N -1 1 350.403 2.755 20 30 FFEDMM N#Cc1cnc(CNC(=O)c2ccccc2C(=O)c2ccc([O-])cc2)s1 ZINC001191518382 1003862837 /nfs/dbraw/zinc/86/28/37/1003862837.db2.gz QXFJFQNJJXDFJK-UHFFFAOYSA-N -1 1 363.398 2.881 20 30 FFEDMM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1ccc(F)c(OC(C)C)c1F ZINC001196922160 1004001413 /nfs/dbraw/zinc/00/14/13/1004001413.db2.gz WBQIIBZJDDQWII-UHFFFAOYSA-N -1 1 364.308 2.687 20 30 FFEDMM N#CC1([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)Cc2ccccc2C1 ZINC001191932479 1004001953 /nfs/dbraw/zinc/00/19/53/1004001953.db2.gz OTWJFJKEJMNOAN-UHFFFAOYSA-N -1 1 364.829 2.960 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)c1 ZINC001197114756 1004090076 /nfs/dbraw/zinc/09/00/76/1004090076.db2.gz IIWHXUBAXOQGDF-VOTSOKGWSA-N -1 1 374.393 2.993 20 30 FFEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1 ZINC000806558765 1004361398 /nfs/dbraw/zinc/36/13/98/1004361398.db2.gz KZLWRCDYYXIFNW-ZZXKWVIFSA-N -1 1 358.262 2.803 20 30 FFEDMM COc1ccccc1-n1nc(C(C)(C)C)cc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193106243 1004375568 /nfs/dbraw/zinc/37/55/68/1004375568.db2.gz FBCFBLXGKWNXJL-GFCCVEGCSA-N -1 1 362.455 2.832 20 30 FFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001193149125 1004391073 /nfs/dbraw/zinc/39/10/73/1004391073.db2.gz MCGGIBMAKDHKPN-LLVKDONJSA-N -1 1 351.428 2.591 20 30 FFEDMM N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC001194010585 1004629967 /nfs/dbraw/zinc/62/99/67/1004629967.db2.gz MMGBFDPBSJNUKN-UHFFFAOYSA-N -1 1 372.736 2.989 20 30 FFEDMM N#Cc1cnc(NC(=O)c2c[n-]c(C(F)(F)F)n2)c(Br)c1 ZINC001194770920 1004815416 /nfs/dbraw/zinc/81/54/16/1004815416.db2.gz UDHKOMXDNDBOGC-UHFFFAOYSA-N -1 1 360.093 2.710 20 30 FFEDMM N#Cc1coc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC001195510901 1004969807 /nfs/dbraw/zinc/96/98/07/1004969807.db2.gz CJQZYXWSHAVJPI-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM CCN1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3[O-])cc2F)CC1 ZINC001195751857 1005039371 /nfs/dbraw/zinc/03/93/71/1005039371.db2.gz YLSWFKVXFPSEJE-UHFFFAOYSA-N -1 1 368.412 2.797 20 30 FFEDMM CCCCCCCCCCS(=O)(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001201836865 1005276847 /nfs/dbraw/zinc/27/68/47/1005276847.db2.gz HOIYXGRXPKLSAG-UHFFFAOYSA-N -1 1 355.464 2.941 20 30 FFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(=O)OC)oc2C)cc1 ZINC000850760945 1005837287 /nfs/dbraw/zinc/83/72/87/1005837287.db2.gz YFUZQMBXAQVFKJ-OAHLLOKOSA-N -1 1 354.362 2.898 20 30 FFEDMM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000776641032 1006283023 /nfs/dbraw/zinc/28/30/23/1006283023.db2.gz MNRGDEPSOMJPRN-MRXNPFEDSA-N -1 1 357.454 2.813 20 30 FFEDMM C[C@H]1C(=NNc2nc(=O)c3cnn(C)c3[n-]2)CCCN1Cc1ccccc1 ZINC000814848506 1006450185 /nfs/dbraw/zinc/45/01/85/1006450185.db2.gz VMXOKVHZBGNCOG-ZDUSSCGKSA-N -1 1 365.441 2.521 20 30 FFEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189055327 1006872285 /nfs/dbraw/zinc/87/22/85/1006872285.db2.gz URWNDSZQZJRIAA-ZETCQYMHSA-N -1 1 353.188 2.698 20 30 FFEDMM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1F ZINC001116195357 1032184538 /nfs/dbraw/zinc/18/45/38/1032184538.db2.gz CRNIJFAPFUWJAT-UHFFFAOYSA-N -1 1 363.370 2.871 20 30 FFEDMM Cc1nc(-c2cccnc2)sc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001190183946 1007509507 /nfs/dbraw/zinc/50/95/07/1007509507.db2.gz OJSZAZDRWOLMER-UHFFFAOYSA-N -1 1 353.407 2.953 20 30 FFEDMM N#Cc1cccc2[nH]nc(NC(=O)c3cnc(-c4ccccc4)[n-]c3=O)c21 ZINC001190260490 1007544637 /nfs/dbraw/zinc/54/46/37/1007544637.db2.gz GMVCBYJYUWSSQA-UHFFFAOYSA-N -1 1 356.345 2.849 20 30 FFEDMM N#CC1(NC(=O)c2cnc(-c3ccccc3)nc2O)Cc2ccccc2C1 ZINC001190268920 1007550924 /nfs/dbraw/zinc/55/09/24/1007550924.db2.gz BLKOEBBPKMVIAX-UHFFFAOYSA-N -1 1 356.385 2.640 20 30 FFEDMM N#CC1(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)Cc2ccccc2C1 ZINC001190268920 1007550933 /nfs/dbraw/zinc/55/09/33/1007550933.db2.gz BLKOEBBPKMVIAX-UHFFFAOYSA-N -1 1 356.385 2.640 20 30 FFEDMM C=CCCO[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817492186 1007619234 /nfs/dbraw/zinc/61/92/34/1007619234.db2.gz HVWFKSQORRFIGR-JSGCOSHPSA-N -1 1 370.371 2.604 20 30 FFEDMM C#CCCCCNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817777521 1007742982 /nfs/dbraw/zinc/74/29/82/1007742982.db2.gz VGNLXKXGELBHCI-CQSZACIVSA-N -1 1 367.371 2.609 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)OCCCOc2cccc(C#N)c2)c1 ZINC000821352211 1008449030 /nfs/dbraw/zinc/44/90/30/1008449030.db2.gz HJUVELYDRXRPQC-AREMUKBSSA-N -1 1 373.430 2.687 20 30 FFEDMM N#Cc1ccc(N2CCC(NC(=O)c3ncc4ccccc4c3[O-])CC2)nc1 ZINC001136583533 1008605833 /nfs/dbraw/zinc/60/58/33/1008605833.db2.gz YKJKOGKFAGOUDT-UHFFFAOYSA-N -1 1 373.416 2.606 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)C(O)(c1cccs1)c1cccs1 ZINC001177769147 1008739210 /nfs/dbraw/zinc/73/92/10/1008739210.db2.gz VRLXKEUYFRUUKW-UHFFFAOYSA-N -1 1 373.459 2.871 20 30 FFEDMM N#Cc1ccc(C[C@H](C#N)C(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001178785571 1009124225 /nfs/dbraw/zinc/12/42/25/1009124225.db2.gz XCZNLNFHXCWSCM-CQSZACIVSA-N -1 1 355.344 2.583 20 30 FFEDMM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000773783464 1009178922 /nfs/dbraw/zinc/17/89/22/1009178922.db2.gz DJWSLGNLDMVTGI-IUODEOHRSA-N -1 1 359.426 2.782 20 30 FFEDMM COc1ccc(C(=O)CCC(=O)N([O-])C(=N)c2ccccc2N)cc1F ZINC001179824639 1009473452 /nfs/dbraw/zinc/47/34/52/1009473452.db2.gz NSLSALJNXFWKBR-UHFFFAOYSA-N -1 1 359.357 2.623 20 30 FFEDMM N#Cc1ccc(N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)nn1 ZINC000866142851 1010937190 /nfs/dbraw/zinc/93/71/90/1010937190.db2.gz KBGSWSLLGOYCBY-NSHDSACASA-N -1 1 361.327 2.652 20 30 FFEDMM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1ccc(F)c([O-])c1)CC2 ZINC001274817575 1011668530 /nfs/dbraw/zinc/66/85/30/1011668530.db2.gz DUDYFYKGAJHOKN-UHFFFAOYSA-N -1 1 360.429 2.952 20 30 FFEDMM COc1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc(Cl)c1[O-] ZINC000870095641 1012129918 /nfs/dbraw/zinc/12/99/18/1012129918.db2.gz FLOHCWXRWJFXTE-UHFFFAOYSA-N -1 1 371.824 2.888 20 30 FFEDMM CCOCn1nc(C)c(C[C@H](C)C(=O)[N-]Oc2cccc(C#N)c2)c1C ZINC000870690896 1012528177 /nfs/dbraw/zinc/52/81/77/1012528177.db2.gz WGEKCWCYRFZSPL-ZDUSSCGKSA-N -1 1 356.426 2.654 20 30 FFEDMM CN1CCc2cc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)ccc2C1=O ZINC000901682663 1019344974 /nfs/dbraw/zinc/34/49/74/1019344974.db2.gz STDWGDIFTPATLT-UHFFFAOYSA-N -1 1 369.446 2.572 20 30 FFEDMM CCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc21 ZINC000901844237 1019513952 /nfs/dbraw/zinc/51/39/52/1019513952.db2.gz GRYKKOCDVMTUEM-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM C=CCn1c(CC(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000800773648 1020537929 /nfs/dbraw/zinc/53/79/29/1020537929.db2.gz JUWFJNLAPLWMSX-UHFFFAOYSA-N -1 1 373.423 2.558 20 30 FFEDMM C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000829102700 1033009603 /nfs/dbraw/zinc/00/96/03/1033009603.db2.gz MCXUXBYGHZGLFA-OLZOCXBDSA-N -1 1 373.423 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358.401 2.774 20 30 FFEDMM Cc1cccnc1[C@H]1CCCC(=NNc2nc(=O)c3cnn(C)c3[n-]2)C1 ZINC000799109257 1031650991 /nfs/dbraw/zinc/65/09/91/1031650991.db2.gz AVHKLFOEIQMCQZ-LBPRGKRZSA-N -1 1 351.414 2.898 20 30 FFEDMM C=CCOC[C@H]1CN(Cc2cccc(F)c2[O-])Cc2nnn(CC3CC3)c21 ZINC001138125588 1033803449 /nfs/dbraw/zinc/80/34/49/1033803449.db2.gz SYAPSFTYRGPHLG-MRXNPFEDSA-N -1 1 372.444 2.835 20 30 FFEDMM C=C1CCC(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000831002239 1033907711 /nfs/dbraw/zinc/90/77/11/1033907711.db2.gz UDNUQSYMDUQWFP-UHFFFAOYSA-N -1 1 352.438 2.545 20 30 FFEDMM [O-]/N=C/c1ccnc(O[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC001226252951 1034595470 /nfs/dbraw/zinc/59/54/70/1034595470.db2.gz CAIOTWNMGLIONR-QOSBVPTNSA-N -1 1 350.172 2.950 20 30 FFEDMM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487378 1034707269 /nfs/dbraw/zinc/70/72/69/1034707269.db2.gz WGWYXAZOAPWETF-CQSZACIVSA-N -1 1 374.465 2.998 20 30 FFEDMM C=C(C)C(=O)OC[C@H](C)Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)C2 ZINC001226619669 1034760882 /nfs/dbraw/zinc/76/08/82/1034760882.db2.gz PTKCQZIOGNHXHK-AWEZNQCLSA-N -1 1 369.421 2.585 20 30 FFEDMM C=CCN(CC=C)C(=O)CNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000834668813 1035426917 /nfs/dbraw/zinc/42/69/17/1035426917.db2.gz OKGGSUSARPENCW-UHFFFAOYSA-N -1 1 369.387 2.786 20 30 FFEDMM CC[C@@H](C#CC(=O)OC)Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227310565 1035502600 /nfs/dbraw/zinc/50/26/00/1035502600.db2.gz VQBJHMAMJOFKEO-NSHDSACASA-N -1 1 368.341 2.691 20 30 FFEDMM N#Cc1c([O-])ccc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)c1C#N ZINC001227622667 1035642394 /nfs/dbraw/zinc/64/23/94/1035642394.db2.gz MQTBYPZDETWQTR-NSHDSACASA-N -1 1 368.324 2.841 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@H](OCCOc2ccc([O-])c(C#N)c2C#N)C1 ZINC001227621867 1035642996 /nfs/dbraw/zinc/64/29/96/1035642996.db2.gz GNMGWQJIQOMNFA-ZDUSSCGKSA-N -1 1 373.409 2.540 20 30 FFEDMM C=C1O[C@H](C)C(=O)C1Oc1ccccc1S(=O)(=O)c1ccc([O-])cc1 ZINC001229582189 1036759471 /nfs/dbraw/zinc/75/94/71/1036759471.db2.gz NKHBCMNPIWZBKJ-LLVKDONJSA-N -1 1 360.387 2.823 20 30 FFEDMM CC[C@@H](C#CC(=O)OC)Oc1ccccc1S(=O)(=O)c1ccc([O-])cc1 ZINC001229586328 1036765298 /nfs/dbraw/zinc/76/52/98/1036765298.db2.gz ZNPAEDYRHRGFFR-HNNXBMFYSA-N -1 1 374.414 2.559 20 30 FFEDMM COc1cc(/C=N/[O-])ccc1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001233799083 1036770668 /nfs/dbraw/zinc/77/06/68/1036770668.db2.gz FQIUMLWDMZENAP-OZHDABILSA-N -1 1 361.398 2.641 20 30 FFEDMM C=C[C@H](Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O)C(=O)OC ZINC001229828718 1036922932 /nfs/dbraw/zinc/92/29/32/1036922932.db2.gz DTZGWKAZIJRRDE-HNNXBMFYSA-N -1 1 352.342 2.582 20 30 FFEDMM C=C[C@@H](Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O)C(=O)OC ZINC001229828719 1036923322 /nfs/dbraw/zinc/92/33/22/1036923322.db2.gz DTZGWKAZIJRRDE-OAHLLOKOSA-N -1 1 352.342 2.582 20 30 FFEDMM C#C[C@H](CC)Oc1cc(C(=O)OC)cc([O-])c1I ZINC001234433921 1037035136 /nfs/dbraw/zinc/03/51/36/1037035136.db2.gz NBPRCDFNDPUFMR-SECBINFHSA-N -1 1 360.147 2.574 20 30 FFEDMM C#C[C@H](COc1cccc(Cl)c1)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234607111 1037109111 /nfs/dbraw/zinc/10/91/11/1037109111.db2.gz XZARLYUXAGPKBS-LLVKDONJSA-N -1 1 365.744 2.826 20 30 FFEDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)cc1OC ZINC001257102900 1038713363 /nfs/dbraw/zinc/71/33/63/1038713363.db2.gz AKWTULXRGLHNEE-UHFFFAOYSA-N -1 1 354.334 2.654 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)cnc2Br)cc1 ZINC001258035472 1039133817 /nfs/dbraw/zinc/13/38/17/1039133817.db2.gz COZNFIPIRSSNQM-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM CCCCCCC[C@H](C)[N@@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001258043925 1039140163 /nfs/dbraw/zinc/14/01/63/1039140163.db2.gz UZYMADMTMINBEP-KBPBESRZSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCCCC[C@H](C)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001258043925 1039140168 /nfs/dbraw/zinc/14/01/68/1039140168.db2.gz UZYMADMTMINBEP-KBPBESRZSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCCCC[C@H](C)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001258043925 1039140173 /nfs/dbraw/zinc/14/01/73/1039140173.db2.gz UZYMADMTMINBEP-KBPBESRZSA-N -1 1 356.469 2.751 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC001258136313 1039213753 /nfs/dbraw/zinc/21/37/53/1039213753.db2.gz UBXVFTOBKOZLOD-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1 ZINC001252502687 1039562433 /nfs/dbraw/zinc/56/24/33/1039562433.db2.gz BNUQVKJGCCWIPM-UHFFFAOYSA-N -1 1 355.419 2.680 20 30 FFEDMM N#Cc1ccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC001247243673 1039672132 /nfs/dbraw/zinc/67/21/32/1039672132.db2.gz JGPDSIPQVDZHRE-UHFFFAOYSA-N -1 1 354.435 2.909 20 30 FFEDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC001259324615 1039914969 /nfs/dbraw/zinc/91/49/69/1039914969.db2.gz MDMJKXWLSDDKRA-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c2cccnc12 ZINC001259357469 1039937629 /nfs/dbraw/zinc/93/76/29/1039937629.db2.gz HAOCDAMEYGJIMR-UHFFFAOYSA-N -1 1 351.387 2.842 20 30 FFEDMM N#Cc1cc(S(=O)(=O)Nc2cc(=O)[n-]n2C2CCCC2)ccc1F ZINC001259411827 1039984284 /nfs/dbraw/zinc/98/42/84/1039984284.db2.gz FTFHHOFWTLMMEI-UHFFFAOYSA-N -1 1 350.375 2.515 20 30 FFEDMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1C ZINC001259417665 1039988097 /nfs/dbraw/zinc/98/80/97/1039988097.db2.gz NYUSSEKKOJCQJS-UHFFFAOYSA-N -1 1 362.382 2.983 20 30 FFEDMM COC(=O)[N-]C(=S)N(c1cc(C#N)cc([N+](=O)[O-])c1)c1ccccc1N ZINC001211333029 1040084939 /nfs/dbraw/zinc/08/49/39/1040084939.db2.gz DPTIZJIOGQGPQC-UHFFFAOYSA-N -1 1 371.378 2.828 20 30 FFEDMM C=CCS(=O)(=O)[N-]c1ccc(I)c2cccnc12 ZINC001259931245 1040303689 /nfs/dbraw/zinc/30/36/89/1040303689.db2.gz ZWSOEDCNOPIDGI-UHFFFAOYSA-N -1 1 374.203 2.767 20 30 FFEDMM C=C1CCC(CNC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC001248543426 1040316882 /nfs/dbraw/zinc/31/68/82/1040316882.db2.gz FYALHJPQQWRWET-JSGCOSHPSA-N -1 1 361.408 2.974 20 30 FFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260332709 1040541774 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1046509006 /nfs/dbraw/zinc/50/90/06/1046509006.db2.gz WLIXGELYEHJHFW-AWEZNQCLSA-N -1 1 370.430 2.597 20 30 FFEDMM C=C[C@H](O)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC001540368938 1070865504 /nfs/dbraw/zinc/86/55/04/1070865504.db2.gz ZSQPGZWOQLDDLM-INIZCTEOSA-N -1 1 360.435 2.590 20 30 FFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001475318238 1048273974 /nfs/dbraw/zinc/27/39/74/1048273974.db2.gz XQLDMVNDKMIMBY-LBPRGKRZSA-N -1 1 351.211 2.982 20 30 FFEDMM C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001292274377 1049233955 /nfs/dbraw/zinc/23/39/55/1049233955.db2.gz VSMLKEIXNGYJKZ-AVYPCKFXSA-N -1 1 357.454 2.500 20 30 FFEDMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1)C(C)=O ZINC001330732914 1049299780 /nfs/dbraw/zinc/29/97/80/1049299780.db2.gz YLXSEAZRVREILO-UHFFFAOYSA-N -1 1 371.462 2.922 20 30 FFEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C(=O)NCCO3)n1 ZINC001342739863 1051355789 /nfs/dbraw/zinc/35/57/89/1051355789.db2.gz 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C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CC1CCOCC1 ZINC001520479062 1059716368 /nfs/dbraw/zinc/71/63/68/1059716368.db2.gz MAKATTDXOZQNQJ-UHFFFAOYSA-N -1 1 363.849 2.748 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC(C(C)=O)CC1 ZINC001520484693 1059722966 /nfs/dbraw/zinc/72/29/66/1059722966.db2.gz UVROWABYBKCOJO-UHFFFAOYSA-N -1 1 361.833 2.691 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2nc(C)cs2)C1 ZINC001515654007 1059734828 /nfs/dbraw/zinc/73/48/28/1059734828.db2.gz CIORVTJWBMLPER-GFCCVEGCSA-N -1 1 371.470 2.709 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)OCC ZINC001475580260 1061147418 /nfs/dbraw/zinc/14/74/18/1061147418.db2.gz WRYJEGLZXRSHLN-LLVKDONJSA-N -1 1 370.229 2.832 20 30 FFEDMM C#C[C@H]1CCCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2ccccc2)C1 ZINC001522115397 1061568159 /nfs/dbraw/zinc/56/81/59/1061568159.db2.gz XDRRVYHPXQPVAE-ZDUSSCGKSA-N -1 1 367.844 2.615 20 30 FFEDMM COc1cnc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)c(F)c1 ZINC001435634308 1062530380 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ZINC001590089712 1081001743 /nfs/dbraw/zinc/00/17/43/1081001743.db2.gz CFMNZBHGUYVLOZ-GFCCVEGCSA-N -1 1 360.425 2.795 20 30 FFEDMM CC1(C)CC[C@H](CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c2ccccc21 ZINC001590089712 1081001746 /nfs/dbraw/zinc/00/17/46/1081001746.db2.gz CFMNZBHGUYVLOZ-GFCCVEGCSA-N -1 1 360.425 2.795 20 30 FFEDMM CNc1ccc(C#N)cc1NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000285838651 257007296 /nfs/dbraw/zinc/00/72/96/257007296.db2.gz GGOVHMMXVRCMNH-UHFFFAOYSA-N -1 1 364.409 2.536 20 30 FFEDMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000288169724 257155902 /nfs/dbraw/zinc/15/59/02/257155902.db2.gz DJEIRSJNYJLYFS-UHFFFAOYSA-N -1 1 364.345 2.518 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366703555 512149134 /nfs/dbraw/zinc/14/91/34/512149134.db2.gz PYHCKFZSXZBTAX-XLIONFOSSA-N -1 1 372.465 2.978 20 30 FFEDMM CC(C)n1c(CCNC(=O)CSc2ccc(C#N)cc2)n[n-]c1=S ZINC000067072592 506746655 /nfs/dbraw/zinc/74/66/55/506746655.db2.gz OQNOVEOVXGJFTC-UHFFFAOYSA-N -1 1 361.496 2.844 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)c1 ZINC000055618930 506800504 /nfs/dbraw/zinc/80/05/04/506800504.db2.gz MZWGTYMJXFEFEW-UHFFFAOYSA-N -1 1 364.398 2.551 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)ccc1Cl ZINC000055686618 506825639 /nfs/dbraw/zinc/82/56/39/506825639.db2.gz HDHRMHACLVNZFZ-UHFFFAOYSA-N -1 1 373.825 2.652 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc2C[C@H]1C ZINC000029967258 507798125 /nfs/dbraw/zinc/79/81/25/507798125.db2.gz UEELFGJWDDDCJF-CYBMUJFWSA-N -1 1 369.446 2.851 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1C(=O)NC(C)C ZINC000108762465 507916894 /nfs/dbraw/zinc/91/68/94/507916894.db2.gz YZTVFMXYDUYGJC-UHFFFAOYSA-N -1 1 357.435 2.806 20 30 FFEDMM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000075536054 508115122 /nfs/dbraw/zinc/11/51/22/508115122.db2.gz RBBDJEWAKIRDII-ZETCQYMHSA-N -1 1 351.329 2.961 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(Cl)n(C)nc2-c2ccccc2)c(=O)o1 ZINC000115961842 508458613 /nfs/dbraw/zinc/45/86/13/508458613.db2.gz UJBZDAKIPGGOOP-FDMDGMSGSA-N -1 1 370.792 2.969 20 30 FFEDMM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cs1 ZINC000157476559 508571635 /nfs/dbraw/zinc/57/16/35/508571635.db2.gz XIRWISISOFAGNL-VIFPVBQESA-N -1 1 366.424 2.525 20 30 FFEDMM Cc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cc1C#N ZINC000375583450 512406839 /nfs/dbraw/zinc/40/68/39/512406839.db2.gz KDEKWOAZTBWGKR-HNNXBMFYSA-N -1 1 370.775 2.692 20 30 FFEDMM C=CCCCCCN(C)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000128729218 508635257 /nfs/dbraw/zinc/63/52/57/508635257.db2.gz BKLBULJPOKBJGS-UHFFFAOYSA-N -1 1 354.454 2.888 20 30 FFEDMM C=C(C)COCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000136144541 508674270 /nfs/dbraw/zinc/67/42/70/508674270.db2.gz BTCQPKPTSNNEHK-UHFFFAOYSA-N -1 1 374.462 2.810 20 30 FFEDMM CCN(C[C@@H](C)C#N)C(=O)c1cc(I)ccc1[O-] ZINC000119037959 508711256 /nfs/dbraw/zinc/71/12/56/508711256.db2.gz WNCXCXCPPBABEV-VIFPVBQESA-N -1 1 358.179 2.619 20 30 FFEDMM C=CCN(C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000119070847 508719121 /nfs/dbraw/zinc/71/91/21/508719121.db2.gz QTCKXUOUOBQYSM-UHFFFAOYSA-N -1 1 359.451 2.815 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)cc1F ZINC000156155782 509135864 /nfs/dbraw/zinc/13/58/64/509135864.db2.gz CGABNWWUHYEPSD-SECBINFHSA-N -1 1 367.333 2.784 20 30 FFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000179026779 509231061 /nfs/dbraw/zinc/23/10/61/509231061.db2.gz WVAPLJNWNVINNK-UHFFFAOYSA-N -1 1 355.419 2.942 20 30 FFEDMM C=C[C@@](C)(CC)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000189033057 509378891 /nfs/dbraw/zinc/37/88/91/509378891.db2.gz VLADDNFVWGXNKM-KRWDZBQOSA-N -1 1 352.456 2.718 20 30 FFEDMM N#C[C@@H](C(=O)Nc1nccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000179472063 509462694 /nfs/dbraw/zinc/46/26/94/509462694.db2.gz XSTZLYBSIDUBTN-SECBINFHSA-N -1 1 371.447 2.566 20 30 FFEDMM COc1ncnc(OC)c1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000264696637 509651578 /nfs/dbraw/zinc/65/15/78/509651578.db2.gz PBPKZRNSTJPUMQ-LLVKDONJSA-N -1 1 358.423 2.998 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000171004156 509885609 /nfs/dbraw/zinc/88/56/09/509885609.db2.gz UIKJKSYPXLDABK-CQSZACIVSA-N -1 1 361.398 2.658 20 30 FFEDMM C=CCn1c(-c2sc(NC(=O)[C@@H]3CCCOC3)nc2C)n[n-]c1=S ZINC000171291529 510057661 /nfs/dbraw/zinc/05/76/61/510057661.db2.gz WFEVRNVBDZFRLO-SNVBAGLBSA-N -1 1 365.484 2.924 20 30 FFEDMM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190668317 510273948 /nfs/dbraw/zinc/27/39/48/510273948.db2.gz QCZVENULDLHRKB-ZCFIWIBFSA-N -1 1 355.616 2.822 20 30 FFEDMM N#Cc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)nc1 ZINC000194563061 510424497 /nfs/dbraw/zinc/42/44/97/510424497.db2.gz UQFBFFSHMANHNF-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM CSc1nc(C)c(CCC(=O)NC2(c3cccc(C#N)c3)CC2)c(=O)[n-]1 ZINC000269608147 510481805 /nfs/dbraw/zinc/48/18/05/510481805.db2.gz LAOHOVNHOTWTOQ-UHFFFAOYSA-N -1 1 368.462 2.822 20 30 FFEDMM N#Cc1ccsc1N1CC[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1=O ZINC000188131918 510610016 /nfs/dbraw/zinc/61/00/16/510610016.db2.gz WVJYQCOACRCFQZ-LBPRGKRZSA-N -1 1 358.448 2.890 20 30 FFEDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1 ZINC000195065734 510656068 /nfs/dbraw/zinc/65/60/68/510656068.db2.gz BBXVIEKJHBERQT-GFCCVEGCSA-N -1 1 374.441 2.899 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000293907056 510894555 /nfs/dbraw/zinc/89/45/55/510894555.db2.gz OCMPTPSYOLRVSV-FPPHFASXSA-N -1 1 365.355 2.629 20 30 FFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000330327387 510964848 /nfs/dbraw/zinc/96/48/48/510964848.db2.gz KWFHEICAOWJZDC-TZMCWYRMSA-N -1 1 373.457 2.747 20 30 FFEDMM CCCCCCCCCCNC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000288869162 511087057 /nfs/dbraw/zinc/08/70/57/511087057.db2.gz QWCBFCNMEKWFRX-KQWNVCNZSA-N -1 1 359.474 2.537 20 30 FFEDMM CN(CCC#N)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301055492 511688337 /nfs/dbraw/zinc/68/83/37/511688337.db2.gz DANMTHPVWYWBGS-UHFFFAOYSA-N -1 1 360.395 2.745 20 30 FFEDMM CC(C)(CC#N)CNC(=O)c1cc(I)ccc1[O-] ZINC000315919420 511800579 /nfs/dbraw/zinc/80/05/79/511800579.db2.gz GCVBBFYGYIZKTA-UHFFFAOYSA-N -1 1 358.179 2.666 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c(Cl)c1 ZINC000326345761 511857713 /nfs/dbraw/zinc/85/77/13/511857713.db2.gz MQINWBUJGLLCGE-UHFFFAOYSA-N -1 1 372.736 2.989 20 30 FFEDMM Cn1cc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c(C(F)(F)F)n1 ZINC000293309488 511918082 /nfs/dbraw/zinc/91/80/82/511918082.db2.gz BVFYAJYZABQBJD-GFCCVEGCSA-N -1 1 372.372 2.762 20 30 FFEDMM CC(F)(F)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000297007575 511985276 /nfs/dbraw/zinc/98/52/76/511985276.db2.gz JUUHQPFFBPFVLN-UHFFFAOYSA-N -1 1 371.178 2.783 20 30 FFEDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C2CC2)no1 ZINC000293333121 511926635 /nfs/dbraw/zinc/92/66/35/511926635.db2.gz JMYKKCZPPOKJOO-CQSZACIVSA-N -1 1 364.402 2.633 20 30 FFEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCc3nncn3C2)c1 ZINC000328933951 511951683 /nfs/dbraw/zinc/95/16/83/511951683.db2.gz CBNUWIJFCFXWQV-VIFPVBQESA-N -1 1 351.204 2.905 20 30 FFEDMM N#Cc1cccc(OC2CCN(C(=O)c3cc(F)cc4nn[nH]c43)CC2)c1 ZINC000282127155 512083205 /nfs/dbraw/zinc/08/32/05/512083205.db2.gz JVPJIWKYMJVZTF-UHFFFAOYSA-N -1 1 365.368 2.652 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)o1 ZINC000434028084 513218802 /nfs/dbraw/zinc/21/88/02/513218802.db2.gz PMQUQQKFPBFFLE-ZDUSSCGKSA-N -1 1 367.471 2.511 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425124514 513421680 /nfs/dbraw/zinc/42/16/80/513421680.db2.gz FJZLVJDYRYHSTR-ZDUSSCGKSA-N -1 1 363.421 2.686 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1nc(C(C)(C)C)no1 ZINC000451289540 513655888 /nfs/dbraw/zinc/65/58/88/513655888.db2.gz XPCCKZGHSBTXQD-JTQLQIEISA-N -1 1 366.418 2.558 20 30 FFEDMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435752553 513676738 /nfs/dbraw/zinc/67/67/38/513676738.db2.gz LAQNWRMDCLPPSA-UHFFFAOYSA-N -1 1 367.434 2.946 20 30 FFEDMM COc1cccc(NC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000442972955 513832862 /nfs/dbraw/zinc/83/28/62/513832862.db2.gz ZQDLVLWRWRWPQR-UHFFFAOYSA-N -1 1 351.406 2.989 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1c(F)cccc1F ZINC000443017759 513844662 /nfs/dbraw/zinc/84/46/62/513844662.db2.gz AESAJZXNHSPWRD-SECBINFHSA-N -1 1 367.333 2.784 20 30 FFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427113116 514119547 /nfs/dbraw/zinc/11/95/47/514119547.db2.gz GYJIWROZXFTGDN-UHFFFAOYSA-N -1 1 350.371 2.523 20 30 FFEDMM COCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc(C(=O)OC)c1 ZINC000427327192 514183515 /nfs/dbraw/zinc/18/35/15/514183515.db2.gz CFPVOLUIRGMXCQ-UHFFFAOYSA-N -1 1 374.418 2.601 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1NC(C)=O ZINC000475794770 514812297 /nfs/dbraw/zinc/81/22/97/514812297.db2.gz IJFCHHSBDVBJKJ-UHFFFAOYSA-N -1 1 359.407 2.520 20 30 FFEDMM CCCC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)C(=O)OC(C)(C)C ZINC000462685389 515187575 /nfs/dbraw/zinc/18/75/75/515187575.db2.gz IMWZNYZXVOWLIN-AWEZNQCLSA-N -1 1 358.504 2.890 20 30 FFEDMM C=CCOc1cccc(NS(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000481617991 515405761 /nfs/dbraw/zinc/40/57/61/515405761.db2.gz YXTGMMJGGZIPSF-UHFFFAOYSA-N -1 1 362.407 2.716 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000468588893 515427412 /nfs/dbraw/zinc/42/74/12/515427412.db2.gz SKYUXDZDVAETKT-CQSZACIVSA-N -1 1 373.434 2.528 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OCCOC)cc2)n1 ZINC000477841064 515611049 /nfs/dbraw/zinc/61/10/49/515611049.db2.gz FZMJGDXQKQTUHD-CQSZACIVSA-N -1 1 374.418 2.835 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000463797188 515619967 /nfs/dbraw/zinc/61/99/67/515619967.db2.gz HEAODNGOYCWCTO-UHFFFAOYSA-N -1 1 354.391 2.758 20 30 FFEDMM COC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)sc1C ZINC000473552958 515660575 /nfs/dbraw/zinc/66/05/75/515660575.db2.gz RUEBEHCWLWWSME-ZDUSSCGKSA-N -1 1 371.418 2.793 20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccc(C)c(C)c1 ZINC000469255428 515742933 /nfs/dbraw/zinc/74/29/33/515742933.db2.gz YZIXYDQHYNVURZ-SFHVURJKSA-N -1 1 372.446 2.676 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc2n[nH]cc2c1 ZINC000511015006 515745601 /nfs/dbraw/zinc/74/56/01/515745601.db2.gz KWYBBPKIEMBPKA-SECBINFHSA-N -1 1 362.361 2.752 20 30 FFEDMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000557872388 516480854 /nfs/dbraw/zinc/48/08/54/516480854.db2.gz NXBDCIGYDTXUDG-ABKXIKBNSA-N -1 1 350.346 2.637 20 30 FFEDMM CC#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000554688662 516588628 /nfs/dbraw/zinc/58/86/28/516588628.db2.gz UUKHZQUVEFOXSD-UHFFFAOYSA-N -1 1 356.447 2.891 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(OC(F)(F)F)cc2)o1 ZINC000553447186 517719325 /nfs/dbraw/zinc/71/93/25/517719325.db2.gz HJPHNTLTJJKELT-UHFFFAOYSA-N -1 1 360.313 2.571 20 30 FFEDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000553908779 517964100 /nfs/dbraw/zinc/96/41/00/517964100.db2.gz CGLZKODFVCHHIM-XXFAHNHDSA-N -1 1 350.346 2.637 20 30 FFEDMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000553908776 517964518 /nfs/dbraw/zinc/96/45/18/517964518.db2.gz CGLZKODFVCHHIM-ABKXIKBNSA-N -1 1 350.346 2.637 20 30 FFEDMM N#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000543313624 518018852 /nfs/dbraw/zinc/01/88/52/518018852.db2.gz IGLZWTAHMOUPKC-UHFFFAOYSA-N -1 1 361.398 2.660 20 30 FFEDMM N#Cc1cccc(CC[N-]S(=O)(=O)c2sccc2Br)c1 ZINC000564012667 518268628 /nfs/dbraw/zinc/26/86/28/518268628.db2.gz RRBXLTLKRRJTAC-UHFFFAOYSA-N -1 1 371.281 2.903 20 30 FFEDMM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(C#N)o3)C2)cc1F ZINC000576370877 518561650 /nfs/dbraw/zinc/56/16/50/518561650.db2.gz VWNICNFSILFTJP-HAQNSBGRSA-N -1 1 350.371 2.523 20 30 FFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(C#N)ccc1Cl ZINC000586804327 518647854 /nfs/dbraw/zinc/64/78/54/518647854.db2.gz TXNYBYJUUSCYJB-UHFFFAOYSA-N -1 1 367.789 2.975 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000589179164 518942375 /nfs/dbraw/zinc/94/23/75/518942375.db2.gz KJDATDWHYIRULU-UHFFFAOYSA-N -1 1 355.438 2.565 20 30 FFEDMM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc([O-])cc(C#N)c3)ccc2NC1=O ZINC000589188703 518945820 /nfs/dbraw/zinc/94/58/20/518945820.db2.gz HKLGCWAEWFPPAH-GTNSWQLSSA-N -1 1 365.389 2.864 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1[O-] ZINC000582996650 519024795 /nfs/dbraw/zinc/02/47/95/519024795.db2.gz RQGGXTVEUKZPRV-GOEBONIOSA-N -1 1 368.393 2.866 20 30 FFEDMM N#Cc1cc(F)c(N2CCC(c3n[n-]c(=O)o3)CC2)cc1Br ZINC000594582821 520039471 /nfs/dbraw/zinc/03/94/71/520039471.db2.gz DEYPHLGBGCQIQL-UHFFFAOYSA-N -1 1 367.178 2.932 20 30 FFEDMM COCCOCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000600663469 520382541 /nfs/dbraw/zinc/38/25/41/520382541.db2.gz HMMCNIOZAUSYGA-UHFFFAOYSA-N -1 1 360.435 2.831 20 30 FFEDMM Cc1ccc(C(=O)N2CCC(NC(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000614366845 520928150 /nfs/dbraw/zinc/92/81/50/520928150.db2.gz XCPKFXRCYVJQMI-UHFFFAOYSA-N -1 1 363.417 2.607 20 30 FFEDMM CCC(F)(F)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000599434182 521222455 /nfs/dbraw/zinc/22/24/55/521222455.db2.gz SZLIIHXZOWSYMO-UHFFFAOYSA-N -1 1 353.188 2.644 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3F)C2)o1 ZINC000599489707 521255595 /nfs/dbraw/zinc/25/55/95/521255595.db2.gz FXOQTHAMDPDXCP-LLVKDONJSA-N -1 1 369.805 2.501 20 30 FFEDMM C[C@H](CC#N)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000597117334 521518324 /nfs/dbraw/zinc/51/83/24/521518324.db2.gz OCKXNHDCAXCMPO-OAHLLOKOSA-N -1 1 371.462 2.996 20 30 FFEDMM Cc1cccc(CC2(O)CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000619451104 521576105 /nfs/dbraw/zinc/57/61/05/521576105.db2.gz FBUGIXVYKCSIHU-UHFFFAOYSA-N -1 1 350.418 2.782 20 30 FFEDMM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619463396 521580516 /nfs/dbraw/zinc/58/05/16/521580516.db2.gz UIIIWFZXPXKZQW-UHFFFAOYSA-N -1 1 374.418 2.579 20 30 FFEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2)n[nH]1 ZINC000619462359 521581541 /nfs/dbraw/zinc/58/15/41/521581541.db2.gz JVXBXHICCFNTKU-UHFFFAOYSA-N -1 1 353.407 2.647 20 30 FFEDMM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619463841 521582441 /nfs/dbraw/zinc/58/24/41/521582441.db2.gz NCTUHOBWMQYMHQ-AWEZNQCLSA-N -1 1 372.446 2.905 20 30 FFEDMM CCO[C@@H]1CC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C12CCC2 ZINC000736616306 599033046 /nfs/dbraw/zinc/03/30/46/599033046.db2.gz NMJJBGWXWXRLKA-GFCCVEGCSA-N -1 1 359.434 2.800 20 30 FFEDMM C[C@@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735504653 598411493 /nfs/dbraw/zinc/41/14/93/598411493.db2.gz NMNAJCVJLKPVFC-JTQLQIEISA-N -1 1 353.313 2.867 20 30 FFEDMM C[C@@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735504653 598411494 /nfs/dbraw/zinc/41/14/94/598411494.db2.gz NMNAJCVJLKPVFC-JTQLQIEISA-N -1 1 353.313 2.867 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccccc2OC(F)(F)F)o1 ZINC000735451282 598492113 /nfs/dbraw/zinc/49/21/13/598492113.db2.gz WVWMQGSFBLICNL-UHFFFAOYSA-N -1 1 367.291 2.898 20 30 FFEDMM CC(C)c1ccc([C@@H](C)CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC000735923060 599602321 /nfs/dbraw/zinc/60/23/21/599602321.db2.gz JQAVRVMENYDTII-NSHDSACASA-N -1 1 364.413 2.717 20 30 FFEDMM O=C([O-])c1ccc(O)c(C=N[N-]c2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000740161919 599907515 /nfs/dbraw/zinc/90/75/15/599907515.db2.gz VBBIPNSTKKEGEA-UHFFFAOYSA-N -1 1 374.360 2.665 20 30 FFEDMM O=C([O-])c1ccc(O)c(C=NNc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000740161919 599907516 /nfs/dbraw/zinc/90/75/16/599907516.db2.gz VBBIPNSTKKEGEA-UHFFFAOYSA-N -1 1 374.360 2.665 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000739141844 599927623 /nfs/dbraw/zinc/92/76/23/599927623.db2.gz AGMPBAWOFKLMJJ-UHFFFAOYSA-N -1 1 362.432 2.677 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000738364119 599948744 /nfs/dbraw/zinc/94/87/44/599948744.db2.gz OFMJOTCRHIZOPL-MRXNPFEDSA-N -1 1 357.454 2.735 20 30 FFEDMM C[C@@H](CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1)C(=O)[O-] ZINC000736578875 599949551 /nfs/dbraw/zinc/94/95/51/599949551.db2.gz PJFJQTFZIJPVSP-ZDUSSCGKSA-N -1 1 363.845 2.772 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000738608232 600306290 /nfs/dbraw/zinc/30/62/90/600306290.db2.gz HMASNTBDQKNQGS-SJLPKXTDSA-N -1 1 369.465 2.817 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c1C#N ZINC000738252568 600363177 /nfs/dbraw/zinc/36/31/77/600363177.db2.gz FVKQFFJJMQAXSA-LBPRGKRZSA-N -1 1 360.458 2.683 20 30 FFEDMM COc1cccc(N2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832563073 601309480 /nfs/dbraw/zinc/30/94/80/601309480.db2.gz VBONMLZHGDNBHP-LJQANCHMSA-N -1 1 351.406 2.515 20 30 FFEDMM Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC#N)cc1C(=O)[O-] ZINC000760361050 602119059 /nfs/dbraw/zinc/11/90/59/602119059.db2.gz JGRWVDZWLNJFQG-UHFFFAOYSA-N -1 1 364.354 2.536 20 30 FFEDMM C#CCOc1ccccc1CN[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000825632216 602172344 /nfs/dbraw/zinc/17/23/44/602172344.db2.gz VJDCDNWMLBCTEF-LJQANCHMSA-N -1 1 355.390 2.631 20 30 FFEDMM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000825893660 603560525 /nfs/dbraw/zinc/56/05/25/603560525.db2.gz AKTWIVUUYHXIDY-ORAYPTAESA-N -1 1 369.425 2.914 20 30 FFEDMM Cc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1NC(=O)[O-] ZINC000830177314 604226839 /nfs/dbraw/zinc/22/68/39/604226839.db2.gz YRLWITDAHOXQOQ-ZDUSSCGKSA-N -1 1 353.382 2.893 20 30 FFEDMM Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1NC(=O)[O-] ZINC000830177314 604226844 /nfs/dbraw/zinc/22/68/44/604226844.db2.gz YRLWITDAHOXQOQ-ZDUSSCGKSA-N -1 1 353.382 2.893 20 30 FFEDMM C#CCOc1cccc(Oc2nnc(CC)c(CC)c2-c2nnn[n-]2)c1 ZINC000819709477 606933585 /nfs/dbraw/zinc/93/35/85/606933585.db2.gz GMEVOWQQVMSQFC-UHFFFAOYSA-N -1 1 350.382 2.586 20 30 FFEDMM C#CCOc1cccc(Oc2nnc(CC)c(CC)c2-c2nn[n-]n2)c1 ZINC000819709477 606933586 /nfs/dbraw/zinc/93/35/86/606933586.db2.gz GMEVOWQQVMSQFC-UHFFFAOYSA-N -1 1 350.382 2.586 20 30 FFEDMM COCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826163082 608091853 /nfs/dbraw/zinc/09/18/53/608091853.db2.gz FSGZQHKQFVLZCW-AATRIKPKSA-N -1 1 356.407 2.850 20 30 FFEDMM COCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826163082 608091854 /nfs/dbraw/zinc/09/18/54/608091854.db2.gz FSGZQHKQFVLZCW-AATRIKPKSA-N -1 1 356.407 2.850 20 30 FFEDMM O=C(C=Cc1ccc(-n2cncn2)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400189 608092764 /nfs/dbraw/zinc/09/27/64/608092764.db2.gz ROSLRCOUIJKHPR-DUXPYHPUSA-N -1 1 367.369 2.544 20 30 FFEDMM O=C(C=Cc1ccc(-n2cncn2)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400189 608092765 /nfs/dbraw/zinc/09/27/65/608092765.db2.gz ROSLRCOUIJKHPR-DUXPYHPUSA-N -1 1 367.369 2.544 20 30 FFEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1-n1cncn1 ZINC000826266589 608093591 /nfs/dbraw/zinc/09/35/91/608093591.db2.gz UNKBNVMHGYHZMM-HWKANZROSA-N -1 1 363.406 2.713 20 30 FFEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1-n1cncn1 ZINC000826266589 608093592 /nfs/dbraw/zinc/09/35/92/608093592.db2.gz UNKBNVMHGYHZMM-HWKANZROSA-N -1 1 363.406 2.713 20 30 FFEDMM C=CCCC[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000823894107 608332576 /nfs/dbraw/zinc/33/25/76/608332576.db2.gz HOQGOVLZXHBMEW-NSHDSACASA-N -1 1 359.430 2.805 20 30 FFEDMM N#Cc1ccc(NC(=O)Cc2sc(N3CCCCCC3)nc2[O-])cc1 ZINC000122940428 728653472 /nfs/dbraw/zinc/65/34/72/728653472.db2.gz VCICNOFXAQDMPK-OAHLLOKOSA-N -1 1 356.451 2.761 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCC(F)(F)F)c2)c(=O)o1 ZINC000128009778 728707805 /nfs/dbraw/zinc/70/78/05/728707805.db2.gz FFWDVHVZBADWFZ-NFAHFFEMSA-N -1 1 354.280 2.856 20 30 FFEDMM C=CCn1c(=O)c2ccccc2nc1SCCC[N-]C(=O)C(F)(F)F ZINC000151731836 728746621 /nfs/dbraw/zinc/74/66/21/728746621.db2.gz ABGUYJRWKWQYOS-UHFFFAOYSA-N -1 1 371.384 2.743 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c1Br ZINC000901773840 735836996 /nfs/dbraw/zinc/83/69/96/735836996.db2.gz YFCIFDJFEAQIKE-SECBINFHSA-N -1 1 371.178 2.880 20 30 FFEDMM N#CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)C(F)(F)F ZINC000901774577 735837126 /nfs/dbraw/zinc/83/71/26/735837126.db2.gz HINQVUPCVMLBPL-VIFPVBQESA-N -1 1 357.151 2.572 20 30 FFEDMM CSc1nc(C)c(CCC(=O)O[C@H](C)c2ccc(C#N)cc2)c(=O)[n-]1 ZINC000175762892 729101200 /nfs/dbraw/zinc/10/12/00/729101200.db2.gz KYNMDMONZWOUDJ-GFCCVEGCSA-N -1 1 357.435 2.909 20 30 FFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)/C=C/c1ccccc1C#N ZINC000181089298 729233833 /nfs/dbraw/zinc/23/38/33/729233833.db2.gz GGMGGEIXQVHUHC-RMKNXTFCSA-N -1 1 359.382 2.721 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000185338950 729346972 /nfs/dbraw/zinc/34/69/72/729346972.db2.gz BVJJODMNVZIKHQ-HNNXBMFYSA-N -1 1 356.447 2.856 20 30 FFEDMM C#CCCCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000779880154 738492894 /nfs/dbraw/zinc/49/28/94/738492894.db2.gz URGRWZPGPOWHHV-UHFFFAOYSA-N -1 1 366.483 2.945 20 30 FFEDMM COC[C@H](C)NN=C(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863105561 730750445 /nfs/dbraw/zinc/75/04/45/730750445.db2.gz UUBAVXZHGCXFSU-AWEZNQCLSA-N -1 1 361.467 2.836 20 30 FFEDMM C=CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccncc1 ZINC000881905063 733133331 /nfs/dbraw/zinc/13/33/31/733133331.db2.gz QLRKCWMNPRCNLK-HJPURHCSSA-N -1 1 371.528 2.964 20 30 FFEDMM CO[C@H](C(C)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000782241904 738701188 /nfs/dbraw/zinc/70/11/88/738701188.db2.gz CPPUZOPIUHCARY-MRXNPFEDSA-N -1 1 363.395 2.637 20 30 FFEDMM C=CCCC(C)(C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000717640543 734374890 /nfs/dbraw/zinc/37/48/90/734374890.db2.gz AGYXPGYHPYDXLI-UHFFFAOYSA-N -1 1 350.282 2.514 20 30 FFEDMM O=c1nc(NN=Cc2c(Cl)ccc(Cl)c2Cl)nc2[nH][n-]cc1-2 ZINC000731154710 734668560 /nfs/dbraw/zinc/66/85/60/734668560.db2.gz ZAOVPFYXCFRCPP-UHFFFAOYSA-N -1 1 357.588 2.838 20 30 FFEDMM C#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000733287343 734804197 /nfs/dbraw/zinc/80/41/97/734804197.db2.gz CWIZKOUJELEDCJ-UHFFFAOYSA-N -1 1 356.447 2.857 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCOC2=O)cc1 ZINC000734119638 734875253 /nfs/dbraw/zinc/87/52/53/734875253.db2.gz CREIGJJZNAAFCK-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-n2cc[nH]c2=O)c1 ZINC000734119928 734875784 /nfs/dbraw/zinc/87/57/84/734875784.db2.gz JYSVQHMVRRZWRX-UHFFFAOYSA-N -1 1 354.391 2.559 20 30 FFEDMM COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000735269514 734937575 /nfs/dbraw/zinc/93/75/75/734937575.db2.gz QFSRMLSPLKMREH-UHFFFAOYSA-N -1 1 359.407 2.557 20 30 FFEDMM Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895166987 734970599 /nfs/dbraw/zinc/97/05/99/734970599.db2.gz WJIXNJHYULCOJB-KRWDZBQOSA-N -1 1 362.861 2.671 20 30 FFEDMM Cc1cccc2[nH]cc(C=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c21 ZINC000748255613 735631153 /nfs/dbraw/zinc/63/11/53/735631153.db2.gz ZQWZIKHSDZQYDX-UHFFFAOYSA-N -1 1 358.379 2.697 20 30 FFEDMM C=CCn1cc2ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc2n1 ZINC000901967994 735881819 /nfs/dbraw/zinc/88/18/19/735881819.db2.gz XDBBUJYVDHOETE-UHFFFAOYSA-N -1 1 363.361 2.543 20 30 FFEDMM O=S1(=O)[N-]C(=NN=CCCCCOc2ccccc2)c2ccccc21 ZINC000753955287 736110145 /nfs/dbraw/zinc/11/01/45/736110145.db2.gz LMKLWENDRVMBNT-UHFFFAOYSA-N -1 1 357.435 2.960 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC(F)(F)CC2)cn1 ZINC000903679964 736147934 /nfs/dbraw/zinc/14/79/34/736147934.db2.gz QLBWSKCEZMOVOL-UHFFFAOYSA-N -1 1 369.315 2.742 20 30 FFEDMM C#C[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000754389871 736154918 /nfs/dbraw/zinc/15/49/18/736154918.db2.gz MRKWHBXQHAVRKG-HNNXBMFYSA-N -1 1 360.410 2.768 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)cc2[O-])[C@H](C#N)C1 ZINC000755025009 736227304 /nfs/dbraw/zinc/22/73/04/736227304.db2.gz BHWKOEWLCZNKHY-GFCCVEGCSA-N -1 1 365.817 2.631 20 30 FFEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)cc2[O-])[C@@H](C#N)C1 ZINC000755025010 736227814 /nfs/dbraw/zinc/22/78/14/736227814.db2.gz BHWKOEWLCZNKHY-LBPRGKRZSA-N -1 1 365.817 2.631 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1csc(C(C)C)n1 ZINC000768776328 737456877 /nfs/dbraw/zinc/45/68/77/737456877.db2.gz LOCUSSLGXPGDKY-UHFFFAOYSA-N -1 1 368.440 2.877 20 30 FFEDMM COc1ccc(Br)c(S(=O)(=O)[N-]CCCCC#N)c1F ZINC000914063080 737497353 /nfs/dbraw/zinc/49/73/53/737497353.db2.gz RDWXDRPECYFQJZ-UHFFFAOYSA-N -1 1 365.224 2.569 20 30 FFEDMM C[C@@H](C#N)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000770950319 737678460 /nfs/dbraw/zinc/67/84/60/737678460.db2.gz OZGJJBHQXJZOPT-LBPRGKRZSA-N -1 1 362.382 2.943 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(F)cc1F ZINC000771152972 737700938 /nfs/dbraw/zinc/70/09/38/737700938.db2.gz UJCXDEIUDZBYDJ-UHFFFAOYSA-N -1 1 370.308 2.563 20 30 FFEDMM CCS(=O)(=O)c1c(Cl)cccc1CN=Nc1ccc(C(=O)[O-])cn1 ZINC000774396961 737986377 /nfs/dbraw/zinc/98/63/77/737986377.db2.gz SZMWJLIONNCELB-UHFFFAOYSA-N -1 1 367.814 2.673 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ncc(Br)cc2F)ccc1C#N ZINC000775060056 738057846 /nfs/dbraw/zinc/05/78/46/738057846.db2.gz GEGTXFHWPXVYLV-UHFFFAOYSA-N -1 1 370.203 2.964 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000775374634 738088622 /nfs/dbraw/zinc/08/86/22/738088622.db2.gz GDTVHBJTNYEGJQ-CYBMUJFWSA-N -1 1 360.410 2.686 20 30 FFEDMM N#Cc1ccc(-n2ccc(NC([O-])=NO[C@@H]3CCCCO3)n2)c(Cl)c1 ZINC000775721811 738117449 /nfs/dbraw/zinc/11/74/49/738117449.db2.gz JJBDTNTUUNPPSS-OAHLLOKOSA-N -1 1 361.789 2.977 20 30 FFEDMM N#Cc1ccc(-n2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)n2)c(Cl)c1 ZINC000775721811 738117450 /nfs/dbraw/zinc/11/74/50/738117450.db2.gz JJBDTNTUUNPPSS-OAHLLOKOSA-N -1 1 361.789 2.977 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(F)cc(Cl)c1 ZINC000776725969 738225942 /nfs/dbraw/zinc/22/59/42/738225942.db2.gz INVRZAQLBJXGDG-UHFFFAOYSA-N -1 1 357.750 2.700 20 30 FFEDMM Cc1cc(C#N)ccc1COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000777044218 738255435 /nfs/dbraw/zinc/25/54/35/738255435.db2.gz QKVXMBHYVLKHQM-UHFFFAOYSA-N -1 1 350.421 2.657 20 30 FFEDMM CCOC(=O)c1cnc(N=NC(C)c2cc(F)cc(F)c2[O-])nc1C ZINC000777891314 738329146 /nfs/dbraw/zinc/32/91/46/738329146.db2.gz PKAVFJDHSVAMFS-UHFFFAOYSA-N -1 1 350.325 2.782 20 30 FFEDMM C=C[C@](C)(CCOC)COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000784623617 738908862 /nfs/dbraw/zinc/90/88/62/738908862.db2.gz ARGSMLJEZWWJQC-QGZVFWFLSA-N -1 1 373.471 2.742 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(OC(C)C)c(Cl)c1 ZINC000789017225 739308647 /nfs/dbraw/zinc/30/86/47/739308647.db2.gz CQLIDVUEBMRZER-UHFFFAOYSA-N -1 1 360.805 2.709 20 30 FFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(C#N)c(F)c1 ZINC000791351437 739552047 /nfs/dbraw/zinc/55/20/47/739552047.db2.gz ILMMLOCXEYQHGS-UHFFFAOYSA-N -1 1 362.382 2.816 20 30 FFEDMM C[C@@H]1COC(=O)C1=NN=c1cc(C(F)(F)F)[n-]c(-c2ccccn2)n1 ZINC000794913462 739941630 /nfs/dbraw/zinc/94/16/30/739941630.db2.gz UUDVHKQGJMFJFT-MRVPVSSYSA-N -1 1 351.288 2.518 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCC[C@H]2CCCF)cc1 ZINC000800811523 740550329 /nfs/dbraw/zinc/55/03/29/740550329.db2.gz XYGYPGFOVHOIEE-ZDUSSCGKSA-N -1 1 357.407 2.920 20 30 FFEDMM N#Cc1cc(COC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])ccn1 ZINC000801360757 740613574 /nfs/dbraw/zinc/61/35/74/740613574.db2.gz NPLAFYBBPMZJTJ-UHFFFAOYSA-N -1 1 354.753 2.855 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(N3CCCCC3)cc2)o1 ZINC000804951525 740919794 /nfs/dbraw/zinc/91/97/94/740919794.db2.gz UGWIDHWJYMFIJK-UHFFFAOYSA-N -1 1 359.451 2.663 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812527605 741629785 /nfs/dbraw/zinc/62/97/85/741629785.db2.gz WXSIUCJZRYWDEI-ZDUSSCGKSA-N -1 1 352.318 2.526 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812527604 741629854 /nfs/dbraw/zinc/62/98/54/741629854.db2.gz WXSIUCJZRYWDEI-CYBMUJFWSA-N -1 1 352.318 2.526 20 30 FFEDMM [O-]c1cccc(C=NNC(=S)NCc2ccc3c(c2)OCO3)c1Cl ZINC000814735189 741860738 /nfs/dbraw/zinc/86/07/38/741860738.db2.gz UKAAFCXLKSVQLS-UHFFFAOYSA-N -1 1 363.826 2.773 20 30 FFEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000814864992 741870920 /nfs/dbraw/zinc/87/09/20/741870920.db2.gz MILDKDQLEVSFCS-UHFFFAOYSA-N -1 1 369.349 2.966 20 30 FFEDMM CC(C)(CCCNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F ZINC000817084437 742086455 /nfs/dbraw/zinc/08/64/55/742086455.db2.gz DKIQQCSEEMIQIO-UHFFFAOYSA-N -1 1 372.256 2.578 20 30 FFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 ZINC000821140310 742594296 /nfs/dbraw/zinc/59/42/96/742594296.db2.gz SPQFGSQKOBWFSD-UHFFFAOYSA-N -1 1 369.851 2.526 20 30 FFEDMM C#CC[C@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000844005791 747948680 /nfs/dbraw/zinc/94/86/80/747948680.db2.gz RHMUJLZWMRISJB-NSHDSACASA-N -1 1 369.202 2.872 20 30 FFEDMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000844659059 748067962 /nfs/dbraw/zinc/06/79/62/748067962.db2.gz LTPUXCOBHZFIFP-INIZCTEOSA-N -1 1 368.455 2.819 20 30 FFEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000844825304 748108805 /nfs/dbraw/zinc/10/88/05/748108805.db2.gz JUKKFASJJCFKAQ-VIFPVBQESA-N -1 1 366.668 2.714 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CCCC2)c(F)cc1Cl ZINC000845965204 748363656 /nfs/dbraw/zinc/36/36/56/748363656.db2.gz BFWHLCOVAQTCCL-UHFFFAOYSA-N -1 1 374.821 2.628 20 30 FFEDMM O=C([N-][C@H]1CCCN(O)C1=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000848130335 748850562 /nfs/dbraw/zinc/85/05/62/748850562.db2.gz JLBHDKMXQLYFTO-VIFPVBQESA-N -1 1 353.152 2.582 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000092131158 845608185 /nfs/dbraw/zinc/60/81/85/845608185.db2.gz QYQWOIXOAHJUHH-UHFFFAOYSA-N -1 1 352.213 2.711 20 30 FFEDMM COc1c(Br)cccc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000588508656 845970326 /nfs/dbraw/zinc/97/03/26/845970326.db2.gz ILYWSQSGVSUWIR-LMVHVUTASA-N -1 1 365.179 2.686 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(-c3ccccc3)n[nH]2)o1 ZINC000820198157 945372890 /nfs/dbraw/zinc/37/28/90/945372890.db2.gz QZQXFUKQDPXUQY-UHFFFAOYSA-N -1 1 363.385 2.814 20 30 FFEDMM C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573299702 947098258 /nfs/dbraw/zinc/09/82/58/947098258.db2.gz GSNHAXYHJYNOFF-NXEZZACHSA-N -1 1 363.491 2.539 20 30 FFEDMM COc1cccc(CC(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)n1 ZINC000826215137 947629091 /nfs/dbraw/zinc/62/90/91/947629091.db2.gz HVPSUTDQLULASC-UHFFFAOYSA-N -1 1 370.417 2.586 20 30 FFEDMM N#Cc1ccc(-n2ccc(NCc3ccc(-c4nnn[n-]4)o3)n2)c(Cl)c1 ZINC000826384296 948186529 /nfs/dbraw/zinc/18/65/29/948186529.db2.gz PIGVHPANVOUOBA-UHFFFAOYSA-N -1 1 366.772 2.783 20 30 FFEDMM N#Cc1ccc(-n2ccc(NCc3ccc(-c4nn[n-]n4)o3)n2)c(Cl)c1 ZINC000826384296 948186536 /nfs/dbraw/zinc/18/65/36/948186536.db2.gz PIGVHPANVOUOBA-UHFFFAOYSA-N -1 1 366.772 2.783 20 30 FFEDMM C#CCN1CC2(CCC1=O)CCN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC001271439423 973214984 /nfs/dbraw/zinc/21/49/84/973214984.db2.gz LQLHGFICQABNMM-UHFFFAOYSA-N -1 1 360.841 2.524 20 30 FFEDMM CC[C@@H](C#N)Oc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccc1OC ZINC000825826862 1014093122 /nfs/dbraw/zinc/09/31/22/1014093122.db2.gz JYYRVNKXXGPRFN-LBPRGKRZSA-N -1 1 374.368 2.856 20 30 FFEDMM C=C1CCC(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2CC)CC1 ZINC000985412401 974005592 /nfs/dbraw/zinc/00/55/92/974005592.db2.gz OIQYIPMZZFCIKW-JKSUJKDBSA-N -1 1 357.454 2.643 20 30 FFEDMM CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1OC ZINC000006338565 976573062 /nfs/dbraw/zinc/57/30/62/976573062.db2.gz BSBCVTCQSPIBLR-ONNFQVAWSA-N -1 1 355.390 2.812 20 30 FFEDMM C=CCN1CC[C@@]2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2[O-])C1=O ZINC001271998036 979431851 /nfs/dbraw/zinc/43/18/51/979431851.db2.gz RCJWXOVQWDXREV-KRWDZBQOSA-N -1 1 368.355 2.804 20 30 FFEDMM C[C@@](Cc1ccc(F)cc1)(NCc1c(C#N)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001592854148 979649699 /nfs/dbraw/zinc/64/96/99/979649699.db2.gz MUXPSTIEFDDQIF-SFHVURJKSA-N -1 1 357.341 2.781 20 30 FFEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2coc(C(N)=O)c2)cc1 ZINC000760182769 980184826 /nfs/dbraw/zinc/18/48/26/980184826.db2.gz HPLGJWRYPBCPIB-NHYWBVRUSA-N -1 1 353.378 2.853 20 30 FFEDMM Cn1c(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)n[n-]c1=S ZINC000085588162 982840550 /nfs/dbraw/zinc/84/05/50/982840550.db2.gz MAKXXZZVOAXPMW-UHFFFAOYSA-N -1 1 364.434 2.594 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878154053 1014885388 /nfs/dbraw/zinc/88/53/88/1014885388.db2.gz TZLQPEUYWDYROP-QAPCUYQASA-N -1 1 350.422 2.527 20 30 FFEDMM C=CCN1C(=O)C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000916246449 989768109 /nfs/dbraw/zinc/76/81/09/989768109.db2.gz YOBBGXIJMKAOAR-UHFFFAOYSA-N -1 1 367.321 2.852 20 30 FFEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n(C)n1 ZINC000917516008 990236249 /nfs/dbraw/zinc/23/62/49/990236249.db2.gz GYTSEBUTKNZBQZ-NSHDSACASA-N -1 1 367.434 2.808 20 30 FFEDMM COc1ccc(OCc2ccccn2)c(C=NNc2nc(C)cc(=O)[n-]2)c1 ZINC000921254910 991020052 /nfs/dbraw/zinc/02/00/52/991020052.db2.gz UJAYYKGFRUMGIS-UHFFFAOYSA-N -1 1 365.393 2.919 20 30 FFEDMM COc1cccc2c1n[nH]c2C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000808675900 994219632 /nfs/dbraw/zinc/21/96/32/994219632.db2.gz XCLNQGQTCIEVQF-LLVKDONJSA-N -1 1 364.361 2.627 20 30 FFEDMM C[C@@](O)(C1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1)C(F)(F)F ZINC001593382344 995097110 /nfs/dbraw/zinc/09/71/10/995097110.db2.gz XKGLYLABAFQUJR-GDBMZVCRSA-N -1 1 356.344 2.709 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(OCCC(C)C)cc1 ZINC000731154743 997717082 /nfs/dbraw/zinc/71/70/82/997717082.db2.gz AVQVVDIQCAIOQO-UHFFFAOYSA-N -1 1 354.414 2.693 20 30 FFEDMM COc1cccc([C@@H](C#N)NC(=O)Cc2ccc([O-])c(Cl)c2)c1OC ZINC001144585154 998666719 /nfs/dbraw/zinc/66/67/19/998666719.db2.gz JSDJOXHTQMTBFE-CQSZACIVSA-N -1 1 360.797 2.986 20 30 FFEDMM COC(=O)c1ccccc1-c1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)o1 ZINC001599002688 998832309 /nfs/dbraw/zinc/83/23/09/998832309.db2.gz JZGWVLKPPPEAEW-UHFFFAOYSA-N -1 1 368.389 2.924 20 30 FFEDMM N#Cc1ccc(-c2nnc(COC(=O)c3c([O-])cc(F)cc3F)o2)cc1 ZINC000744879833 999882035 /nfs/dbraw/zinc/88/20/35/999882035.db2.gz IDDZBMBNMLOPNF-UHFFFAOYSA-N -1 1 357.272 2.949 20 30 FFEDMM N=C(c1nonc1N)N([O-])C(=O)c1sc2cc(F)ccc2c1Cl ZINC001147980006 1001011258 /nfs/dbraw/zinc/01/12/58/1001011258.db2.gz LPRIVVQNSWWHPO-UHFFFAOYSA-N -1 1 355.738 2.516 20 30 FFEDMM CC[C@](C)(O)CC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001184257020 1002541334 /nfs/dbraw/zinc/54/13/34/1002541334.db2.gz PFPREDPHGZLNEA-DKFVHQPUSA-N -1 1 360.439 2.711 20 30 FFEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1N1CCNC1=O ZINC000792111588 1002909666 /nfs/dbraw/zinc/90/96/66/1002909666.db2.gz VPNIXEPQUZHYCN-OAHLLOKOSA-N -1 1 371.400 2.958 20 30 FFEDMM C=CCc1c(F)c(F)c(C(=O)[N-]C(=N)c2nccc(OC)n2)c(F)c1F ZINC001186737222 1003401644 /nfs/dbraw/zinc/40/16/44/1003401644.db2.gz IGWGBXQWNASQHY-UHFFFAOYSA-N -1 1 368.290 2.525 20 30 FFEDMM C=CCc1c(F)c(F)c(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)c(F)c1F ZINC001186737252 1003402145 /nfs/dbraw/zinc/40/21/45/1003402145.db2.gz JAGLXXQNTDHYPC-UHFFFAOYSA-N -1 1 367.262 2.596 20 30 FFEDMM COCC#CC(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1C ZINC001187131262 1003577519 /nfs/dbraw/zinc/57/75/19/1003577519.db2.gz DWUASMQFFRADMA-UHFFFAOYSA-N -1 1 369.261 2.896 20 30 FFEDMM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC001197031898 1004054469 /nfs/dbraw/zinc/05/44/69/1004054469.db2.gz VARDVNWJRQFUQF-UHFFFAOYSA-N -1 1 366.345 2.732 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)c1 ZINC001197069066 1004069662 /nfs/dbraw/zinc/06/96/62/1004069662.db2.gz UDUJJRRPUXKZRW-VQHVLOKHSA-N -1 1 356.403 2.854 20 30 FFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(C#N)cc(OC)c2)c1 ZINC001197114662 1004089415 /nfs/dbraw/zinc/08/94/15/1004089415.db2.gz FIYHBDXLSAMXBA-VOTSOKGWSA-N -1 1 372.402 2.554 20 30 FFEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806492120 1004332624 /nfs/dbraw/zinc/33/26/24/1004332624.db2.gz AMKLZBISLUKHEL-UHFFFAOYSA-N -1 1 362.437 2.904 20 30 FFEDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)CC#N)C(=O)Nc1ccc2ccccc2c1 ZINC001193001658 1004338364 /nfs/dbraw/zinc/33/83/64/1004338364.db2.gz SBIGWJLGFLDUGZ-GUYCJALGSA-N -1 1 359.451 2.636 20 30 FFEDMM Cc1cc(Cl)cc([N-]S(=O)(=O)CC#N)c1I ZINC001192980990 1004346594 /nfs/dbraw/zinc/34/65/94/1004346594.db2.gz VSMBFLZIIRCNCW-UHFFFAOYSA-N -1 1 370.599 2.518 20 30 FFEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000806559286 1004361590 /nfs/dbraw/zinc/36/15/90/1004361590.db2.gz YOQMIQALIDGUTL-FPYGCLRLSA-N -1 1 353.374 2.823 20 30 FFEDMM CC[C@@H](C#N)Oc1cc(CNC(=O)C(=O)c2ccc([O-])cc2)ccc1OC ZINC000806854933 1004439647 /nfs/dbraw/zinc/43/96/47/1004439647.db2.gz UJJSCWIYFAOPPZ-INIZCTEOSA-N -1 1 368.389 2.581 20 30 FFEDMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC001198692866 1004699456 /nfs/dbraw/zinc/69/94/56/1004699456.db2.gz HYXPZOGOMCMXAB-UHFFFAOYSA-N -1 1 359.741 2.694 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cnccc2OCC2CCOCC2)c([O-])c1 ZINC001198854148 1004753392 /nfs/dbraw/zinc/75/33/92/1004753392.db2.gz ALAUHIZRSIQAOC-UHFFFAOYSA-N -1 1 353.378 2.717 20 30 FFEDMM Cc1cc(C#N)cc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195234981 1004912625 /nfs/dbraw/zinc/91/26/25/1004912625.db2.gz VOPYARPLPWRJQZ-UHFFFAOYSA-N -1 1 366.345 2.952 20 30 FFEDMM N#Cc1coc(C[N-]S(=O)(=O)c2c(F)cccc2Br)c1 ZINC001201082035 1005171163 /nfs/dbraw/zinc/17/11/63/1005171163.db2.gz RKHHTQFIFYHQGU-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM C=CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F)C(=O)OC ZINC001201287971 1005187974 /nfs/dbraw/zinc/18/79/74/1005187974.db2.gz QQGRSRPZWJAGAD-CYBMUJFWSA-N -1 1 370.229 2.919 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCC(O)CC2)cc1C#N ZINC001201317296 1005198641 /nfs/dbraw/zinc/19/86/41/1005198641.db2.gz OSGACCPDQSEKFY-UHFFFAOYSA-N -1 1 371.462 2.629 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)cc1C#N ZINC001201323082 1005200022 /nfs/dbraw/zinc/20/00/22/1005200022.db2.gz ZNFNUMTVARKQSG-UHFFFAOYSA-N -1 1 354.431 2.790 20 30 FFEDMM COC(=O)Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)ccc1C ZINC001201324002 1005200137 /nfs/dbraw/zinc/20/01/37/1005200137.db2.gz ULZXGYBVOHHAIL-UHFFFAOYSA-N -1 1 358.419 2.691 20 30 FFEDMM C=CC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001475769631 1061261660 /nfs/dbraw/zinc/26/16/60/1061261660.db2.gz OENJIJWOYSLUJR-UHFFFAOYSA-N -1 1 367.196 2.739 20 30 FFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000776639274 1006278746 /nfs/dbraw/zinc/27/87/46/1006278746.db2.gz XPJMDVJPBXDYLO-GFCCVEGCSA-N -1 1 351.362 2.711 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)NN=Cc1ccc2ccccc2c1[O-] ZINC000814864890 1006453851 /nfs/dbraw/zinc/45/38/51/1006453851.db2.gz JCYWABTXXBXLJN-UHFFFAOYSA-N -1 1 371.374 2.766 20 30 FFEDMM C[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853988576 1006617299 /nfs/dbraw/zinc/61/72/99/1006617299.db2.gz CKAARGFQKSFBBO-ABAIWWIYSA-N -1 1 362.355 3.000 20 30 FFEDMM N#Cc1cc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)ccn1 ZINC000817293489 1007526404 /nfs/dbraw/zinc/52/64/04/1007526404.db2.gz MGSHFZNBIRGWLA-HNNXBMFYSA-N -1 1 360.339 2.563 20 30 FFEDMM C=CCOCCCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817491536 1007619483 /nfs/dbraw/zinc/61/94/83/1007619483.db2.gz YQBNNAPMTGBBIY-CQSZACIVSA-N -1 1 370.371 2.606 20 30 FFEDMM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC001135981965 1007712671 /nfs/dbraw/zinc/71/26/71/1007712671.db2.gz CNNYPMXXERCKBM-SFHVURJKSA-N -1 1 357.360 2.693 20 30 FFEDMM COc1cc(C#N)c(F)cc1NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190631746 1007729659 /nfs/dbraw/zinc/72/96/59/1007729659.db2.gz FOOIGTMSGWQFAI-UHFFFAOYSA-N -1 1 365.324 2.516 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)n1 ZINC000818194286 1007883144 /nfs/dbraw/zinc/88/31/44/1007883144.db2.gz FCRZBCRMDMKCCR-UHFFFAOYSA-N -1 1 371.832 2.842 20 30 FFEDMM C#C[C@@H](CCC)NC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000820666660 1008358822 /nfs/dbraw/zinc/35/88/22/1008358822.db2.gz LTNISECMVLQCOB-KBPBESRZSA-N -1 1 367.371 2.608 20 30 FFEDMM C#CCN(CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(=O)OC(C)(C)C ZINC000821826362 1008496685 /nfs/dbraw/zinc/49/66/85/1008496685.db2.gz MKJWSOGDHHFHFS-UHFFFAOYSA-N -1 1 370.409 2.591 20 30 FFEDMM C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CCN1C(=O)OC(C)(C)C ZINC000773779796 1009168170 /nfs/dbraw/zinc/16/81/70/1009168170.db2.gz YMFURAAISSMHMW-SWLSCSKDSA-N -1 1 359.426 2.782 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2ccc(C#N)cc2[O-])C1 ZINC001179484854 1009348550 /nfs/dbraw/zinc/34/85/50/1009348550.db2.gz INHMKWWFQHNPPG-ORAYPTAESA-N -1 1 357.410 2.849 20 30 FFEDMM N#Cc1ccccc1N1CCC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC001180502662 1009726886 /nfs/dbraw/zinc/72/68/86/1009726886.db2.gz HDPHBENJXSNLIN-UHFFFAOYSA-N -1 1 364.331 2.550 20 30 FFEDMM CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000862613015 1009901668 /nfs/dbraw/zinc/90/16/68/1009901668.db2.gz BXKOHCNQXGOKCN-KRWDZBQOSA-N -1 1 373.453 2.981 20 30 FFEDMM CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000862613016 1009901902 /nfs/dbraw/zinc/90/19/02/1009901902.db2.gz BXKOHCNQXGOKCN-QGZVFWFLSA-N -1 1 373.453 2.981 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)c1 ZINC000794580734 1010375209 /nfs/dbraw/zinc/37/52/09/1010375209.db2.gz ZQDCBSGPFCXXRW-UHFFFAOYSA-N -1 1 371.418 2.506 20 30 FFEDMM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)c(F)c1 ZINC000773973548 1010379666 /nfs/dbraw/zinc/37/96/66/1010379666.db2.gz AIGUZWYVADADDJ-OAHLLOKOSA-N -1 1 370.336 2.582 20 30 FFEDMM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2ccc(O)c([O-])c2Cl)C1=O ZINC001274707190 1011606506 /nfs/dbraw/zinc/60/65/06/1011606506.db2.gz ZSEBCMNXWZSTIX-GOSISDBHSA-N -1 1 364.829 2.534 20 30 FFEDMM N#CC1(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC000871315916 1012851085 /nfs/dbraw/zinc/85/10/85/1012851085.db2.gz NTDWMAQGAVZCIE-GFCCVEGCSA-N -1 1 365.355 2.879 20 30 FFEDMM N#CCCCN1CC[C@@]2(CCCN2C(=O)c2cccc([O-])c2Cl)C1=O ZINC001276391689 1032697295 /nfs/dbraw/zinc/69/72/95/1032697295.db2.gz YHFHBYZODKKNKD-SFHVURJKSA-N -1 1 361.829 2.556 20 30 FFEDMM C=CCn1c(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)nnc1C(C)(C)C ZINC000828501351 1032727637 /nfs/dbraw/zinc/72/76/37/1032727637.db2.gz CINMUJUYZKYCPI-NEPJUHHUSA-N -1 1 373.423 2.655 20 30 FFEDMM C=CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000681750125 1018585844 /nfs/dbraw/zinc/58/58/44/1018585844.db2.gz VQQXRLGDOYBCIA-UHFFFAOYSA-N -1 1 372.446 2.948 20 30 FFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801369902 1018900309 /nfs/dbraw/zinc/90/03/09/1018900309.db2.gz CKRLKTWHTIRRDS-OAHLLOKOSA-N -1 1 371.437 2.856 20 30 FFEDMM N#Cc1cnc(N[C@@H]2CC[C@H](CNC(=O)c3ncccc3[O-])C2)c(Cl)c1 ZINC001047272413 1019080721 /nfs/dbraw/zinc/08/07/21/1019080721.db2.gz IMHGWCOUVCWGFY-WCQYABFASA-N -1 1 371.828 2.718 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccnc1-2 ZINC000801702488 1019264387 /nfs/dbraw/zinc/26/43/87/1019264387.db2.gz IXTNSFXTSJBWKW-UHFFFAOYSA-N -1 1 373.372 2.638 20 30 FFEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CCC(=O)N3)c2)cc1 ZINC000901674942 1019336706 /nfs/dbraw/zinc/33/67/06/1019336706.db2.gz LMVXPCLLMJRZHH-GOSISDBHSA-N -1 1 369.446 2.895 20 30 FFEDMM CCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)cc1 ZINC001117350764 1021662410 /nfs/dbraw/zinc/66/24/10/1021662410.db2.gz LJILUBSTGMDNAR-BJMVGYQFSA-N -1 1 370.357 2.928 20 30 FFEDMM N#Cc1csc(CN[C@@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)n1 ZINC001119550494 1022851958 /nfs/dbraw/zinc/85/19/58/1022851958.db2.gz HLYMEUVEUFGECP-SECBINFHSA-N -1 1 355.341 2.608 20 30 FFEDMM COc1cccc(CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C2CC2)c1 ZINC000752723719 1023197958 /nfs/dbraw/zinc/19/79/58/1023197958.db2.gz MSEVRZQMFSRBRD-UHFFFAOYSA-N -1 1 369.446 2.742 20 30 FFEDMM COc1cc([O-])cc(O[C@@H]2CNC(=O)C2)c1C(=O)/C=C/c1ccccc1 ZINC001218339997 1033112905 /nfs/dbraw/zinc/11/29/05/1033112905.db2.gz XCVBCLXLLUARIC-KIUWMYQTSA-N -1 1 353.374 2.564 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N(C)Cc1cccc(C)n1 ZINC001122489896 1023300446 /nfs/dbraw/zinc/30/04/46/1023300446.db2.gz ALGDKZJPJRWCGZ-UHFFFAOYSA-N -1 1 358.837 2.633 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)C[C@H]1CCCO1 ZINC001122612178 1023368780 /nfs/dbraw/zinc/36/87/80/1023368780.db2.gz KEXSLQOOJRHRFT-GFCCVEGCSA-N -1 1 363.849 2.890 20 30 FFEDMM O=c1nc(C=N[O-])ccn1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000755813434 1023639681 /nfs/dbraw/zinc/63/96/81/1023639681.db2.gz CTUVZPQEKUIVPV-UHFFFAOYSA-N -1 1 364.283 2.774 20 30 FFEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000837237680 1025675170 /nfs/dbraw/zinc/67/51/70/1025675170.db2.gz QGKZAHYVNCZNPZ-CJNGLKHVSA-N -1 1 373.453 2.887 20 30 FFEDMM C#C[C@H]1CCCCN1C(=O)c1ccc(I)c([O-])c1 ZINC001158806748 1027142423 /nfs/dbraw/zinc/14/24/23/1027142423.db2.gz WTNAJFKBNHXJBU-NSHDSACASA-N -1 1 355.175 2.625 20 30 FFEDMM CC#CC[C@H](CO)Nc1ccccc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000641647687 1027259260 /nfs/dbraw/zinc/25/92/60/1027259260.db2.gz YKHXXJXVQVLRFU-MRXNPFEDSA-N -1 1 374.462 2.682 20 30 FFEDMM N#Cc1ccc(Cl)nc1C(F)(F)NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279799 1027335041 /nfs/dbraw/zinc/33/50/41/1027335041.db2.gz ZJTBXTZKUUWFNL-UHFFFAOYSA-N -1 1 353.712 2.540 20 30 FFEDMM O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154212907 1028190510 /nfs/dbraw/zinc/19/05/10/1028190510.db2.gz BIRBAXIKNWFNJF-UHFFFAOYSA-N -1 1 367.748 2.528 20 30 FFEDMM CN(CCC(=O)c1ccccc1)C(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154555892 1028350947 /nfs/dbraw/zinc/35/09/47/1028350947.db2.gz IWUUMDDKRJICGA-UHFFFAOYSA-N -1 1 359.385 2.745 20 30 FFEDMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 ZINC001154685323 1028404950 /nfs/dbraw/zinc/40/49/50/1028404950.db2.gz BDBNLWSOZWBTNH-ZDUSSCGKSA-N -1 1 359.430 2.509 20 30 FFEDMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 ZINC001154685323 1028404961 /nfs/dbraw/zinc/40/49/61/1028404961.db2.gz BDBNLWSOZWBTNH-ZDUSSCGKSA-N -1 1 359.430 2.509 20 30 FFEDMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 ZINC001154685323 1028404964 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/nfs/dbraw/zinc/14/02/44/1039140244.db2.gz UZYMADMTMINBEP-ZIAGYGMSSA-N -1 1 356.469 2.751 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)cnc1Br ZINC001258201842 1039266132 /nfs/dbraw/zinc/26/61/32/1039266132.db2.gz MXVSGJZVRWOWBE-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(C#N)ccc1F)C(=O)C2 ZINC001258972660 1039629713 /nfs/dbraw/zinc/62/97/13/1039629713.db2.gz IJFBPPPSVAZSAB-SJCJKPOMSA-N -1 1 350.415 2.834 20 30 FFEDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cc(F)cc(C#N)c1)C(=O)C2 ZINC001258984993 1039640491 /nfs/dbraw/zinc/64/04/91/1039640491.db2.gz BFQYPAUAFOHNGL-SJKOYZFVSA-N -1 1 350.415 2.834 20 30 FFEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)cc1 ZINC001259177592 1039769088 /nfs/dbraw/zinc/76/90/88/1039769088.db2.gz IPRBIQRJQNSQKV-UHFFFAOYSA-N -1 1 357.431 2.812 20 30 FFEDMM C#Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)OC)cc2)ccc1F ZINC001259324775 1039914857 /nfs/dbraw/zinc/91/48/57/1039914857.db2.gz UBOMABMYEDYVHU-UHFFFAOYSA-N -1 1 361.394 2.713 20 30 FFEDMM COC(=O)c1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417124 1039985820 /nfs/dbraw/zinc/98/58/20/1039985820.db2.gz IVGCITQGYGMDRX-UHFFFAOYSA-N -1 1 370.308 2.563 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2cccnc2)C(F)(F)F)ccc1F ZINC001259420154 1039990102 /nfs/dbraw/zinc/99/01/02/1039990102.db2.gz VCEULOLXMFJCDR-ZDUSSCGKSA-N -1 1 359.304 2.674 20 30 FFEDMM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@@H](C)CC ZINC001259460151 1040024954 /nfs/dbraw/zinc/02/49/54/1040024954.db2.gz NNNJVPIXXOFOPL-HZMBPMFUSA-N -1 1 363.838 2.901 20 30 FFEDMM C=CCS(=O)(=O)[N-]c1c(C(=O)OCC)cnn1-c1ccc(Cl)cc1 ZINC001259922441 1040299412 /nfs/dbraw/zinc/29/94/12/1040299412.db2.gz IDSLJHOKDQGZAN-UHFFFAOYSA-N -1 1 369.830 2.630 20 30 FFEDMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C#N)nc1Br ZINC001260062506 1040380779 /nfs/dbraw/zinc/38/07/79/1040380779.db2.gz OYXMNTQOFGCVFN-UHFFFAOYSA-N -1 1 358.242 2.887 20 30 FFEDMM COc1ncc(Nc2cc(F)c(C#N)cc2C)cc1[N-]S(C)(=O)=O ZINC001216155772 1041965137 /nfs/dbraw/zinc/96/51/37/1041965137.db2.gz CFLCCLGUDOASNG-UHFFFAOYSA-N -1 1 350.375 2.525 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001263288449 1042223667 /nfs/dbraw/zinc/22/36/67/1042223667.db2.gz SKMDMTBXHKMZCY-ZJUUUORDSA-N -1 1 353.883 2.623 20 30 FFEDMM Cn1cc(C[N@H+]2CCC3(CN(C(=O)c4cccc([S-])c4)C3)C2)cc1C#N ZINC001279197793 1042942743 /nfs/dbraw/zinc/94/27/43/1042942743.db2.gz AQESHBNQSZOGPB-UHFFFAOYSA-N -1 1 366.490 2.534 20 30 FFEDMM Cn1cc(CN2CCC3(CN(C(=O)c4cccc([S-])c4)C3)C2)cc1C#N ZINC001279197793 1042942747 /nfs/dbraw/zinc/94/27/47/1042942747.db2.gz AQESHBNQSZOGPB-UHFFFAOYSA-N -1 1 366.490 2.534 20 30 FFEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C(=O)OCC ZINC001309807775 1043537046 /nfs/dbraw/zinc/53/70/46/1043537046.db2.gz YFPMNYYPSAHLKG-SNVBAGLBSA-N -1 1 367.254 2.565 20 30 FFEDMM [O-]c1ccc(C=NNC(=S)NCc2cccnc2)cc1Br ZINC001317717983 1045125333 /nfs/dbraw/zinc/12/53/33/1045125333.db2.gz SRIONVXBSQDWCA-UHFFFAOYSA-N -1 1 365.256 2.548 20 30 FFEDMM Cc1c2cccc(C)c2oc1C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001318044053 1045200132 /nfs/dbraw/zinc/20/01/32/1045200132.db2.gz QMIKCTSOWBCBNH-UHFFFAOYSA-N -1 1 354.387 2.929 20 30 FFEDMM N#Cc1ccc(N2C[C@@H](c3nc(-c4ccc([O-])cc4F)no3)CC2=O)cc1 ZINC001320969190 1045503762 /nfs/dbraw/zinc/50/37/62/1045503762.db2.gz RYJSKXKMXDKHAC-LBPRGKRZSA-N -1 1 364.336 2.973 20 30 FFEDMM C=CCNC(=O)c1ccccc1NC(=O)c1cc(NC(=O)C=C)ccc1[O-] ZINC001540575622 1070937408 /nfs/dbraw/zinc/93/74/08/1070937408.db2.gz DFPAIYNFVYPLHZ-UHFFFAOYSA-N -1 1 365.389 2.685 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCCC(F)F)cc1Br ZINC001339859943 1050278642 /nfs/dbraw/zinc/27/86/42/1050278642.db2.gz RMWHSUZXZBBQDG-UHFFFAOYSA-N -1 1 371.178 2.783 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@H]1CCc2c1cccc2Cl ZINC001341793800 1050405776 /nfs/dbraw/zinc/40/57/76/1050405776.db2.gz KRXDXONRCSAXLA-LBPRGKRZSA-N -1 1 360.822 2.635 20 30 FFEDMM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001341802059 1050414843 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20 30 FFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)cccc1C#N)c1cc(C)cc(C)c1 ZINC001309428316 1052617466 /nfs/dbraw/zinc/61/74/66/1052617466.db2.gz AWHVOLVZUOSZDI-KRWDZBQOSA-N -1 1 372.446 2.676 20 30 FFEDMM C[C@@H](SCc1ccccc1)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001337587973 1054869378 /nfs/dbraw/zinc/86/93/78/1054869378.db2.gz KKEOJMXWVMQXJH-GFCCVEGCSA-N -1 1 360.460 2.574 20 30 FFEDMM C=CC(C)(C)Cc1nnc(N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)n1CC ZINC001356265098 1055424018 /nfs/dbraw/zinc/42/40/18/1055424018.db2.gz LJBOCUYXXIHDGY-ZDUSSCGKSA-N -1 1 372.473 2.898 20 30 FFEDMM N#C[C@H](C(=O)[C@]1(F)CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC001357714937 1055990782 /nfs/dbraw/zinc/99/07/82/1055990782.db2.gz RVEAASICHMKRDU-QGHHPUGFSA-N -1 1 361.398 2.581 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@](C)(OC)C1 ZINC001339098059 1056089967 /nfs/dbraw/zinc/08/99/67/1056089967.db2.gz XGFLZEGZAAGOGR-QGZVFWFLSA-N -1 1 363.849 2.890 20 30 FFEDMM C=C[C@H](C)ONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001300211350 1056124428 /nfs/dbraw/zinc/12/44/28/1056124428.db2.gz UDKJBJSYJIWZPA-LBPRGKRZSA-N -1 1 364.398 2.862 20 30 FFEDMM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC001447628514 1058682117 /nfs/dbraw/zinc/68/21/17/1058682117.db2.gz RYPITZPRXZGHKZ-MRXNPFEDSA-N -1 1 369.808 2.843 20 30 FFEDMM N#CC1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2ccccc2)CC1 ZINC001354358508 1058900357 /nfs/dbraw/zinc/90/03/57/1058900357.db2.gz NEGOGRIHDMMRDI-UHFFFAOYSA-N -1 1 368.832 2.505 20 30 FFEDMM C#C[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3[O-])n2CCOC)C1 ZINC001514580318 1058995632 /nfs/dbraw/zinc/99/56/32/1058995632.db2.gz AONYQWWEYUAUEP-CYBMUJFWSA-N -1 1 360.845 2.800 20 30 FFEDMM N#CC1(CS(=O)(=O)NCCc2c(F)cc([O-])cc2F)CCCCC1 ZINC001475719076 1061233742 /nfs/dbraw/zinc/23/37/42/1061233742.db2.gz VEWSUCDCKXRNOJ-UHFFFAOYSA-N -1 1 358.410 2.606 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(SC)CC1 ZINC001523811562 1062629436 /nfs/dbraw/zinc/62/94/36/1062629436.db2.gz GBCVBXQPIRNDBM-UHFFFAOYSA-N -1 1 353.883 2.625 20 30 FFEDMM N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ncc4ccccc4c3[O-])C2)nc1 ZINC001471984505 1064879586 /nfs/dbraw/zinc/87/95/86/1064879586.db2.gz YLOWFOYXJMHZQR-MRXNPFEDSA-N -1 1 373.416 2.924 20 30 FFEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)o3)cc2)nc1 ZINC001581873701 1079010950 /nfs/dbraw/zinc/01/09/50/1079010950.db2.gz MLEVLDSSWOMSNB-UHFFFAOYSA-N -1 1 373.332 2.771 20 30 FFEDMM C=CCn1cc2ccc(NC(=O)c3ccc4n[n-]c(=S)n4c3)cc2n1 ZINC001558512999 1076021203 /nfs/dbraw/zinc/02/12/03/1076021203.db2.gz AUJKLGMCXQCPRK-UHFFFAOYSA-N -1 1 350.407 2.806 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1Cc2ccc(C#N)cc2C1 ZINC001570758492 1077228600 /nfs/dbraw/zinc/22/86/00/1077228600.db2.gz STDOXIPAJQOSBZ-UHFFFAOYSA-N -1 1 371.400 2.509 20 30 FFEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001573341516 1077675220 /nfs/dbraw/zinc/67/52/20/1077675220.db2.gz NGTUXVHQPJFVCA-UHFFFAOYSA-N -1 1 354.801 2.744 20 30 FFEDMM C#CCOc1cccc([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001588361867 1079993664 /nfs/dbraw/zinc/99/36/64/1079993664.db2.gz LIGKAYRKUDBXGM-LLVKDONJSA-N -1 1 352.350 2.698 20 30 FFEDMM C#CCOc1cccc([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001588361867 1079993670 /nfs/dbraw/zinc/99/36/70/1079993670.db2.gz LIGKAYRKUDBXGM-LLVKDONJSA-N -1 1 352.350 2.698 20 30 FFEDMM C#CCN1CCC(NC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CC1 ZINC001588475787 1080041578 /nfs/dbraw/zinc/04/15/78/1080041578.db2.gz ILNJEKYBMRUGOP-UHFFFAOYSA-N -1 1 357.435 2.819 20 30 FFEDMM C=CCCCC(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588582442 1080108609 /nfs/dbraw/zinc/10/86/09/1080108609.db2.gz KZEXUTXIPCVYAA-VIFPVBQESA-N -1 1 369.882 2.592 20 30 FFEDMM C=CCCCC(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588582442 1080108610 /nfs/dbraw/zinc/10/86/10/1080108610.db2.gz KZEXUTXIPCVYAA-VIFPVBQESA-N -1 1 369.882 2.592 20 30 FFEDMM C=CCCCC(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588583625 1080108937 /nfs/dbraw/zinc/10/89/37/1080108937.db2.gz ZLLUOMHIUCKPOS-VIFPVBQESA-N -1 1 369.882 2.592 20 30 FFEDMM C=CCCCC(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588583625 1080108944 /nfs/dbraw/zinc/10/89/44/1080108944.db2.gz ZLLUOMHIUCKPOS-VIFPVBQESA-N -1 1 369.882 2.592 20 30 FFEDMM C=CCCCN(CC)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588601370 1080120268 /nfs/dbraw/zinc/12/02/68/1080120268.db2.gz LFORJXGVYFXFHC-UHFFFAOYSA-N -1 1 354.414 2.987 20 30 FFEDMM C=CCCCN(CC)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588601370 1080120274 /nfs/dbraw/zinc/12/02/74/1080120274.db2.gz LFORJXGVYFXFHC-UHFFFAOYSA-N -1 1 354.414 2.987 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(N)ccc2F)o1 ZINC001588782219 1080193397 /nfs/dbraw/zinc/19/33/97/1080193397.db2.gz PXKBNHWLKLDZTP-UHFFFAOYSA-N -1 1 358.381 2.611 20 30 FFEDMM C=CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2OC)c1 ZINC001588872753 1080223251 /nfs/dbraw/zinc/22/32/51/1080223251.db2.gz HNQJLMAJAXKHST-UHFFFAOYSA-N -1 1 363.391 2.759 20 30 FFEDMM C=CCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])n[nH]2)c1C ZINC001588912402 1080259536 /nfs/dbraw/zinc/25/95/36/1080259536.db2.gz ITTYDFUFWQPUOI-MRXNPFEDSA-N -1 1 371.441 2.545 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]([C@@H]3CCOC3)C2)o1 ZINC001589774067 1080730154 /nfs/dbraw/zinc/73/01/54/1080730154.db2.gz VUCYSLHEPMNREE-VXGBXAGGSA-N -1 1 359.434 2.973 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]([C@H]3CCOC3)C2)o1 ZINC001589774064 1080730555 /nfs/dbraw/zinc/73/05/55/1080730555.db2.gz VUCYSLHEPMNREE-RYUDHWBXSA-N -1 1 359.434 2.973 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001590035844 1080961015 /nfs/dbraw/zinc/96/10/15/1080961015.db2.gz KPOZFOOALPWNGO-HWPZZCPQSA-N -1 1 362.434 2.541 20 30 FFEDMM Cc1oc(C(=O)[N-]c2sccc2C#N)cc1S(=O)(=O)N1CCCC1 ZINC000119490807 250480459 /nfs/dbraw/zinc/48/04/59/250480459.db2.gz QDKCVSRWLQYNNC-UHFFFAOYSA-N -1 1 365.436 2.558 20 30 FFEDMM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nn1 ZINC000302007201 258081648 /nfs/dbraw/zinc/08/16/48/258081648.db2.gz UOGKGZXMJIFXDM-UHFFFAOYSA-N -1 1 352.375 2.941 20 30 FFEDMM N#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000065895055 506387749 /nfs/dbraw/zinc/38/77/49/506387749.db2.gz PUFGSDIPXDBQIC-UHFFFAOYSA-N -1 1 373.409 2.755 20 30 FFEDMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000055639665 506809765 /nfs/dbraw/zinc/80/97/65/506809765.db2.gz BKGUVZSLLFPKDF-UHFFFAOYSA-N -1 1 357.435 2.745 20 30 FFEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000055640051 506809822 /nfs/dbraw/zinc/80/98/22/506809822.db2.gz NBHREHWJHAUYPZ-UHFFFAOYSA-N -1 1 373.390 2.604 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(C#N)cc2)c(=O)[n-]1 ZINC000025118310 507468729 /nfs/dbraw/zinc/46/87/29/507468729.db2.gz APENAAFAFDJOPO-UHFFFAOYSA-N -1 1 356.451 2.675 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=c2[nH]c3cc(Cl)ccc3n2C)cc1C#N ZINC000064091333 507784622 /nfs/dbraw/zinc/78/46/22/507784622.db2.gz WNULBOAWKCQACA-UHFFFAOYSA-N -1 1 373.825 3.173 20 30 FFEDMM C=CCN(CC1CCCCC1)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000112183710 508158403 /nfs/dbraw/zinc/15/84/03/508158403.db2.gz GOYDMJQTEKBQRH-UHFFFAOYSA-N -1 1 356.470 2.777 20 30 FFEDMM N#C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCN1Cc1ccccc1 ZINC000114311673 508303518 /nfs/dbraw/zinc/30/35/18/508303518.db2.gz FCTBJWNFWXYHOS-INIZCTEOSA-N -1 1 355.825 2.896 20 30 FFEDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc21 ZINC000156531962 508434462 /nfs/dbraw/zinc/43/44/62/508434462.db2.gz PVEWHFSTVUHOCY-UHFFFAOYSA-N -1 1 355.419 2.658 20 30 FFEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(F)cc2C#N)o1 ZINC000121967281 508458821 /nfs/dbraw/zinc/45/88/21/508458821.db2.gz CXKGPFWSOPHGOG-AWEZNQCLSA-N -1 1 352.387 2.519 20 30 FFEDMM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C ZINC000157608937 508586676 /nfs/dbraw/zinc/58/66/76/508586676.db2.gz QOGSBYFJNLXEGQ-INIZCTEOSA-N -1 1 374.422 2.846 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cn1 ZINC000118435327 508650876 /nfs/dbraw/zinc/65/08/76/508650876.db2.gz ZSFGHNFTJSBJOY-CYBMUJFWSA-N -1 1 359.304 2.674 20 30 FFEDMM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1c(C)noc1C ZINC000119261862 508760265 /nfs/dbraw/zinc/76/02/65/508760265.db2.gz VIJVKOCLSRAWIA-GFCCVEGCSA-N -1 1 364.383 2.501 20 30 FFEDMM C=CCCOCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000155222533 508951774 /nfs/dbraw/zinc/95/17/74/508951774.db2.gz OQLXIYLNNUYWSK-UHFFFAOYSA-N -1 1 374.462 2.810 20 30 FFEDMM CCCc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)[nH]n1 ZINC000126522121 509089919 /nfs/dbraw/zinc/08/99/19/509089919.db2.gz PITSBNJSYVROKP-UHFFFAOYSA-N -1 1 369.244 2.797 20 30 FFEDMM C[C@@H](C#N)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000179333018 509381002 /nfs/dbraw/zinc/38/10/02/509381002.db2.gz RTSXTRUEKOUJIR-LURJTMIESA-N -1 1 355.616 2.680 20 30 FFEDMM N#Cc1ccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1[O-] ZINC000189057094 509390774 /nfs/dbraw/zinc/39/07/74/509390774.db2.gz PFJYGCDXOAQHFX-UHFFFAOYSA-N -1 1 358.344 2.978 20 30 FFEDMM CCCCNC(=O)c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000190553626 510203213 /nfs/dbraw/zinc/20/32/13/510203213.db2.gz BPXKBTKPUMJPOF-UHFFFAOYSA-N -1 1 351.406 2.724 20 30 FFEDMM C=CCn1c(C2CCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000282500788 511003115 /nfs/dbraw/zinc/00/31/15/511003115.db2.gz DSSXDYOCZCYXET-UHFFFAOYSA-N -1 1 371.407 2.627 20 30 FFEDMM C=CCC(F)(F)C(=O)[N-][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000293290274 511911039 /nfs/dbraw/zinc/91/10/39/511911039.db2.gz HLNUJGVXXOYHGT-ZDUSSCGKSA-N -1 1 350.287 2.734 20 30 FFEDMM Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)c(OCC[NH+](C)C)c1 ZINC000446824816 513344047 /nfs/dbraw/zinc/34/40/47/513344047.db2.gz WLGUHENVHLXOLF-UHFFFAOYSA-N -1 1 373.478 2.916 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C(C2CC2)C2CC2)cc1Br ZINC000451011554 513455555 /nfs/dbraw/zinc/45/55/55/513455555.db2.gz DFWKQXXZWFXGRA-UHFFFAOYSA-N -1 1 373.247 2.927 20 30 FFEDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435133764 513519995 /nfs/dbraw/zinc/51/99/95/513519995.db2.gz SRPRCNGTMBGSRM-UHFFFAOYSA-N -1 1 364.379 2.746 20 30 FFEDMM N#Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)cc1[O-] ZINC000442968525 513831396 /nfs/dbraw/zinc/83/13/96/513831396.db2.gz RBFQCYQEFAQVAY-OAHLLOKOSA-N -1 1 371.393 2.557 20 30 FFEDMM CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)nc1C ZINC000443052013 513853438 /nfs/dbraw/zinc/85/34/38/513853438.db2.gz PFIRZTBKPQLQRY-SNVBAGLBSA-N -1 1 359.407 2.697 20 30 FFEDMM COc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc(Cl)c1[O-] ZINC000443124641 513879196 /nfs/dbraw/zinc/87/91/96/513879196.db2.gz SPFGMQBDOVFHBQ-UHFFFAOYSA-N -1 1 358.781 2.829 20 30 FFEDMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c1 ZINC000436726892 513959704 /nfs/dbraw/zinc/95/97/04/513959704.db2.gz WVJQKVFUGRSJSE-UHFFFAOYSA-N -1 1 366.782 2.725 20 30 FFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000416941841 514058870 /nfs/dbraw/zinc/05/88/70/514058870.db2.gz QTICXZQPNUJSIV-MRXNPFEDSA-N -1 1 363.483 2.911 20 30 FFEDMM N#Cc1cccc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)n1 ZINC000436978449 514060816 /nfs/dbraw/zinc/06/08/16/514060816.db2.gz HXAXHTVEWIBOMU-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427122718 514122736 /nfs/dbraw/zinc/12/27/36/514122736.db2.gz SPLKLEISUAFLSL-UHFFFAOYSA-N -1 1 361.398 2.508 20 30 FFEDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427282869 514172528 /nfs/dbraw/zinc/17/25/28/514172528.db2.gz VYESCLDYLJPWSE-UHFFFAOYSA-N -1 1 362.382 2.604 20 30 FFEDMM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1)C(=O)[O-] ZINC000427325620 514183544 /nfs/dbraw/zinc/18/35/44/514183544.db2.gz XTUZVCVYFLUVHX-AWEZNQCLSA-N -1 1 373.434 2.716 20 30 FFEDMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1C#N ZINC000508080123 514658627 /nfs/dbraw/zinc/65/86/27/514658627.db2.gz STOCUPYQTFFMGS-UHFFFAOYSA-N -1 1 361.423 2.505 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc(-n2cccn2)c1 ZINC000475826726 514825396 /nfs/dbraw/zinc/82/53/96/514825396.db2.gz BSPFVSQLQQJIGY-UHFFFAOYSA-N -1 1 354.391 2.553 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(C)(C)CCC#N ZINC000489842492 514997126 /nfs/dbraw/zinc/99/71/26/514997126.db2.gz JGJZKQWKQDTDCE-UHFFFAOYSA-N -1 1 353.426 2.541 20 30 FFEDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000467763834 515106796 /nfs/dbraw/zinc/10/67/96/515106796.db2.gz KRLYODUGRMYGOD-UHFFFAOYSA-N -1 1 370.887 2.839 20 30 FFEDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000509380711 515149982 /nfs/dbraw/zinc/14/99/82/515149982.db2.gz YAMNZDZNUOCJEJ-UHFFFAOYSA-N -1 1 358.419 2.957 20 30 FFEDMM C=CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000509626973 515263508 /nfs/dbraw/zinc/26/35/08/515263508.db2.gz VPIPSLNRAIMQLM-UHFFFAOYSA-N -1 1 364.373 2.880 20 30 FFEDMM C=CCC[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)OCC ZINC000456601958 515278930 /nfs/dbraw/zinc/27/89/30/515278930.db2.gz GTAHXUOPXNBWRY-LBPRGKRZSA-N -1 1 356.216 2.782 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000468807654 515529323 /nfs/dbraw/zinc/52/93/23/515529323.db2.gz COMQSZQDWYBVHV-UHFFFAOYSA-N -1 1 373.434 2.886 20 30 FFEDMM COc1ccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)cn1 ZINC000505475059 515547221 /nfs/dbraw/zinc/54/72/21/515547221.db2.gz XNCSGMVYOJRFEN-NSHDSACASA-N -1 1 369.406 2.663 20 30 FFEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000493281162 515617934 /nfs/dbraw/zinc/61/79/34/515617934.db2.gz OHRYFPYQDLCGEQ-UHFFFAOYSA-N -1 1 357.439 2.699 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccc(C)c(C)c1 ZINC000469255425 515742602 /nfs/dbraw/zinc/74/26/02/515742602.db2.gz YZIXYDQHYNVURZ-GOSISDBHSA-N -1 1 372.446 2.676 20 30 FFEDMM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000478703967 515932727 /nfs/dbraw/zinc/93/27/27/515932727.db2.gz YJKUQRJDGYYSSN-UHFFFAOYSA-N -1 1 356.382 2.899 20 30 FFEDMM N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1cnc2ccccc2n1 ZINC000483229547 515996273 /nfs/dbraw/zinc/99/62/73/515996273.db2.gz BKBOBVLUCKHELM-AWEZNQCLSA-N -1 1 359.389 2.684 20 30 FFEDMM N#Cc1cccc(F)c1CC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000501262440 516034007 /nfs/dbraw/zinc/03/40/07/516034007.db2.gz LLIWZEWXLLIKBS-UHFFFAOYSA-N -1 1 356.307 2.969 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000479246298 516124490 /nfs/dbraw/zinc/12/44/90/516124490.db2.gz BLBQAQINNGOCHX-UHFFFAOYSA-N -1 1 359.407 2.828 20 30 FFEDMM Cc1cc(C(C#N)=C([O-])c2ccc(=O)n(-c3cccc(F)c3)c2)nc(C)n1 ZINC000531200306 516344890 /nfs/dbraw/zinc/34/48/90/516344890.db2.gz PHTUNQYMVSQGIF-QGZVFWFLSA-N -1 1 362.364 2.874 20 30 FFEDMM COc1cc(NC(=O)NCC(C)(C)CCC#N)ccc1[N-]S(C)(=O)=O ZINC000562170317 516941179 /nfs/dbraw/zinc/94/11/79/516941179.db2.gz AUCHCRYVNAKCFZ-UHFFFAOYSA-N -1 1 368.459 2.518 20 30 FFEDMM C=CCCC[C@H](C)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000537253058 517110741 /nfs/dbraw/zinc/11/07/41/517110741.db2.gz VUUICKSMFQFWRX-LBPRGKRZSA-N -1 1 355.460 2.933 20 30 FFEDMM CC1([C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])CCCCC1 ZINC000548684421 517144172 /nfs/dbraw/zinc/14/41/72/517144172.db2.gz HFWADMRUFGFGIT-AWEZNQCLSA-N -1 1 372.393 2.538 20 30 FFEDMM Cc1ccc(I)cc1C([O-])=C(C#N)c1ccncn1 ZINC000546860312 517894564 /nfs/dbraw/zinc/89/45/64/517894564.db2.gz OZJUSLOZKNBHGE-LBPRGKRZSA-N -1 1 363.158 2.880 20 30 FFEDMM CC(C)n1nnnc1-c1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000581669713 518399718 /nfs/dbraw/zinc/39/97/18/518399718.db2.gz DNELCHZWBNDXBW-UHFFFAOYSA-N -1 1 362.459 2.603 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1C#N ZINC000573461827 518677426 /nfs/dbraw/zinc/67/74/26/518677426.db2.gz IEZJRNZVZAEJLT-NSHDSACASA-N -1 1 361.370 2.905 20 30 FFEDMM CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589164457 518935411 /nfs/dbraw/zinc/93/54/11/518935411.db2.gz DIRZQAYHUKPTBQ-UHFFFAOYSA-N -1 1 373.434 2.595 20 30 FFEDMM COCCN(CCOc1ccc(F)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589178716 518941572 /nfs/dbraw/zinc/94/15/72/518941572.db2.gz ANHKPFXEFQHTKR-UHFFFAOYSA-N -1 1 358.369 2.571 20 30 FFEDMM COCCOCCN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589189464 518946481 /nfs/dbraw/zinc/94/64/81/518946481.db2.gz ZLDPLEYCJMQAAB-UHFFFAOYSA-N -1 1 354.406 2.569 20 30 FFEDMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)cc2[nH]1 ZINC000589585610 519034663 /nfs/dbraw/zinc/03/46/63/519034663.db2.gz GAMXMPSWYCXQKP-UHFFFAOYSA-N -1 1 355.423 2.928 20 30 FFEDMM C=CCCCCCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000574218218 519045456 /nfs/dbraw/zinc/04/54/56/519045456.db2.gz VJZDYKZVQUTCRI-UHFFFAOYSA-N -1 1 355.460 2.935 20 30 FFEDMM COc1ccc(-c2n[nH]c(NC(=O)c3cscc3C#N)n2)cc1OC ZINC000590257310 519182255 /nfs/dbraw/zinc/18/22/55/519182255.db2.gz DELJJHGVJAFEFA-UHFFFAOYSA-N -1 1 355.379 2.674 20 30 FFEDMM C=C[C@@H]1OCC[C@H]1C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000577933424 519327057 /nfs/dbraw/zinc/32/70/57/519327057.db2.gz XHMKTDYLEVIARU-SCZZXKLOSA-N -1 1 368.256 2.852 20 30 FFEDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(CC#N)c3)ccc21 ZINC000590745219 519345175 /nfs/dbraw/zinc/34/51/75/519345175.db2.gz UUURQWJFEZLJFM-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM CC[C@@](CNC(=O)c1cc([O-])cc(C#N)c1)(C(=O)OC)c1ccccc1 ZINC000591124677 519522735 /nfs/dbraw/zinc/52/27/35/519522735.db2.gz RHMMZTMZOAECBL-FQEVSTJZSA-N -1 1 352.390 2.515 20 30 FFEDMM C=CC[C@H](CO)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000572295401 519543037 /nfs/dbraw/zinc/54/30/37/519543037.db2.gz IKILGHJHQHMLRZ-JTQLQIEISA-N -1 1 365.227 2.617 20 30 FFEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)C1CCCCCC1 ZINC000594481953 519990900 /nfs/dbraw/zinc/99/09/00/519990900.db2.gz KVFKXBGZXVDGNT-OAHLLOKOSA-N -1 1 356.488 2.502 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCN(c3cccc(F)c3F)CC2)cc1[O-] ZINC000597711194 520191393 /nfs/dbraw/zinc/19/13/93/520191393.db2.gz GWWKNEYBYRPKJN-UHFFFAOYSA-N -1 1 357.360 2.895 20 30 FFEDMM Cc1[n-][nH]c(=NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1Br ZINC000597730759 520202659 /nfs/dbraw/zinc/20/26/59/520202659.db2.gz ABNSFROXIQYROI-UHFFFAOYSA-N -1 1 363.215 2.570 20 30 FFEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000617037208 520296456 /nfs/dbraw/zinc/29/64/56/520296456.db2.gz JLZMVJZJRABIDX-MAUKXSAKSA-N -1 1 366.465 2.934 20 30 FFEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000617037207 520296812 /nfs/dbraw/zinc/29/68/12/520296812.db2.gz JLZMVJZJRABIDX-CRAIPNDOSA-N -1 1 366.465 2.934 20 30 FFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2c(O)cccc2F)c1 ZINC000610657303 520784242 /nfs/dbraw/zinc/78/42/42/520784242.db2.gz XGOSTTCIZPDECO-UHFFFAOYSA-N -1 1 371.187 2.966 20 30 FFEDMM COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000593211925 520832604 /nfs/dbraw/zinc/83/26/04/520832604.db2.gz PCTCBLYCOBEMHE-UHFFFAOYSA-N -1 1 351.350 2.791 20 30 FFEDMM N#Cc1cccc(CN2CCC(NC(=O)c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000593232022 520846148 /nfs/dbraw/zinc/84/61/48/520846148.db2.gz LGZAMYGKBNOAQH-UHFFFAOYSA-N -1 1 363.417 2.651 20 30 FFEDMM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614357588 520923889 /nfs/dbraw/zinc/92/38/89/520923889.db2.gz VYMUEJCVTBWVKA-UHFFFAOYSA-N -1 1 373.434 2.593 20 30 FFEDMM COCCN(C(=O)c1cc([O-])cc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000614370128 520930371 /nfs/dbraw/zinc/93/03/71/520930371.db2.gz JHLSAIKQYCNHBM-UHFFFAOYSA-N -1 1 356.378 2.574 20 30 FFEDMM CCc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)on1 ZINC000611022804 520949987 /nfs/dbraw/zinc/94/99/87/520949987.db2.gz BZOREEDERZZUNS-UHFFFAOYSA-N -1 1 359.329 2.606 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc3n2[C@@H](C)CCC3)n1 ZINC000593456811 521005125 /nfs/dbraw/zinc/00/51/25/521005125.db2.gz JBQVXXMSWLATKB-WDEREUQCSA-N -1 1 358.423 2.904 20 30 FFEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C(C#N)(CC)CC)c2)n1 ZINC000599848568 521511357 /nfs/dbraw/zinc/51/13/57/521511357.db2.gz GDCFLEVLPMTHMX-UHFFFAOYSA-N -1 1 369.425 2.595 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)c1 ZINC000594362103 521575694 /nfs/dbraw/zinc/57/56/94/521575694.db2.gz QYZVPUZDMLJZFS-UHFFFAOYSA-N -1 1 357.797 2.996 20 30 FFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000619461596 521579894 /nfs/dbraw/zinc/57/98/94/521579894.db2.gz BFHQDLKEALMXEP-UHFFFAOYSA-N -1 1 352.419 2.798 20 30 FFEDMM COCCn1ncc2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc21 ZINC000619462364 521580545 /nfs/dbraw/zinc/58/05/45/521580545.db2.gz KOUPIWQDGPNWKZ-UHFFFAOYSA-N -1 1 370.434 2.550 20 30 FFEDMM CNC(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000619462053 521581443 /nfs/dbraw/zinc/58/14/43/521581443.db2.gz VSPUWTPSDUITRF-UHFFFAOYSA-N -1 1 363.826 2.566 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000619753195 521854410 /nfs/dbraw/zinc/85/44/10/521854410.db2.gz PMQBBKFKZMVURI-UHFFFAOYSA-N -1 1 372.780 2.977 20 30 FFEDMM C=CCCSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC000735416918 598823936 /nfs/dbraw/zinc/82/39/36/598823936.db2.gz UBDXPSAKHJBQNK-UHFFFAOYSA-N -1 1 356.411 2.706 20 30 FFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1Cl ZINC000737673821 599031687 /nfs/dbraw/zinc/03/16/87/599031687.db2.gz DJYIFILTJGMUDJ-GFCCVEGCSA-N -1 1 374.191 2.563 20 30 FFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1Cl ZINC000737673821 599031689 /nfs/dbraw/zinc/03/16/89/599031689.db2.gz DJYIFILTJGMUDJ-GFCCVEGCSA-N -1 1 374.191 2.563 20 30 FFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000819847732 597660084 /nfs/dbraw/zinc/66/00/84/597660084.db2.gz OLCNPXVPYUEMKQ-LBPRGKRZSA-N -1 1 361.579 2.751 20 30 FFEDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2nnn[n-]2)o1 ZINC000823634477 599333471 /nfs/dbraw/zinc/33/34/71/599333471.db2.gz HAFNNHSIKKVPRE-UHFFFAOYSA-N -1 1 367.247 2.833 20 30 FFEDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2nn[n-]n2)o1 ZINC000823634477 599333474 /nfs/dbraw/zinc/33/34/74/599333474.db2.gz HAFNNHSIKKVPRE-UHFFFAOYSA-N -1 1 367.247 2.833 20 30 FFEDMM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000736661764 600521540 /nfs/dbraw/zinc/52/15/40/600521540.db2.gz IKLKXRSLUQCTKW-KGLIPLIRSA-N -1 1 351.406 2.612 20 30 FFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(C#N)cc2F)o1 ZINC000820108512 607464177 /nfs/dbraw/zinc/46/41/77/607464177.db2.gz KZVPXZFGAZUROX-UHFFFAOYSA-N -1 1 354.349 2.510 20 30 FFEDMM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827716822 600762084 /nfs/dbraw/zinc/76/20/84/600762084.db2.gz BGNJDUNFJVLYFU-KGLIPLIRSA-N -1 1 351.406 2.612 20 30 FFEDMM N#Cc1cccc([C@H](Nc2ccc(CCN3CCOCC3)cc2)C(=O)[O-])c1 ZINC000833075955 601302472 /nfs/dbraw/zinc/30/24/72/601302472.db2.gz OUZWPMTVLITRPF-FQEVSTJZSA-N -1 1 365.433 2.671 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000740130536 602793534 /nfs/dbraw/zinc/79/35/34/602793534.db2.gz OCLJFEIUHGQSAM-SOLBZPMBSA-N -1 1 372.469 2.608 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000830968711 604212880 /nfs/dbraw/zinc/21/28/80/604212880.db2.gz JCOJZQWGXDIEPN-GJZGRUSLSA-N -1 1 362.389 2.801 20 30 FFEDMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1Cc1ccc(C#N)cc1Br ZINC000833834550 605425078 /nfs/dbraw/zinc/42/50/78/605425078.db2.gz OPQVVFKMPUTFRP-ZYHUDNBSSA-N -1 1 352.232 2.799 20 30 FFEDMM N#CCCn1cc(CN2CCC[C@@H](NC(=O)[O-])C2)c(-c2ccccc2)n1 ZINC000833965962 605486789 /nfs/dbraw/zinc/48/67/89/605486789.db2.gz WKRGBDBYNCOKRF-QGZVFWFLSA-N -1 1 353.426 2.696 20 30 FFEDMM N#Cc1ccc(O)c(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1 ZINC000833977555 605539171 /nfs/dbraw/zinc/53/91/71/605539171.db2.gz PVJXEFBXGWUHQE-UHFFFAOYSA-N -1 1 354.366 2.633 20 30 FFEDMM Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H](C)C#N)cc1C(=O)[O-] ZINC000779844632 605597338 /nfs/dbraw/zinc/59/73/38/605597338.db2.gz JPWCABMAQOFNJJ-LBPRGKRZSA-N -1 1 360.391 2.785 20 30 FFEDMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000833827624 605901358 /nfs/dbraw/zinc/90/13/58/605901358.db2.gz BVWPOGCWGDLKIK-GXTWGEPZSA-N -1 1 356.344 2.915 20 30 FFEDMM C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC000820696749 606368618 /nfs/dbraw/zinc/36/86/18/606368618.db2.gz BUKLSBJATJNTJN-FOGDFJRCSA-N -1 1 363.516 2.551 20 30 FFEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820120332 606504747 /nfs/dbraw/zinc/50/47/47/606504747.db2.gz CFJJFGGBZDEMRH-UHFFFAOYSA-N -1 1 352.423 2.851 20 30 FFEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820120332 606504749 /nfs/dbraw/zinc/50/47/49/606504749.db2.gz CFJJFGGBZDEMRH-UHFFFAOYSA-N -1 1 352.423 2.851 20 30 FFEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821110029 606505477 /nfs/dbraw/zinc/50/54/77/606505477.db2.gz WFZFGNPJCFGKTN-UHFFFAOYSA-N -1 1 352.423 2.852 20 30 FFEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821110029 606505479 /nfs/dbraw/zinc/50/54/79/606505479.db2.gz WFZFGNPJCFGKTN-UHFFFAOYSA-N -1 1 352.423 2.852 20 30 FFEDMM N#Cc1c2c(sc1[N-]C(=O)c1c(F)cc(-c3nn[nH]n3)cc1F)CCC2 ZINC000822818820 606664903 /nfs/dbraw/zinc/66/49/03/606664903.db2.gz GMPURTCCFKZFIU-UHFFFAOYSA-N -1 1 372.360 2.819 20 30 FFEDMM Cc1cc(N)ccc1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000823963260 607964876 /nfs/dbraw/zinc/96/48/76/607964876.db2.gz ZUUMGRNVTHAXRV-UHFFFAOYSA-N -1 1 354.418 2.780 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(C#N)cc1F ZINC000823962613 609276086 /nfs/dbraw/zinc/27/60/86/609276086.db2.gz MWVDBEPKSVKLSA-UHFFFAOYSA-N -1 1 368.376 2.999 20 30 FFEDMM O=C([N-]CCCN1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000154837807 728813247 /nfs/dbraw/zinc/81/32/47/728813247.db2.gz XBSKOOCMOKDPOJ-UHFFFAOYSA-N -1 1 360.220 2.872 20 30 FFEDMM CSc1nc(C)c(CCC(=O)OCc2ccc(C#N)cc2C)c(=O)[n-]1 ZINC000131312300 728721982 /nfs/dbraw/zinc/72/19/82/728721982.db2.gz WWARMLBNNWTKIK-UHFFFAOYSA-N -1 1 357.435 2.656 20 30 FFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(F)c1 ZINC000170940608 728992857 /nfs/dbraw/zinc/99/28/57/728992857.db2.gz XHMBDKQFIZGWFQ-UHFFFAOYSA-N -1 1 369.761 2.737 20 30 FFEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000779891953 738493866 /nfs/dbraw/zinc/49/38/66/738493866.db2.gz AMCSOWIWIKNRAV-UHFFFAOYSA-N -1 1 358.616 2.628 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869736500 731434050 /nfs/dbraw/zinc/43/40/50/731434050.db2.gz IWMAAPNNWBRIDR-DIFFPNOSSA-N -1 1 352.818 2.574 20 30 FFEDMM C=C(Cl)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)OCC ZINC000870027738 731463661 /nfs/dbraw/zinc/46/36/61/731463661.db2.gz ZJIYGTQDGCQCNW-LLVKDONJSA-N -1 1 362.209 2.858 20 30 FFEDMM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cc(F)cc(F)c1[O-] ZINC000884413612 733521936 /nfs/dbraw/zinc/52/19/36/733521936.db2.gz XYUOHIVKWXGYJH-UHFFFAOYSA-N -1 1 354.382 2.524 20 30 FFEDMM C=CCOCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000682615457 734089024 /nfs/dbraw/zinc/08/90/24/734089024.db2.gz GVQASPLWAGLWDO-UHFFFAOYSA-N -1 1 372.643 2.723 20 30 FFEDMM O=c1nc(NN=Cc2ccc(-c3ccc(F)cc3)s2)nc2[nH][n-]cc1-2 ZINC000731154582 734668699 /nfs/dbraw/zinc/66/86/99/734668699.db2.gz SNFCZSBBPRAOIO-UHFFFAOYSA-N -1 1 354.370 2.746 20 30 FFEDMM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000733320098 734808635 /nfs/dbraw/zinc/80/86/35/734808635.db2.gz DAJRURLJLCAFKX-SECBINFHSA-N -1 1 369.258 2.700 20 30 FFEDMM N#CCCN(Cc1cccnc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735295003 734939029 /nfs/dbraw/zinc/93/90/29/734939029.db2.gz MJLDSGXUVZRETK-UHFFFAOYSA-N -1 1 351.439 2.771 20 30 FFEDMM C#CCSCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740928104 735099756 /nfs/dbraw/zinc/09/97/56/735099756.db2.gz DMBLTVLOVUIDFA-UHFFFAOYSA-N -1 1 350.440 2.835 20 30 FFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000741656972 735154728 /nfs/dbraw/zinc/15/47/28/735154728.db2.gz HNRXTXCHMPUELK-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1CCC#N ZINC000897576865 735251163 /nfs/dbraw/zinc/25/11/63/735251163.db2.gz OUWFCLCDJWVUNI-UHFFFAOYSA-N -1 1 363.215 2.503 20 30 FFEDMM CC(C)Oc1ccccc1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748248115 735630112 /nfs/dbraw/zinc/63/01/12/735630112.db2.gz GUSNUMQJWVBSHL-UHFFFAOYSA-N -1 1 363.395 2.694 20 30 FFEDMM CC(C)Oc1cccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000748248483 735630269 /nfs/dbraw/zinc/63/02/69/735630269.db2.gz PQFSYTGJDRNQCJ-UHFFFAOYSA-N -1 1 363.395 2.694 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC(c2ccccc2F)C1 ZINC000748255546 735631394 /nfs/dbraw/zinc/63/13/94/735631394.db2.gz YPABVCRMURIBML-UHFFFAOYSA-N -1 1 363.370 2.946 20 30 FFEDMM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c([O-])cc(F)cc1F ZINC000749285055 735711037 /nfs/dbraw/zinc/71/10/37/735711037.db2.gz ZZAIMIJNYMGWTA-UHFFFAOYSA-N -1 1 366.707 2.991 20 30 FFEDMM COc1cc(C(=O)/C=C\c2c3c(nn2C)CCSC3)cc(OC)c1[O-] ZINC000901522776 735790075 /nfs/dbraw/zinc/79/00/75/735790075.db2.gz ASXNJNPZBCWHDC-PLNGDYQASA-N -1 1 360.435 2.828 20 30 FFEDMM COc1cc(C(=O)/C=C/c2c3c(nn2C)CCSC3)cc(OC)c1[O-] ZINC000901522777 735790190 /nfs/dbraw/zinc/79/01/90/735790190.db2.gz ASXNJNPZBCWHDC-SNAWJCMRSA-N -1 1 360.435 2.828 20 30 FFEDMM C#CCC[C@@H](O)C[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902931177 736010033 /nfs/dbraw/zinc/01/00/33/736010033.db2.gz NVEVVLOIBAQBGF-SECBINFHSA-N -1 1 370.705 2.736 20 30 FFEDMM CCCCn1cc(S(=O)(=O)[N-]c2cc(OC)c(C#N)cc2F)c(C)n1 ZINC000905105805 736297904 /nfs/dbraw/zinc/29/79/04/736297904.db2.gz FRVSIYRSLYJCSA-UHFFFAOYSA-N -1 1 366.418 2.812 20 30 FFEDMM C#CCNC(=S)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000758194702 736461236 /nfs/dbraw/zinc/46/12/36/736461236.db2.gz VKAXZGKYOYLFAK-UHFFFAOYSA-N -1 1 359.476 2.715 20 30 FFEDMM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000908755783 736827617 /nfs/dbraw/zinc/82/76/17/736827617.db2.gz ZZIPMAIDCIURML-INIZCTEOSA-N -1 1 365.861 2.759 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cc(Cl)cc3cccnc23)c2ccccc21 ZINC000763168349 736909764 /nfs/dbraw/zinc/90/97/64/736909764.db2.gz WOTPUNMOOAPIFP-UHFFFAOYSA-N -1 1 370.821 2.961 20 30 FFEDMM CC(C)O[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000764912610 737062231 /nfs/dbraw/zinc/06/22/31/737062231.db2.gz XXKPICLQZPGSOE-OAHLLOKOSA-N -1 1 369.443 2.594 20 30 FFEDMM N#Cc1ccccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199859 737206413 /nfs/dbraw/zinc/20/64/13/737206413.db2.gz KFEHVVWNIHMTLP-UHFFFAOYSA-N -1 1 367.224 2.505 20 30 FFEDMM N#C[C@@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C1CC1 ZINC000769784495 737565754 /nfs/dbraw/zinc/56/57/54/737565754.db2.gz LXBBCWWWJKBMAR-LLVKDONJSA-N -1 1 357.288 2.535 20 30 FFEDMM C[C@@H](C#N)OC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000916075474 737676334 /nfs/dbraw/zinc/67/63/34/737676334.db2.gz XXKYOMBXHMLISR-LBPRGKRZSA-N -1 1 362.382 2.624 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-][C@H]2c3ccccc3OC[C@@H]2F)CCCCC1 ZINC000921319406 737960452 /nfs/dbraw/zinc/96/04/52/737960452.db2.gz OXVINKATGMUKEP-HOCLYGCPSA-N -1 1 352.431 2.852 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000776749126 738229291 /nfs/dbraw/zinc/22/92/91/738229291.db2.gz ZOGFLCURZDLREV-UHFFFAOYSA-N -1 1 366.826 2.762 20 30 FFEDMM C#CCOc1ccccc1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000778000549 738340920 /nfs/dbraw/zinc/34/09/20/738340920.db2.gz PZAPQCIWROIHKS-UHFFFAOYSA-N -1 1 371.245 2.879 20 30 FFEDMM COc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnc1Br ZINC000788352901 739236795 /nfs/dbraw/zinc/23/67/95/739236795.db2.gz WCDWVQRQJJHBSL-NSHDSACASA-N -1 1 361.199 2.750 20 30 FFEDMM CC(C)(C)[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OCc1ccccc1 ZINC000790048164 739412774 /nfs/dbraw/zinc/41/27/74/739412774.db2.gz AHZGAQZMQHAMBZ-OAHLLOKOSA-N -1 1 366.483 2.614 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@@H]1c1ccccn1 ZINC000794916403 739942112 /nfs/dbraw/zinc/94/21/12/739942112.db2.gz WNKQPARKPIMORX-GFCCVEGCSA-N -1 1 360.395 2.592 20 30 FFEDMM CC(=[NH+][N-]c1cncnc1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000794977107 739947072 /nfs/dbraw/zinc/94/70/72/739947072.db2.gz VXVMJHNSYLUGEH-UHFFFAOYSA-N -1 1 358.199 2.917 20 30 FFEDMM Cc1cc(S(=O)(=O)Nc2ccccc2O[C@H](C)C#N)ccc1C(=O)[O-] ZINC000795347103 740007646 /nfs/dbraw/zinc/00/76/46/740007646.db2.gz FPSWMTWPWYNNAN-GFCCVEGCSA-N -1 1 360.391 2.785 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCC#N)c1 ZINC000799776921 740450590 /nfs/dbraw/zinc/45/05/90/740450590.db2.gz WNENJLZOFFVQFE-UHFFFAOYSA-N -1 1 357.435 2.748 20 30 FFEDMM C=C(C)[C@H](CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)OCC ZINC000807708273 741149997 /nfs/dbraw/zinc/14/99/97/741149997.db2.gz PHDXEPUSNCNZGX-ABHRYQDASA-N -1 1 364.408 2.662 20 30 FFEDMM C#C[C@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(C)(C)C ZINC000808314912 741211068 /nfs/dbraw/zinc/21/10/68/741211068.db2.gz MDQOAWYIXBHAFO-CYDGBPFRSA-N -1 1 361.408 2.521 20 30 FFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1nccc2ccccc21 ZINC000811638689 741544867 /nfs/dbraw/zinc/54/48/67/741544867.db2.gz WPRQIJGSDJBWKY-UHFFFAOYSA-N -1 1 350.403 2.698 20 30 FFEDMM O=C([O-])c1cccc(C=Nn2c(=O)c3ccccc3[nH]c2=S)c1Cl ZINC000814780977 741863855 /nfs/dbraw/zinc/86/38/55/741863855.db2.gz PMDIEJDIFCJKCA-UHFFFAOYSA-N -1 1 359.794 2.919 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](NCc2cccc([O-])c2Cl)[C@@H](C#N)C1 ZINC000816569392 742042939 /nfs/dbraw/zinc/04/29/39/742042939.db2.gz JXAYUDWAQCREEV-STQMWFEESA-N -1 1 351.834 2.894 20 30 FFEDMM C=CCC(F)(F)C(=O)[N-][C@H](CO)c1ccc(Br)c(F)c1 ZINC000817045433 742083899 /nfs/dbraw/zinc/08/38/99/742083899.db2.gz ZXWXCNNKPDFSMB-LLVKDONJSA-N -1 1 352.150 2.949 20 30 FFEDMM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958371 743004296 /nfs/dbraw/zinc/00/42/96/743004296.db2.gz LQOQAPAEMRMHFI-UHFFFAOYSA-N -1 1 354.321 2.573 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)o1 ZINC000839046744 746761677 /nfs/dbraw/zinc/76/16/77/746761677.db2.gz AGWHVNFKJHMSDK-NEPJUHHUSA-N -1 1 354.428 2.596 20 30 FFEDMM C=CCC[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1ccccc1 ZINC000843016446 747748150 /nfs/dbraw/zinc/74/81/50/747748150.db2.gz SHHYPKSRZCFFJA-KRWDZBQOSA-N -1 1 364.511 2.667 20 30 FFEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000398286702 845871912 /nfs/dbraw/zinc/87/19/12/845871912.db2.gz UWVYLRXNVSJNPL-SECBINFHSA-N -1 1 350.282 2.514 20 30 FFEDMM C#Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2N)cc1 ZINC001210115496 960691862 /nfs/dbraw/zinc/69/18/62/960691862.db2.gz XVILETOSTKFQOD-UHFFFAOYSA-N -1 1 351.225 2.813 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3(C#N)CC3)c2)cc1 ZINC000583300887 967391772 /nfs/dbraw/zinc/39/17/72/967391772.db2.gz JETBATUKDBTKPZ-UHFFFAOYSA-N -1 1 369.446 2.829 20 30 FFEDMM C#CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc2sccc2c1[O-] ZINC001271026528 967975699 /nfs/dbraw/zinc/97/56/99/967975699.db2.gz MMESOVHKIUAYKH-FQEVSTJZSA-N -1 1 368.458 2.837 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000685417426 968210668 /nfs/dbraw/zinc/21/06/68/968210668.db2.gz JXQYENSSVBPGND-UHFFFAOYSA-N -1 1 350.374 2.705 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@](C)(CCF)C(=O)[O-] ZINC001592225947 977415238 /nfs/dbraw/zinc/41/52/38/977415238.db2.gz QHEGQGLTSPPOAN-SJCJKPOMSA-N -1 1 367.446 2.812 20 30 FFEDMM N#CC1(c2ccnc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)c2)CC1 ZINC001167935079 978188372 /nfs/dbraw/zinc/18/83/72/978188372.db2.gz OEEJCGBUQHDGNA-UHFFFAOYSA-N -1 1 355.334 2.721 20 30 FFEDMM N#CCCCN1CC[C@]2(CCCN2C(=O)c2ccc([O-])cc2Cl)C1=O ZINC001271914844 979268652 /nfs/dbraw/zinc/26/86/52/979268652.db2.gz JFSQXRLZYXBQOX-GOSISDBHSA-N -1 1 361.829 2.556 20 30 FFEDMM C#CCN1CC[C@@]2(CCCN(C(=O)c3ccc([O-])cc3Cl)CC2)C1=O ZINC001271915370 979269353 /nfs/dbraw/zinc/26/93/53/979269353.db2.gz OUGYKGBEHPKZGO-IBGZPJMESA-N -1 1 360.841 2.524 20 30 FFEDMM C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088471577 979755952 /nfs/dbraw/zinc/75/59/52/979755952.db2.gz UBOAIBZEMJZYHM-ACJLOTCBSA-N -1 1 353.397 2.796 20 30 FFEDMM C=CCn1c(CC(C)C)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000908642526 981488015 /nfs/dbraw/zinc/48/80/15/981488015.db2.gz GWHJHSPPDNZCBZ-CYBMUJFWSA-N -1 1 358.446 2.508 20 30 FFEDMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2cccc(OCC#N)c2)c1 ZINC000760640961 984306006 /nfs/dbraw/zinc/30/60/06/984306006.db2.gz ULBXGHTVSIPTKQ-UHFFFAOYSA-N -1 1 353.374 2.826 20 30 FFEDMM C#CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000764513200 984541111 /nfs/dbraw/zinc/54/11/11/984541111.db2.gz GJCUOYSAWAQROE-SFHVURJKSA-N -1 1 350.418 2.632 20 30 FFEDMM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000674952674 989987083 /nfs/dbraw/zinc/98/70/83/989987083.db2.gz PIQGBIGDYSSKIE-CYBMUJFWSA-N -1 1 372.446 2.994 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000740065998 991630698 /nfs/dbraw/zinc/63/06/98/991630698.db2.gz GTPZCWHTOKJEBX-SJORKVTESA-N -1 1 372.469 2.528 20 30 FFEDMM CC(C)N(Cc1cccc(C(=O)[O-])c1C#N)C[C@H](O)COc1ccccc1 ZINC001591600322 992829747 /nfs/dbraw/zinc/82/97/47/992829747.db2.gz JXWAPCSBFUQAIJ-KRWDZBQOSA-N -1 1 368.433 2.907 20 30 FFEDMM C#CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000727039280 994432081 /nfs/dbraw/zinc/43/20/81/994432081.db2.gz BWISWGUITHRRSV-UHFFFAOYSA-N -1 1 373.430 2.985 20 30 FFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000809688793 994581663 /nfs/dbraw/zinc/58/16/63/994581663.db2.gz PKMSPGNJKMJLJH-WBMJQRKESA-N -1 1 359.426 2.639 20 30 FFEDMM C#CCOc1cccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000731013091 997620014 /nfs/dbraw/zinc/62/00/14/997620014.db2.gz IIZZYIRPMGYWCH-UHFFFAOYSA-N -1 1 374.400 2.746 20 30 FFEDMM CCOC(=O)C(C)(C)CCCC(C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000844581812 997987635 /nfs/dbraw/zinc/98/76/35/997987635.db2.gz VXLDTIYAKRNFDF-UHFFFAOYSA-N -1 1 362.434 2.616 20 30 FFEDMM CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000785583978 1001453633 /nfs/dbraw/zinc/45/36/33/1001453633.db2.gz SUMMYGSZIKNFIG-UHFFFAOYSA-N -1 1 359.426 2.735 20 30 FFEDMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785592110 1001455515 /nfs/dbraw/zinc/45/55/15/1001455515.db2.gz NPLJYHBJKAFZTC-HNNXBMFYSA-N -1 1 361.442 2.933 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000785637733 1001465388 /nfs/dbraw/zinc/46/53/88/1001465388.db2.gz LKMFJXHQTLRQPR-OAHLLOKOSA-N -1 1 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1007700165 /nfs/dbraw/zinc/70/01/65/1007700165.db2.gz AJLWCSQMFZHHRT-UHFFFAOYSA-N -1 1 371.437 2.879 20 30 FFEDMM CC[C@H](C#N)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856172216 1007709931 /nfs/dbraw/zinc/70/99/31/1007709931.db2.gz WHUFZJLDDLRVLZ-BPLDGKMQSA-N -1 1 367.371 2.599 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)OCCCOc2cccc(C#N)c2)c1 ZINC000821352215 1008449374 /nfs/dbraw/zinc/44/93/74/1008449374.db2.gz HJUVELYDRXRPQC-SANMLTNESA-N -1 1 373.430 2.687 20 30 FFEDMM N#CC1(CNC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCCC1 ZINC000822851750 1008789676 /nfs/dbraw/zinc/78/96/76/1008789676.db2.gz KILYUQZTKZZGBS-UHFFFAOYSA-N -1 1 374.407 2.561 20 30 FFEDMM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1c([O-])cccc1Cl)CC2 ZINC001274008277 1009246957 /nfs/dbraw/zinc/24/69/57/1009246957.db2.gz QTOXKSPMAVJXTD-ZDUSSCGKSA-N -1 1 362.857 2.980 20 30 FFEDMM C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CN1C(=O)OC(C)(C)C ZINC000863025438 1010079543 /nfs/dbraw/zinc/07/95/43/1010079543.db2.gz 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CC(C)(C)OC(=O)N1CCN(Cc2cccc([O-])c2Cl)C[C@H]1C#N ZINC001232788235 1036034988 /nfs/dbraw/zinc/03/49/88/1036034988.db2.gz KSPHVYFBGXHJIY-CYBMUJFWSA-N -1 1 351.834 2.990 20 30 FFEDMM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228556758 1036174972 /nfs/dbraw/zinc/17/49/72/1036174972.db2.gz RAIQBCLFLPRRBX-OAHLLOKOSA-N -1 1 364.470 2.882 20 30 FFEDMM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134171 1036514417 /nfs/dbraw/zinc/51/44/17/1036514417.db2.gz FGDIRTGKLUYUKO-AWEZNQCLSA-N -1 1 360.438 2.690 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](Oc2cc([O-])cc3oc(=O)ccc23)C[C@H]1C#N ZINC001229135632 1036516883 /nfs/dbraw/zinc/51/68/83/1036516883.db2.gz OSSLZIXETPWCEE-WCQYABFASA-N -1 1 372.377 2.779 20 30 FFEDMM O=C(/C=C/c1ccc(O)c(O)c1)c1ccc([O-])cc1OC[C@@H]1COC(=O)O1 ZINC001229586643 1036765469 /nfs/dbraw/zinc/76/54/69/1036765469.db2.gz IMYBEEHWRBEBOH-GJSZBTHVSA-N -1 1 372.329 2.614 20 30 FFEDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001234476206 1037052716 /nfs/dbraw/zinc/05/27/16/1037052716.db2.gz LPNNMSQPFNVWPN-MRXNPFEDSA-N -1 1 352.390 2.825 20 30 FFEDMM CC[C@H](O)C(=O)Oc1c(O)ccc(/C=C/C(=O)c2ccc([O-])cc2)c1OC ZINC001230155109 1037123862 /nfs/dbraw/zinc/12/38/62/1037123862.db2.gz XXTCCWTXVPDCDY-WGPYJDKQSA-N -1 1 372.373 2.679 20 30 FFEDMM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1c(F)cc([O-])cc1F ZINC001276558159 1038076779 /nfs/dbraw/zinc/07/67/79/1038076779.db2.gz REGRLKYVISJSOH-LJQANCHMSA-N -1 1 363.408 2.931 20 30 FFEDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1nc(C2CC2)no1 ZINC001209177378 1038699475 /nfs/dbraw/zinc/69/94/75/1038699475.db2.gz UJIAKXGJAFEGNR-HNNXBMFYSA-N -1 1 360.439 2.689 20 30 FFEDMM COc1ncc(-c2ncc(C#N)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC001244789223 1038776970 /nfs/dbraw/zinc/77/69/70/1038776970.db2.gz FUBYRMLWGRGEEN-UHFFFAOYSA-N -1 1 354.391 2.549 20 30 FFEDMM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)C(C)C ZINC001209778679 1039216380 /nfs/dbraw/zinc/21/63/80/1039216380.db2.gz AUFSNTJAIPTFIV-MRXNPFEDSA-N -1 1 374.422 2.846 20 30 FFEDMM CN1CCN(c2ccc(Nc3cccc(C(=O)[O-])c3F)cc2C#N)CC1 ZINC001210241115 1039442137 /nfs/dbraw/zinc/44/21/37/1039442137.db2.gz RCOHXKOXPCZRLB-UHFFFAOYSA-N -1 1 354.385 2.891 20 30 FFEDMM COC(=O)c1c(F)ccc(F)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417118 1039986164 /nfs/dbraw/zinc/98/61/64/1039986164.db2.gz AHDHVKDKTAXWLQ-UHFFFAOYSA-N -1 1 370.308 2.563 20 30 FFEDMM CCCCS(=O)(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001253787063 1040369562 /nfs/dbraw/zinc/36/95/62/1040369562.db2.gz RLPJTEGOFXNGBY-MHWRWJLKSA-N -1 1 366.468 2.763 20 30 FFEDMM C=CCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(=O)OC ZINC001213734986 1040855642 /nfs/dbraw/zinc/85/56/42/1040855642.db2.gz GGQDTRDFGIGLEL-SNVBAGLBSA-N -1 1 367.254 2.565 20 30 FFEDMM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)c1ccccc1 ZINC001261051315 1040961139 /nfs/dbraw/zinc/96/11/39/1040961139.db2.gz NRZGQEVGRUXIGY-SNVBAGLBSA-N -1 1 370.839 2.731 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)c2ccccn2)o1 ZINC001214077817 1041220937 /nfs/dbraw/zinc/22/09/37/1041220937.db2.gz KHLMVQJFKSLWQB-MRXNPFEDSA-N -1 1 367.430 2.851 20 30 FFEDMM N#Cc1nc(Cl)c([N-]c2c(F)cc(C3OCCO3)cc2F)nc1C#N ZINC001215434706 1041780726 /nfs/dbraw/zinc/78/07/26/1041780726.db2.gz TZUKHNCROBCVDQ-UHFFFAOYSA-N -1 1 363.711 2.941 20 30 FFEDMM COCn1cc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cn1 ZINC001216574336 1042064054 /nfs/dbraw/zinc/06/40/54/1042064054.db2.gz GJORSDNXULOJAI-REZTVBANSA-N -1 1 356.411 2.766 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC001538385618 1070423307 /nfs/dbraw/zinc/42/33/07/1070423307.db2.gz ISGRMELAIBICRB-UHFFFAOYSA-N -1 1 361.405 2.982 20 30 FFEDMM N#CCCN(CCC#N)Cc1cccc(I)c1[O-] ZINC001237784685 1043356680 /nfs/dbraw/zinc/35/66/80/1043356680.db2.gz WMKWLQBMZFXNCJ-UHFFFAOYSA-N -1 1 355.179 2.626 20 30 FFEDMM N#Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)nc1 ZINC001311055593 1043789468 /nfs/dbraw/zinc/78/94/68/1043789468.db2.gz BKZPPWWJHFFFDF-UHFFFAOYSA-N -1 1 350.378 2.786 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC001322286827 1046029304 /nfs/dbraw/zinc/02/93/04/1046029304.db2.gz TZSCVYOJXNZCPG-UHFFFAOYSA-N -1 1 369.446 2.789 20 30 FFEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001324441056 1046034274 /nfs/dbraw/zinc/03/42/74/1046034274.db2.gz QWEBYCTWWZNLNF-NEPJUHHUSA-N -1 1 364.236 2.600 20 30 FFEDMM C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001282807735 1046241156 /nfs/dbraw/zinc/24/11/56/1046241156.db2.gz GAGJOILTKYLEFC-AVYPCKFXSA-N -1 1 357.454 2.500 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001341755391 1050370971 /nfs/dbraw/zinc/37/09/71/1050370971.db2.gz FHZLIMVBOPOXGF-GFCCVEGCSA-N -1 1 365.869 2.544 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001342020038 1050616331 /nfs/dbraw/zinc/61/63/31/1050616331.db2.gz HGKXICDANVQLLL-KBXCAEBGSA-N -1 1 364.457 2.546 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001342020038 1050616339 /nfs/dbraw/zinc/61/63/39/1050616339.db2.gz HGKXICDANVQLLL-KBXCAEBGSA-N -1 1 364.457 2.546 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001340223068 1050630717 /nfs/dbraw/zinc/63/07/17/1050630717.db2.gz ARTZLOSTQQDVJH-OKILXGFUSA-N -1 1 352.442 2.596 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001342120523 1050715141 /nfs/dbraw/zinc/71/51/41/1050715141.db2.gz DNAUFPSKSCRDIL-HNNXBMFYSA-N -1 1 350.426 2.944 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001340540957 1050930231 /nfs/dbraw/zinc/93/02/31/1050930231.db2.gz XCUADIXBJPWZIV-HNNXBMFYSA-N -1 1 350.426 2.629 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)c1ccc(C#N)c([O-])c1 ZINC001304680663 1051669015 /nfs/dbraw/zinc/66/90/15/1051669015.db2.gz QTUROGSCHUIYPU-QRWLVFNGSA-N -1 1 371.437 2.783 20 30 FFEDMM C#CCN1CCC(NC(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC001306900884 1052216578 /nfs/dbraw/zinc/21/65/78/1052216578.db2.gz UMWNBIFDTLKKET-UHFFFAOYSA-N -1 1 371.662 2.636 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(CSC)CC1 ZINC001343420939 1052220670 /nfs/dbraw/zinc/22/06/70/1052220670.db2.gz YDGFDBRXRWJOMJ-UHFFFAOYSA-N -1 1 367.910 2.872 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2CCCC2)cc1Br ZINC001309052884 1052546177 /nfs/dbraw/zinc/54/61/77/1052546177.db2.gz WIQWRVRZRSPRSK-UHFFFAOYSA-N -1 1 361.236 2.928 20 30 FFEDMM C=C(C)C(C)(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-] ZINC001344499614 1052803372 /nfs/dbraw/zinc/80/33/72/1052803372.db2.gz LAWHJWDJDYKBLU-CABCVRRESA-N -1 1 359.470 2.746 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001356153094 1055337760 /nfs/dbraw/zinc/33/77/60/1055337760.db2.gz UNCLNYZPYKEPTB-SCLBCKFNSA-N -1 1 367.844 2.681 20 30 FFEDMM CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001339325532 1056331687 /nfs/dbraw/zinc/33/16/87/1056331687.db2.gz BGXCDTQKEKKLEP-CQSZACIVSA-N -1 1 372.860 2.501 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)Cc1ccccn1 ZINC001339498178 1056517222 /nfs/dbraw/zinc/51/72/22/1056517222.db2.gz OZFSASQLDSGFHF-UHFFFAOYSA-N -1 1 363.425 2.536 20 30 FFEDMM C=CCn1c([C@H]2C[C@@H]2C)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC001339580498 1056605674 /nfs/dbraw/zinc/60/56/74/1056605674.db2.gz HHNHOETUZIRXKS-QNWHQSFQSA-N -1 1 371.407 2.623 20 30 FFEDMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC001446051806 1058473296 /nfs/dbraw/zinc/47/32/96/1058473296.db2.gz WJRAOKAMEAUWPI-UHFFFAOYSA-N -1 1 355.325 2.810 20 30 FFEDMM C=CCC[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001514858654 1059127621 /nfs/dbraw/zinc/12/76/21/1059127621.db2.gz IMTMRFWYWHEIBW-ZDUSSCGKSA-N -1 1 354.472 2.927 20 30 FFEDMM C=CCC(CC=C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001515059952 1059273571 /nfs/dbraw/zinc/27/35/71/1059273571.db2.gz UTTAGNFYWUNIMJ-GOEBONIOSA-N -1 1 357.454 2.570 20 30 FFEDMM CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001455022549 1059671557 /nfs/dbraw/zinc/67/15/57/1059671557.db2.gz MTDFLIXKVLMDFZ-DOMZBBRYSA-N -1 1 365.396 2.627 20 30 FFEDMM N#C[C@]1(F)CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2CC2CC2)C1 ZINC001521154282 1060439068 /nfs/dbraw/zinc/43/90/68/1060439068.db2.gz XCTPIDWHXIUKCW-MRXNPFEDSA-N -1 1 362.796 2.551 20 30 FFEDMM Cc1csc([N-]C(=O)c2nc(S(C)(=O)=O)ccc2Cl)c1C#N ZINC001459927890 1060849248 /nfs/dbraw/zinc/84/92/48/1060849248.db2.gz YLFGKEWZBOWAAY-UHFFFAOYSA-N -1 1 355.828 2.632 20 30 FFEDMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(C#Cc2ccccc2)c1 ZINC001440871305 1063365980 /nfs/dbraw/zinc/36/59/80/1063365980.db2.gz IKDPZWNSBHTDLT-UHFFFAOYSA-N -1 1 371.396 2.556 20 30 FFEDMM CSc1nc(CNc2nccc(Oc3cccc(C#N)c3)n2)cc(=O)[n-]1 ZINC001472818535 1065152051 /nfs/dbraw/zinc/15/20/51/1065152051.db2.gz OUCSEFYLNAJKBN-UHFFFAOYSA-N -1 1 366.406 2.970 20 30 FFEDMM N#Cc1nc(NC(c2ccccc2)c2ccccc2)cnc1-c1nnn[n-]1 ZINC001581880138 1079012633 /nfs/dbraw/zinc/01/26/33/1079012633.db2.gz AJYBZQNSSFSTRS-UHFFFAOYSA-N -1 1 354.377 2.730 20 30 FFEDMM N#Cc1nc(NC(c2ccccc2)c2ccccc2)cnc1-c1nn[n-]n1 ZINC001581880138 1079012641 /nfs/dbraw/zinc/01/26/41/1079012641.db2.gz AJYBZQNSSFSTRS-UHFFFAOYSA-N -1 1 354.377 2.730 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2F)CCC1 ZINC001561664538 1076404525 /nfs/dbraw/zinc/40/45/25/1076404525.db2.gz CDNMCDHADYYCQZ-UHFFFAOYSA-N -1 1 365.199 2.699 20 30 FFEDMM Cc1cc(Br)c(C[N-]S(=O)(=O)c2cccnc2C#N)s1 ZINC001561762916 1076419378 /nfs/dbraw/zinc/41/93/78/1076419378.db2.gz ZYZAROPWRWFVFK-UHFFFAOYSA-N -1 1 372.269 2.564 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(=O)OCC ZINC001561828481 1076429565 /nfs/dbraw/zinc/42/95/65/1076429565.db2.gz PFVCLGZVLJMRFQ-ZDUSSCGKSA-N -1 1 351.896 2.951 20 30 FFEDMM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Cl)C(=O)OCC ZINC001561876424 1076438240 /nfs/dbraw/zinc/43/82/40/1076438240.db2.gz KPZDZCYRIMPHKE-AWEZNQCLSA-N -1 1 363.838 2.796 20 30 FFEDMM N#Cc1ccc(C(=O)Nc2n[nH]c3cnc(Br)cc32)cc1[O-] ZINC001586952398 1079709501 /nfs/dbraw/zinc/70/95/01/1079709501.db2.gz TXRTYSOOSVHVHS-UHFFFAOYSA-N -1 1 358.155 2.550 20 30 FFEDMM C=C[C@@H](O)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001587013960 1079720361 /nfs/dbraw/zinc/72/03/61/1079720361.db2.gz RDIMITLNEKMPEC-OAHLLOKOSA-N -1 1 366.826 2.626 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001588400777 1080010615 /nfs/dbraw/zinc/01/06/15/1080010615.db2.gz FUZKKRGHZNKKFO-TVQRCGJNSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001588400777 1080010624 /nfs/dbraw/zinc/01/06/24/1080010624.db2.gz FUZKKRGHZNKKFO-TVQRCGJNSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001588400532 1080011242 /nfs/dbraw/zinc/01/12/42/1080011242.db2.gz ALIKLZLYUIXATQ-OAHLLOKOSA-N -1 1 371.351 2.979 20 30 FFEDMM C=C(C)[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001588400532 1080011250 /nfs/dbraw/zinc/01/12/50/1080011250.db2.gz ALIKLZLYUIXATQ-OAHLLOKOSA-N -1 1 371.351 2.979 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCCC[C@@H](C)C1 ZINC001588437230 1080026550 /nfs/dbraw/zinc/02/65/50/1080026550.db2.gz ANLIOSWITDKLGX-CYBMUJFWSA-N -1 1 368.445 2.921 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCCC[C@@H](C)C1 ZINC001588437230 1080026561 /nfs/dbraw/zinc/02/65/61/1080026561.db2.gz ANLIOSWITDKLGX-CYBMUJFWSA-N -1 1 368.445 2.921 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001588438203 1080028878 /nfs/dbraw/zinc/02/88/78/1080028878.db2.gz NMAPMXFYXWDQOJ-GXTWGEPZSA-N -1 1 368.445 2.919 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001588438203 1080028887 /nfs/dbraw/zinc/02/88/87/1080028887.db2.gz NMAPMXFYXWDQOJ-GXTWGEPZSA-N -1 1 368.445 2.919 20 30 FFEDMM C=C[C@H](C(=O)[O-])N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001588664657 1080146429 /nfs/dbraw/zinc/14/64/29/1080146429.db2.gz STPMDCPUBJUAPL-LYFYHCNISA-N -1 1 353.209 2.728 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCC2Cc3ccccc3C2)o1 ZINC001589238012 1080439999 /nfs/dbraw/zinc/43/99/99/1080439999.db2.gz KMPZTXFZIUEKDE-UHFFFAOYSA-N -1 1 351.414 2.965 20 30 FFEDMM C[C@H](CCCC#C[Si](C)(C)C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589804624 1080761503 /nfs/dbraw/zinc/76/15/03/1080761503.db2.gz JFUSAWSBPOORJP-CQSZACIVSA-N -1 1 371.517 2.787 20 30 FFEDMM C[C@H](CCCC#C[Si](C)(C)C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589804624 1080761514 /nfs/dbraw/zinc/76/15/14/1080761514.db2.gz JFUSAWSBPOORJP-CQSZACIVSA-N -1 1 371.517 2.787 20 30 FFEDMM CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001590184632 1081074518 /nfs/dbraw/zinc/07/45/18/1081074518.db2.gz HTPGDZLFOKEKTA-CQSZACIVSA-N -1 1 373.453 2.993 20 30 FFEDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000065833292 221237459 /nfs/dbraw/zinc/23/74/59/221237459.db2.gz TYMXHZKMEUMXOT-UHFFFAOYSA-N -1 1 363.826 2.995 20 30 FFEDMM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000071845315 221382875 /nfs/dbraw/zinc/38/28/75/221382875.db2.gz UATUAVFYIQMMMB-LBPRGKRZSA-N -1 1 369.347 2.795 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000287887885 257126153 /nfs/dbraw/zinc/12/61/53/257126153.db2.gz REGWEAGTJOLVQE-DZGCQCFKSA-N -1 1 370.789 2.752 20 30 FFEDMM CC1CCC(N2C[C@H](C(=O)Nc3n[n-]c(C(F)(F)F)n3)CC2=O)CC1 ZINC000066827419 506654817 /nfs/dbraw/zinc/65/48/17/506654817.db2.gz PKLUQOHBKCFYSG-HWOCKDDLSA-N -1 1 359.352 2.839 20 30 FFEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nc(C)c(SCC#N)s2)c1 ZINC000055282502 506718280 /nfs/dbraw/zinc/71/82/80/506718280.db2.gz VSGDMIIHSJUZSY-UHFFFAOYSA-N -1 1 362.436 2.984 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)c(C)c1 ZINC000024578319 507420818 /nfs/dbraw/zinc/42/08/18/507420818.db2.gz KHGHLJGNBDPSLX-UHFFFAOYSA-N -1 1 367.434 2.744 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1 ZINC000024576273 507421135 /nfs/dbraw/zinc/42/11/35/507421135.db2.gz YRAJDYDZZZCPBS-UHFFFAOYSA-N -1 1 352.375 2.941 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCC#N)c2)cc1 ZINC000069648976 507529597 /nfs/dbraw/zinc/52/95/97/507529597.db2.gz GKMVTPFLPJEGPW-UHFFFAOYSA-N -1 1 357.435 2.782 20 30 FFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(F)c1 ZINC000071081466 507693863 /nfs/dbraw/zinc/69/38/63/507693863.db2.gz IWPYARMHFJEYHQ-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000030530833 507809892 /nfs/dbraw/zinc/80/98/92/507809892.db2.gz LGIHIIUMKVWQQH-UHFFFAOYSA-N -1 1 355.419 2.595 20 30 FFEDMM C=CC[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000101568164 508247769 /nfs/dbraw/zinc/24/77/69/508247769.db2.gz FYSROWIXVPVIKJ-UHFFFAOYSA-N -1 1 373.041 2.815 20 30 FFEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000076946992 508265743 /nfs/dbraw/zinc/26/57/43/508265743.db2.gz HULLEPSRFXTYKE-LLVKDONJSA-N -1 1 353.304 2.737 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)N(C)C)c1 ZINC000084477974 508280570 /nfs/dbraw/zinc/28/05/70/508280570.db2.gz LIUPWVRWUPCEKU-UHFFFAOYSA-N -1 1 361.398 2.508 20 30 FFEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(F)cc2C#N)o1 ZINC000121967131 508458955 /nfs/dbraw/zinc/45/89/55/508458955.db2.gz CXKGPFWSOPHGOG-CQSZACIVSA-N -1 1 352.387 2.519 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(S(C)(=O)=O)cs1 ZINC000129959226 508783822 /nfs/dbraw/zinc/78/38/22/508783822.db2.gz UJJAOEFPWZMRAJ-LLVKDONJSA-N -1 1 359.432 2.528 20 30 FFEDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(Cc2ccccc2)no1 ZINC000125715707 509020494 /nfs/dbraw/zinc/02/04/94/509020494.db2.gz AQSQHSYJIMJPNG-CYBMUJFWSA-N -1 1 368.418 2.572 20 30 FFEDMM CC#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000126499068 509088420 /nfs/dbraw/zinc/08/84/20/509088420.db2.gz ITDUQKKIHIMTGI-UHFFFAOYSA-N -1 1 372.446 2.639 20 30 FFEDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc21 ZINC000179025366 509229976 /nfs/dbraw/zinc/22/99/76/509229976.db2.gz NOKYPPQODJMHDV-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C#N)c3C)ccc21 ZINC000179029478 509231133 /nfs/dbraw/zinc/23/11/33/509231133.db2.gz FMNJGVXZGJMAPP-UHFFFAOYSA-N -1 1 355.419 2.577 20 30 FFEDMM Cc1nc(C)c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000183118928 509608653 /nfs/dbraw/zinc/60/86/53/509608653.db2.gz ORASWJMJSZJKIA-LLVKDONJSA-N -1 1 368.418 2.958 20 30 FFEDMM C[C@@H](C#N)CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184149357 510160528 /nfs/dbraw/zinc/16/05/28/510160528.db2.gz GJSJRZNKMUVHSN-ZDUSSCGKSA-N -1 1 358.423 2.769 20 30 FFEDMM N#CC(=C([O-])c1ccccc1SCC(N)=O)c1cnc2ccccc2n1 ZINC000190966520 510440117 /nfs/dbraw/zinc/44/01/17/510440117.db2.gz GPXGLPOPIQPAKF-CYBMUJFWSA-N -1 1 362.414 2.697 20 30 FFEDMM CSc1nc(C)c(CCC(=O)N2CCc3ccc(C#N)cc32)c(=O)[n-]1 ZINC000270235768 510728442 /nfs/dbraw/zinc/72/84/42/510728442.db2.gz NEDKSIGKZMUXMA-UHFFFAOYSA-N -1 1 354.435 2.606 20 30 FFEDMM Cc1nc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc2F)no1 ZINC000188411549 510753424 /nfs/dbraw/zinc/75/34/24/510753424.db2.gz LEZLMKJYDPNTCV-INIZCTEOSA-N -1 1 352.325 2.614 20 30 FFEDMM CC(C)[C@H](C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271326430 511164143 /nfs/dbraw/zinc/16/41/43/511164143.db2.gz VEOHXMWMNFEAHX-NSHDSACASA-N -1 1 359.304 2.781 20 30 FFEDMM CC1(C)C[C@@]1(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000292402814 511584080 /nfs/dbraw/zinc/58/40/80/511584080.db2.gz GLSNLXPPMSEETF-IBGZPJMESA-N -1 1 369.446 2.909 20 30 FFEDMM N#Cc1cc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1F ZINC000281228961 511767935 /nfs/dbraw/zinc/76/79/35/511767935.db2.gz BYCYRLLHOSSJOC-UHFFFAOYSA-N -1 1 372.322 2.620 20 30 FFEDMM C=CCNc1ncc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000366478640 512045187 /nfs/dbraw/zinc/04/51/87/512045187.db2.gz KNOQYCCVIIKTMY-UHFFFAOYSA-N -1 1 371.462 2.604 20 30 FFEDMM C[C@@H](C#N)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000359957377 512058992 /nfs/dbraw/zinc/05/89/92/512058992.db2.gz NMCUPLZQXYTOBV-KBXCAEBGSA-N -1 1 365.433 2.768 20 30 FFEDMM C#CCN(Cc1ccccc1)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000376198661 512705509 /nfs/dbraw/zinc/70/55/09/512705509.db2.gz KGQVBJJTWPWIQA-UHFFFAOYSA-N -1 1 372.428 2.757 20 30 FFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2C#N)o1 ZINC000433969430 513203059 /nfs/dbraw/zinc/20/30/59/513203059.db2.gz KHNJHQPCAOCSKY-UHFFFAOYSA-N -1 1 365.386 2.619 20 30 FFEDMM CC(C)([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000451029557 513469273 /nfs/dbraw/zinc/46/92/73/513469273.db2.gz GYYWGSPTKOZSSN-UHFFFAOYSA-N -1 1 371.178 2.940 20 30 FFEDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000436187907 513788551 /nfs/dbraw/zinc/78/85/51/513788551.db2.gz ZPOUZSOTFZSFAT-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM Cn1ccnc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000442903700 513811013 /nfs/dbraw/zinc/81/10/13/513811013.db2.gz TZHINIUTCYBUER-KRWDZBQOSA-N -1 1 350.353 2.656 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436546792 513892328 /nfs/dbraw/zinc/89/23/28/513892328.db2.gz VXPGDCCNNSCHSJ-OAHLLOKOSA-N -1 1 371.393 2.557 20 30 FFEDMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)c1 ZINC000431618586 513946122 /nfs/dbraw/zinc/94/61/22/513946122.db2.gz GLTUGPVQUBGPNH-HNNXBMFYSA-N -1 1 362.407 2.780 20 30 FFEDMM Cc1cnn(C)c1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000420237406 514057724 /nfs/dbraw/zinc/05/77/24/514057724.db2.gz QNZGCTCJKTYXRM-NSHDSACASA-N -1 1 367.434 2.808 20 30 FFEDMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427135586 514127238 /nfs/dbraw/zinc/12/72/38/514127238.db2.gz KAEQIDYVMRSFDB-UHFFFAOYSA-N -1 1 356.451 2.971 20 30 FFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(cc(C)c(=O)n2C)c1 ZINC000427355624 514193271 /nfs/dbraw/zinc/19/32/71/514193271.db2.gz VVOGABFAFHOHFL-UHFFFAOYSA-N -1 1 367.430 2.828 20 30 FFEDMM N#Cc1cnn(-c2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)c1N ZINC000445456407 514481945 /nfs/dbraw/zinc/48/19/45/514481945.db2.gz UNIMQYJJGPYGHX-UHFFFAOYSA-N -1 1 362.324 2.888 20 30 FFEDMM C=CCCC1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CC1 ZINC000476539595 515093657 /nfs/dbraw/zinc/09/36/57/515093657.db2.gz GCLHISTZRDOTST-UHFFFAOYSA-N -1 1 350.440 2.518 20 30 FFEDMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)n1 ZINC000510020809 515405176 /nfs/dbraw/zinc/40/51/76/515405176.db2.gz OAIGPWSOHROSDM-OAHLLOKOSA-N -1 1 356.382 2.500 20 30 FFEDMM Cc1cnc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000473567732 515666051 /nfs/dbraw/zinc/66/60/51/515666051.db2.gz CKZZQWQGDMNXAK-INIZCTEOSA-N -1 1 370.840 2.772 20 30 FFEDMM Cc1cn(-c2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2)c(=O)[nH]1 ZINC000478678985 515920752 /nfs/dbraw/zinc/92/07/52/515920752.db2.gz IVPOEAMYZPILHX-UHFFFAOYSA-N -1 1 368.418 2.867 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000511736546 516016510 /nfs/dbraw/zinc/01/65/10/516016510.db2.gz HLTLURCMBHAOAG-UHFFFAOYSA-N -1 1 364.379 2.969 20 30 FFEDMM N#CCN(C(=O)CSc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000519234709 516933427 /nfs/dbraw/zinc/93/34/27/516933427.db2.gz IVPVMXLKNWUVIV-UHFFFAOYSA-N -1 1 350.350 2.769 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)ccc(F)c1C(=O)[O-] ZINC000548525710 517035991 /nfs/dbraw/zinc/03/59/91/517035991.db2.gz CJWQBVBQDUABNT-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000537125881 517048829 /nfs/dbraw/zinc/04/88/29/517048829.db2.gz KYBWAFBFKVVMFN-LJQANCHMSA-N -1 1 357.417 2.619 20 30 FFEDMM CCc1[n-][nH]c(=NC(=O)c2cc(C#N)ccc2Cl)c1Br ZINC000552280295 517175658 /nfs/dbraw/zinc/17/56/58/517175658.db2.gz CDYXKAIYQCQSKS-UHFFFAOYSA-N -1 1 353.607 2.934 20 30 FFEDMM CCOc1cc(C(=O)NCC(=O)c2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC000552670685 517342137 /nfs/dbraw/zinc/34/21/37/517342137.db2.gz YHJNDCKQLWSSCD-UHFFFAOYSA-N -1 1 358.781 2.929 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)C#N)c2)c1 ZINC000520360201 517359383 /nfs/dbraw/zinc/35/93/83/517359383.db2.gz DPBDHVUAZWGNJQ-AWEZNQCLSA-N -1 1 371.462 2.994 20 30 FFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(F)c1 ZINC000530284681 517680657 /nfs/dbraw/zinc/68/06/57/517680657.db2.gz POGCHYQABRLGEI-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1OCc1ccccc1 ZINC000553523361 517759580 /nfs/dbraw/zinc/75/95/80/517759580.db2.gz FIEFDCQDDSIDJH-CVEARBPZSA-N -1 1 360.435 2.813 20 30 FFEDMM COCCn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(C)n1 ZINC000542952379 517836234 /nfs/dbraw/zinc/83/62/34/517836234.db2.gz WTOLGDTZQHUZEQ-LBPRGKRZSA-N -1 1 352.316 2.742 20 30 FFEDMM C[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553761846 517889063 /nfs/dbraw/zinc/88/90/63/517889063.db2.gz OBPSZGADTOANCW-JTQLQIEISA-N -1 1 369.240 2.823 20 30 FFEDMM COc1cccc(-c2nsc(NC([O-])=Cc3cccc(C#N)c3)n2)c1 ZINC000530919002 518051815 /nfs/dbraw/zinc/05/18/15/518051815.db2.gz XVOAJPQYWZFAQV-UHFFFAOYSA-N -1 1 350.403 2.688 20 30 FFEDMM Cc1cc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)cn2)nc(C)n1 ZINC000566895052 518251315 /nfs/dbraw/zinc/25/13/15/518251315.db2.gz JWEJAYOOUWATBV-LBPRGKRZSA-N -1 1 350.300 2.920 20 30 FFEDMM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(C(N)=O)ccc3F)on2)c1 ZINC000569914353 518353051 /nfs/dbraw/zinc/35/30/51/518353051.db2.gz FZXNBEZKWMCLNS-UHFFFAOYSA-N -1 1 350.309 2.704 20 30 FFEDMM CC#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000581747760 518437510 /nfs/dbraw/zinc/43/75/10/518437510.db2.gz YTNPBPBLSCKMPK-UHFFFAOYSA-N -1 1 360.410 2.722 20 30 FFEDMM CC#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000568131192 518889185 /nfs/dbraw/zinc/88/91/85/518889185.db2.gz QYAOASTVJFKEEC-UHFFFAOYSA-N -1 1 356.447 2.891 20 30 FFEDMM Cn1ccnc1[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1F ZINC000589166618 518936185 /nfs/dbraw/zinc/93/61/85/518936185.db2.gz WCLHNRSFGBBZQK-KRWDZBQOSA-N -1 1 350.353 2.656 20 30 FFEDMM COc1cc2c(cc1OC)CCN(C(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000589170855 518938577 /nfs/dbraw/zinc/93/85/77/518938577.db2.gz ASIRITGJVJVVDK-UHFFFAOYSA-N -1 1 352.390 2.522 20 30 FFEDMM C=CCc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)cc(OC)c1OC ZINC000589174298 518940025 /nfs/dbraw/zinc/94/00/25/518940025.db2.gz XTWSQWNFVHDTKG-UHFFFAOYSA-N -1 1 352.390 2.940 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1[O-] ZINC000582996649 519024576 /nfs/dbraw/zinc/02/45/76/519024576.db2.gz RQGGXTVEUKZPRV-GDBMZVCRSA-N -1 1 368.393 2.866 20 30 FFEDMM CCOC(=O)c1sc([N-]C(=O)c2ncn(C(C)(C)C)n2)c(C#N)c1C ZINC000589742634 519074591 /nfs/dbraw/zinc/07/45/91/519074591.db2.gz XTVUHEVEEWSRPE-UHFFFAOYSA-N -1 1 361.427 2.704 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)CCCCC1 ZINC000589926275 519106140 /nfs/dbraw/zinc/10/61/40/519106140.db2.gz SSUHMIODJWRVQB-UHFFFAOYSA-N -1 1 374.413 2.780 20 30 FFEDMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(F)c(C#N)c2)n[n-]1 ZINC000590537571 519257898 /nfs/dbraw/zinc/25/78/98/519257898.db2.gz OHKSQLGMPPGXKH-AWEZNQCLSA-N -1 1 373.388 2.509 20 30 FFEDMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(F)c(C#N)c2)[n-]1 ZINC000590537571 519257901 /nfs/dbraw/zinc/25/79/01/519257901.db2.gz OHKSQLGMPPGXKH-AWEZNQCLSA-N -1 1 373.388 2.509 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ccc(F)c(C#N)c2)n1 ZINC000590537571 519257905 /nfs/dbraw/zinc/25/79/05/519257905.db2.gz OHKSQLGMPPGXKH-AWEZNQCLSA-N -1 1 373.388 2.509 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)cc1C#N ZINC000580612403 519262948 /nfs/dbraw/zinc/26/29/48/519262948.db2.gz VWZOSBDWWNTXEM-UHFFFAOYSA-N -1 1 359.455 2.908 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)c(C#N)cc1N(C)C ZINC000578012706 519372327 /nfs/dbraw/zinc/37/23/27/519372327.db2.gz VOGMCHYFGMXROZ-UHFFFAOYSA-N -1 1 368.462 2.941 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612369273 519924477 /nfs/dbraw/zinc/92/44/77/519924477.db2.gz QZQRPTPRPZSOFQ-FQEVSTJZSA-N -1 1 365.437 2.638 20 30 FFEDMM C=CCSc1ccccc1C(=O)N[C@@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC000603152730 520114174 /nfs/dbraw/zinc/11/41/74/520114174.db2.gz FCLPCQRRGXVZTL-NSHDSACASA-N -1 1 360.439 2.751 20 30 FFEDMM C=CCSc1ccccc1C(=O)N[C@@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC000603152730 520114180 /nfs/dbraw/zinc/11/41/80/520114180.db2.gz FCLPCQRRGXVZTL-NSHDSACASA-N -1 1 360.439 2.751 20 30 FFEDMM C=CCSc1ccccc1C(=O)N[C@@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000603152730 520114187 /nfs/dbraw/zinc/11/41/87/520114187.db2.gz FCLPCQRRGXVZTL-NSHDSACASA-N -1 1 360.439 2.751 20 30 FFEDMM C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000597618048 520138971 /nfs/dbraw/zinc/13/89/71/520138971.db2.gz YVWIFZQUWFNZLB-IBGZPJMESA-N -1 1 373.497 2.597 20 30 FFEDMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)c(F)c1 ZINC000608858258 520146915 /nfs/dbraw/zinc/14/69/15/520146915.db2.gz NGFGPDDUXIWOGZ-JTQLQIEISA-N -1 1 352.362 2.885 20 30 FFEDMM COC(=O)c1cnc(C2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)s1 ZINC000600275846 520173802 /nfs/dbraw/zinc/17/38/02/520173802.db2.gz LRGLVHPRKIWNLU-UHFFFAOYSA-N -1 1 371.418 2.527 20 30 FFEDMM C[C@@H](C#N)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000609921474 520482006 /nfs/dbraw/zinc/48/20/06/520482006.db2.gz ZXCIEECQEBJLKW-AWEZNQCLSA-N -1 1 357.435 2.605 20 30 FFEDMM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000610123758 520548903 /nfs/dbraw/zinc/54/89/03/520548903.db2.gz WZYMGYAOVNUOGF-UHFFFAOYSA-N -1 1 374.418 2.609 20 30 FFEDMM CC(C)([N-]S(=O)(=O)c1ccsc1C#N)c1cc(C(F)(F)F)on1 ZINC000593597058 521099791 /nfs/dbraw/zinc/09/97/91/521099791.db2.gz GPEKYUHYCJWRGS-UHFFFAOYSA-N -1 1 365.358 2.840 20 30 FFEDMM N#CC1(CNC(=O)c2ccc(I)c([O-])c2)CCCC1 ZINC000593774403 521205786 /nfs/dbraw/zinc/20/57/86/521205786.db2.gz ZSQHHNMEZGFQEN-UHFFFAOYSA-N -1 1 370.190 2.811 20 30 FFEDMM N#C[C@]1(F)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000615608707 521470320 /nfs/dbraw/zinc/47/03/20/521470320.db2.gz SXPNRSFJGBATAW-GOSISDBHSA-N -1 1 373.409 2.565 20 30 FFEDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc21 ZINC000619462345 521581486 /nfs/dbraw/zinc/58/14/86/521581486.db2.gz IBSFIQJWKRTDMX-UHFFFAOYSA-N -1 1 369.446 2.853 20 30 FFEDMM Cc1c([N-]S(=O)(=O)c2cccc(CC#N)c2)cccc1NC(=O)N(C)C ZINC000619464015 521583064 /nfs/dbraw/zinc/58/30/64/521583064.db2.gz DEARWTSASAFWBK-UHFFFAOYSA-N -1 1 372.450 2.955 20 30 FFEDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000619467884 521583430 /nfs/dbraw/zinc/58/34/30/521583430.db2.gz KUXRWSYDQBVCCQ-UHFFFAOYSA-N -1 1 367.770 2.929 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCOc3cc(C)c(C)cc32)o1 ZINC000737468084 598862036 /nfs/dbraw/zinc/86/20/36/598862036.db2.gz YEJSTRWEKZPQTL-UHFFFAOYSA-N -1 1 353.386 2.769 20 30 FFEDMM C=CCC[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C1CC1 ZINC000823894522 607779746 /nfs/dbraw/zinc/77/97/46/607779746.db2.gz SCKNIPORLZGCEM-OAHLLOKOSA-N -1 1 371.441 2.805 20 30 FFEDMM C#CCCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819693312 599468275 /nfs/dbraw/zinc/46/82/75/599468275.db2.gz PUAXGJRHHXGUPV-UHFFFAOYSA-N -1 1 366.450 2.808 20 30 FFEDMM COCCOc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000831767338 601497930 /nfs/dbraw/zinc/49/79/30/601497930.db2.gz LCDYGNCVMFTLFZ-LJQANCHMSA-N -1 1 354.406 2.807 20 30 FFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000827217716 601509090 /nfs/dbraw/zinc/50/90/90/601509090.db2.gz IMHCGIHHVXBIJO-MCIONIFRSA-N -1 1 361.467 2.672 20 30 FFEDMM Cc1cc(N(CCC#N)C(=O)CN2CC[C@@](C)(C(=O)[O-])C2)ccc1Cl ZINC000832888171 601931015 /nfs/dbraw/zinc/93/10/15/601931015.db2.gz FRDJVVMLOPEZBL-GOSISDBHSA-N -1 1 363.845 2.692 20 30 FFEDMM N#Cc1ccc(O)c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[O-])c1 ZINC000833978054 605970429 /nfs/dbraw/zinc/97/04/29/605970429.db2.gz YHVOLNXWNKZVOR-INIZCTEOSA-N -1 1 364.361 2.563 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc([S@](C)=O)cc2)o1 ZINC000819783465 606033107 /nfs/dbraw/zinc/03/31/07/606033107.db2.gz XWWNAMVSFVZWNL-SANMLTNESA-N -1 1 373.442 2.552 20 30 FFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cnn1-c1ccccn1 ZINC000822015735 606392317 /nfs/dbraw/zinc/39/23/17/606392317.db2.gz NXSBCNBZKFOTJC-ALCCZGGFSA-N -1 1 363.406 2.713 20 30 FFEDMM Cc1cc(C)n(N=Cc2ccc(CC(C)C)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822198950 606702544 /nfs/dbraw/zinc/70/25/44/606702544.db2.gz PRHIUNOFJWUEOF-UHFFFAOYSA-N -1 1 350.426 2.726 20 30 FFEDMM Cc1cc(C)n(N=CCc2ccc(C(C)C)cc2)c(=O)c1-c1nn[n-]n1 ZINC000826265240 608016380 /nfs/dbraw/zinc/01/63/80/608016380.db2.gz RESZESVWGQYQJN-UHFFFAOYSA-N -1 1 350.426 2.845 20 30 FFEDMM CCc1cccnc1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000825728694 609517073 /nfs/dbraw/zinc/51/70/73/609517073.db2.gz WLRYXIAWLBJTHI-UHFFFAOYSA-N -1 1 354.418 2.847 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)nc1 ZINC000618601710 676345545 /nfs/dbraw/zinc/34/55/45/676345545.db2.gz XZRKZMAYAIUOFC-UHFFFAOYSA-N -1 1 357.313 2.794 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1N1CCOC1=O ZINC000746056418 735460253 /nfs/dbraw/zinc/46/02/53/735460253.db2.gz ILYZJSCIDWIARU-UHFFFAOYSA-N -1 1 357.391 2.624 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(Cl)s2)cc1 ZINC000746491303 735487726 /nfs/dbraw/zinc/48/77/26/735487726.db2.gz AQGKFCKPAINKNU-UHFFFAOYSA-N -1 1 359.816 2.763 20 30 FFEDMM CC(C)OCCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000069833477 728202287 /nfs/dbraw/zinc/20/22/87/728202287.db2.gz HDVNKTDWXVQZBW-GFCCVEGCSA-N -1 1 359.451 2.855 20 30 FFEDMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000172504530 729027084 /nfs/dbraw/zinc/02/70/84/729027084.db2.gz NDPHTFDIMHKGBG-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM C#Cc1cccc(NC(=O)CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000179146598 729179031 /nfs/dbraw/zinc/17/90/31/729179031.db2.gz BUMORNOZLAJLQB-UHFFFAOYSA-N -1 1 373.206 2.505 20 30 FFEDMM C=C(C)CN(CC)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000643087347 730279913 /nfs/dbraw/zinc/27/99/13/730279913.db2.gz PCXZRVPMSFBLHL-UHFFFAOYSA-N -1 1 365.282 2.696 20 30 FFEDMM COCC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000857620615 730402438 /nfs/dbraw/zinc/40/24/38/730402438.db2.gz LBQGYHDQRTYSKY-ZDUSSCGKSA-N -1 1 361.186 2.976 20 30 FFEDMM O=C([N-]CCCC(F)(F)F)C(F)(F)C(=O)NCCCC(F)(F)F ZINC000865945485 731013960 /nfs/dbraw/zinc/01/39/60/731013960.db2.gz DNYCBFMUNTWTAU-UHFFFAOYSA-N -1 1 358.229 2.539 20 30 FFEDMM N#CCCC[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccccc1 ZINC000867304596 731168164 /nfs/dbraw/zinc/16/81/64/731168164.db2.gz OJLYASWXMUEFSC-OAHLLOKOSA-N -1 1 355.485 2.518 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000870160396 731476327 /nfs/dbraw/zinc/47/63/27/731476327.db2.gz MSLBMCODOXOJSW-UHFFFAOYSA-N -1 1 355.825 2.875 20 30 FFEDMM N#Cc1cc(F)c([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)cc1F ZINC000872007211 731717734 /nfs/dbraw/zinc/71/77/34/731717734.db2.gz KWDHEKRAOYPYRO-UHFFFAOYSA-N -1 1 352.366 2.949 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC(c2cccc(F)c2)C1 ZINC000781593325 738639264 /nfs/dbraw/zinc/63/92/64/738639264.db2.gz WIEOBBQFCCMMAZ-UHFFFAOYSA-N -1 1 363.370 2.946 20 30 FFEDMM C#CCC1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCOCC1 ZINC000885836957 733716280 /nfs/dbraw/zinc/71/62/80/733716280.db2.gz LMKQYACDKPZQKU-UHFFFAOYSA-N -1 1 354.280 2.906 20 30 FFEDMM C#CCSCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000892424471 734557904 /nfs/dbraw/zinc/55/79/04/734557904.db2.gz OQSAEJQRMNTYNB-NSHDSACASA-N -1 1 357.460 2.818 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000730996254 734661361 /nfs/dbraw/zinc/66/13/61/734661361.db2.gz JSUOADXCNBBAOT-UHFFFAOYSA-N -1 1 359.403 2.661 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(-c2cccs2)cc1 ZINC000731154552 734668597 /nfs/dbraw/zinc/66/85/97/734668597.db2.gz RIVZLDXBVPVBNB-UHFFFAOYSA-N -1 1 350.407 2.997 20 30 FFEDMM COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(OC(F)F)c1 ZINC000734096725 734874069 /nfs/dbraw/zinc/87/40/69/734874069.db2.gz QVLSCSHUPOBVIY-VOKGJARPSA-N -1 1 352.289 2.525 20 30 FFEDMM C#CCOc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000734151942 734877443 /nfs/dbraw/zinc/87/74/43/734877443.db2.gz MGLDZEHTFZUMGE-UHFFFAOYSA-N -1 1 355.337 2.594 20 30 FFEDMM COc1ccc(C)cc1C(C)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748255266 735630663 /nfs/dbraw/zinc/63/06/63/735630663.db2.gz UBPNZNABAKIERK-UHFFFAOYSA-N -1 1 363.395 2.614 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc([S@](=O)C(F)(F)F)cc2)c1 ZINC000748675884 735663804 /nfs/dbraw/zinc/66/38/04/735663804.db2.gz WVZRIYZKYLOTAX-QHCPKHFHSA-N -1 1 374.365 2.986 20 30 FFEDMM CC(Cc1nc2ccccc2s1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000749159186 735699258 /nfs/dbraw/zinc/69/92/58/735699258.db2.gz YIUOGNRVTMISMS-UHFFFAOYSA-N -1 1 370.459 2.953 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCc2c1c(F)ccc2F ZINC000749622311 735735528 /nfs/dbraw/zinc/73/55/28/735735528.db2.gz UZMQAUQXHCUSNX-UHFFFAOYSA-N -1 1 367.333 2.502 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)ccc1N1CCSCC1 ZINC000751278425 735860989 /nfs/dbraw/zinc/86/09/89/735860989.db2.gz FENPSSRBDPPCLR-UHFFFAOYSA-N -1 1 374.491 2.616 20 30 FFEDMM COc1ccc(CNN=Cc2cc(O)c([O-])c(Br)c2)cc1 ZINC000757577526 736411520 /nfs/dbraw/zinc/41/15/20/736411520.db2.gz RTCKVFGQQSWANE-UHFFFAOYSA-N -1 1 351.200 2.993 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(F)(F)F)c1 ZINC000758167449 736458037 /nfs/dbraw/zinc/45/80/37/736458037.db2.gz ZXTBQSPFLJQAFW-CQSZACIVSA-N -1 1 356.325 2.955 20 30 FFEDMM Cc1cc(C)c(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)[nH]1 ZINC000760232885 736623640 /nfs/dbraw/zinc/62/36/40/736623640.db2.gz ACZJXEGTTZWRIN-OAHLLOKOSA-N -1 1 355.423 2.906 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000908753752 736827410 /nfs/dbraw/zinc/82/74/10/736827410.db2.gz PFIIFNLAFXIXLZ-JKSUJKDBSA-N -1 1 351.422 2.537 20 30 FFEDMM COc1cc(Br)cc(C=NNc2ccc(C(=O)[O-])cn2)c1O ZINC000763369465 736932141 /nfs/dbraw/zinc/93/21/41/736932141.db2.gz WUFOCVZAAXLLQM-UHFFFAOYSA-N -1 1 366.171 2.703 20 30 FFEDMM COc1nccnc1N=NC(C)c1cc(Br)cc(F)c1[O-] ZINC000763408790 736936205 /nfs/dbraw/zinc/93/62/05/736936205.db2.gz SFGQCJIPSSRFDI-UHFFFAOYSA-N -1 1 355.167 2.929 20 30 FFEDMM C=C(Br)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764766006 737047476 /nfs/dbraw/zinc/04/74/76/737047476.db2.gz FALLIMDEHBARQS-UHFFFAOYSA-N -1 1 364.037 2.863 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1C#N ZINC000766546397 737240187 /nfs/dbraw/zinc/24/01/87/737240187.db2.gz FAOUHLXEHAFYRY-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000766571889 737243781 /nfs/dbraw/zinc/24/37/81/737243781.db2.gz VZSPOXUAHVAKEW-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000769834445 737571965 /nfs/dbraw/zinc/57/19/65/737571965.db2.gz PTIQPXGIWANORK-DHZHZOJOSA-N -1 1 356.403 2.854 20 30 FFEDMM N#Cc1ccnc(SCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1 ZINC000915795222 737656188 /nfs/dbraw/zinc/65/61/88/737656188.db2.gz DIQGXORHEOQZNQ-UHFFFAOYSA-N -1 1 363.345 2.603 20 30 FFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916004949 737670360 /nfs/dbraw/zinc/67/03/60/737670360.db2.gz YTYTULXSUPYNDN-YTEVENLXSA-N -1 1 368.402 2.670 20 30 FFEDMM Cn1c(=O)sc2cc(/C=C\C(=O)c3cc(C(=O)[O-])ccc3O)ccc21 ZINC000773144129 737874845 /nfs/dbraw/zinc/87/48/45/737874845.db2.gz YNDZHCMYDQAGIB-UTCJRWHESA-N -1 1 355.371 2.900 20 30 FFEDMM O=C1Nc2ccc(Br)c(Cl)c2C1=N[N-]c1cnccn1 ZINC000788015515 739197376 /nfs/dbraw/zinc/19/73/76/739197376.db2.gz KSSNDDQZHQMIDP-UHFFFAOYSA-N -1 1 352.579 2.661 20 30 FFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793406600 739778083 /nfs/dbraw/zinc/77/80/83/739778083.db2.gz CSTVCCMHRDWSNL-UHFFFAOYSA-N -1 1 363.366 2.645 20 30 FFEDMM COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000794594952 739908876 /nfs/dbraw/zinc/90/88/76/739908876.db2.gz DDVYUWIXQGQVQO-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000797842322 740279675 /nfs/dbraw/zinc/27/96/75/740279675.db2.gz YMUQOIGJGKHOAW-MWLCHTKSSA-N -1 1 351.255 2.648 20 30 FFEDMM C=C(COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)OCC ZINC000801375969 740614983 /nfs/dbraw/zinc/61/49/83/740614983.db2.gz UWLFOZIOWATXEF-UHFFFAOYSA-N -1 1 350.758 2.507 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2F)o1 ZINC000804992728 740924142 /nfs/dbraw/zinc/92/41/42/740924142.db2.gz GCAVWPNTOSFZNU-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)CCSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000809987095 741370456 /nfs/dbraw/zinc/37/04/56/741370456.db2.gz QYOUTOYXERSNPO-UHFFFAOYSA-N -1 1 371.390 2.557 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=C2COc3cc(Br)c(F)cc32)n1 ZINC000814681977 741857065 /nfs/dbraw/zinc/85/70/65/741857065.db2.gz CQSNJLSGLDRQQL-UHFFFAOYSA-N -1 1 353.151 2.601 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCOc3c(Cl)cccc32)c2ccccc21 ZINC000814798461 741866112 /nfs/dbraw/zinc/86/61/12/741866112.db2.gz GGMWTKXJYFAFIO-UHFFFAOYSA-N -1 1 361.810 2.565 20 30 FFEDMM CC(Cc1ccc(F)cc1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000814863162 741870778 /nfs/dbraw/zinc/87/07/78/741870778.db2.gz BLSWNIXIDVGXMX-UHFFFAOYSA-N -1 1 351.359 2.631 20 30 FFEDMM CCn1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000815908832 741972453 /nfs/dbraw/zinc/97/24/53/741972453.db2.gz KGMWAVCZSLXWRX-SNVBAGLBSA-N -1 1 366.208 2.874 20 30 FFEDMM C=CCn1cc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])nn1 ZINC000818347717 742265385 /nfs/dbraw/zinc/26/53/85/742265385.db2.gz UFYIAZFYBQDLRS-VIFPVBQESA-N -1 1 355.211 2.922 20 30 FFEDMM C=CCO[N-]C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000837047849 746355931 /nfs/dbraw/zinc/35/59/31/746355931.db2.gz JOJIZTVCWOPFPH-HIFRSBDPSA-N -1 1 356.344 2.849 20 30 FFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](CC)CC#N)c(F)cc1Cl ZINC000841513516 747378216 /nfs/dbraw/zinc/37/82/16/747378216.db2.gz PGLOOEZAXTYEFI-SECBINFHSA-N -1 1 362.810 2.626 20 30 FFEDMM C[C@@H]1CCCC[C@H]1NC(=S)NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844565375 748052452 /nfs/dbraw/zinc/05/24/52/748052452.db2.gz GBIIJAVGTNLMGF-IAQYHMDHSA-N -1 1 357.483 2.742 20 30 FFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000844825288 748108796 /nfs/dbraw/zinc/10/87/96/748108796.db2.gz JUKKFASJJCFKAQ-SECBINFHSA-N -1 1 366.668 2.714 20 30 FFEDMM CCC(Nc1ccc(C#N)cc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000009769034 845007557 /nfs/dbraw/zinc/00/75/57/845007557.db2.gz FHNUQLAETNIUNI-PFONDFGASA-N -1 1 356.451 2.534 20 30 FFEDMM Cc1nc(NC(=O)c2ccc(C#N)c(C)n2)sc1-c1n[n-]c(=S)n1C ZINC000192788148 845742632 /nfs/dbraw/zinc/74/26/32/845742632.db2.gz FAXRFCQTMDHZOT-UHFFFAOYSA-N -1 1 371.451 2.737 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC#N)c2)cc1F ZINC000490673411 845920912 /nfs/dbraw/zinc/92/09/12/845920912.db2.gz MAEBYNRLYMYVKG-UHFFFAOYSA-N -1 1 361.398 2.578 20 30 FFEDMM C=C1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC001573295285 947014386 /nfs/dbraw/zinc/01/43/86/947014386.db2.gz CQFKLZQLNVFUQS-UHFFFAOYSA-N -1 1 351.341 2.810 20 30 FFEDMM C=C1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC001573295285 947014395 /nfs/dbraw/zinc/01/43/95/947014395.db2.gz CQFKLZQLNVFUQS-UHFFFAOYSA-N -1 1 351.341 2.810 20 30 FFEDMM C=CCc1cc(OC)ccc1OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001573348410 947584430 /nfs/dbraw/zinc/58/44/30/947584430.db2.gz QFKPLKNOLSHCAX-UHFFFAOYSA-N -1 1 371.784 2.871 20 30 FFEDMM Cc1cc(C)n(N=CCCc2c(F)cccc2Cl)c(=O)c1-c1nn[n-]n1 ZINC000826265010 947764220 /nfs/dbraw/zinc/76/42/20/947764220.db2.gz JIVZKRZMHKBVOL-UHFFFAOYSA-N -1 1 374.807 2.904 20 30 FFEDMM Cc1nc(-c2ccc(N3CCC4(CC3)CC(=O)C=CO4)nc2)[n-]c(=O)c1C ZINC000896880706 971982070 /nfs/dbraw/zinc/98/20/70/971982070.db2.gz LWFJRUFCVZMFPK-UHFFFAOYSA-N -1 1 366.421 2.703 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2c(Cl)n(C)nc2-c2ccccc2)c(=O)o1 ZINC000255892919 969499126 /nfs/dbraw/zinc/49/91/26/969499126.db2.gz UJBZDAKIPGGOOP-HLRDLLSLSA-N -1 1 370.792 2.969 20 30 FFEDMM C[C@H](CN1CCN(c2ccccc2)CC1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000125138736 1013886277 /nfs/dbraw/zinc/88/62/77/1013886277.db2.gz LUCCSVDBLGTABL-ZFMLPXDISA-N -1 1 368.437 2.930 20 30 FFEDMM COCc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392974 975093707 /nfs/dbraw/zinc/09/37/07/975093707.db2.gz JAXVPIKWIKOVPY-MRXNPFEDSA-N -1 1 374.404 2.834 20 30 FFEDMM N#Cc1c2c(cnc1NC1([P@@](=O)([O-])O)Cc3ccccc3C1)CCC2 ZINC001167935433 978189510 /nfs/dbraw/zinc/18/95/10/978189510.db2.gz OPTZXRVCPSZDJL-UHFFFAOYSA-N -1 1 355.334 2.527 20 30 FFEDMM Cc1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc(C)c1C#N ZINC000908284163 981406731 /nfs/dbraw/zinc/40/67/31/981406731.db2.gz ASRHQRPTVXMJQC-ZDUSSCGKSA-N -1 1 367.371 2.706 20 30 FFEDMM C=C(C)Cn1c(N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)nnc1C(C)(C)C ZINC000909229596 981659549 /nfs/dbraw/zinc/65/95/49/981659549.db2.gz PCBDOVQQGZBEKT-CYBMUJFWSA-N -1 1 372.473 2.997 20 30 FFEDMM COc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc([N+](=O)[O-])c1O ZINC000915106973 988232192 /nfs/dbraw/zinc/23/21/92/988232192.db2.gz YXGKLBHCFWLSPX-DAXSKMNVSA-N -1 1 357.318 2.832 20 30 FFEDMM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(O)c(CN3CCOCC3)c2)cc1 ZINC000916130098 989744191 /nfs/dbraw/zinc/74/41/91/989744191.db2.gz HYCFSVZAPJEPOZ-CLTKARDFSA-N -1 1 367.401 2.819 20 30 FFEDMM CCN(CC)C(=O)COc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000916241661 989766324 /nfs/dbraw/zinc/76/63/24/989766324.db2.gz OFNAOJCWLYXOPT-UHFFFAOYSA-N -1 1 371.441 2.574 20 30 FFEDMM O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1ccc([O-])c(Cl)c1 ZINC000921255819 991021522 /nfs/dbraw/zinc/02/15/22/991021522.db2.gz AMGRIFQKCDVXCY-UHFFFAOYSA-N -1 1 365.780 2.823 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000740065997 991630807 /nfs/dbraw/zinc/63/08/07/991630807.db2.gz GTPZCWHTOKJEBX-IRXDYDNUSA-N -1 1 372.469 2.528 20 30 FFEDMM C#C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000185333594 993287810 /nfs/dbraw/zinc/28/78/10/993287810.db2.gz DPHMCFYLCJEUBP-AWEZNQCLSA-N -1 1 372.446 2.638 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809670940 994577464 /nfs/dbraw/zinc/57/74/64/994577464.db2.gz SPAUMJFRKCOEIM-CYBMUJFWSA-N -1 1 359.426 2.641 20 30 FFEDMM CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000809783154 994613077 /nfs/dbraw/zinc/61/30/77/994613077.db2.gz SNCVNIZHDGSOTC-UHFFFAOYSA-N -1 1 357.410 2.561 20 30 FFEDMM CCCCCOc1ccc(C(C)=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000731155317 997718267 /nfs/dbraw/zinc/71/82/67/997718267.db2.gz XUQLBZRANJBMCI-UHFFFAOYSA-N -1 1 354.414 2.837 20 30 FFEDMM CC[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cccc(C#N)c1[O-] ZINC000822658616 998909322 /nfs/dbraw/zinc/90/93/22/998909322.db2.gz BGSUUBWQFWKWFP-LJQANCHMSA-N -1 1 364.449 2.759 20 30 FFEDMM Cc1cc2c(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)n[nH]c2cc1C#N ZINC000846499313 1000345427 /nfs/dbraw/zinc/34/54/27/1000345427.db2.gz NRDHXYSYDFOLJC-UHFFFAOYSA-N -1 1 350.382 2.923 20 30 FFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000785540407 1001451520 /nfs/dbraw/zinc/45/15/20/1001451520.db2.gz JDPWYEMVTKDFAK-LBPRGKRZSA-N -1 1 351.362 2.711 20 30 FFEDMM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000785625531 1001463787 /nfs/dbraw/zinc/46/37/87/1001463787.db2.gz QNAXVINBHQXOHU-OLZOCXBDSA-N -1 1 359.426 2.734 20 30 FFEDMM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785638363 1001465617 /nfs/dbraw/zinc/46/56/17/1001465617.db2.gz RTWYWELDEBKADP-CABCVRRESA-N -1 1 359.426 2.830 20 30 FFEDMM COc1cc(C#N)c(F)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184699633 1002687547 /nfs/dbraw/zinc/68/75/47/1002687547.db2.gz WMWNRMQEPQXCBW-UHFFFAOYSA-N -1 1 364.354 2.513 20 30 FFEDMM C=CCc1c(F)c(F)c(C(=O)N=c2ncnc3[nH][n-]c(C)c2-3)c(F)c1F ZINC001186712528 1003395613 /nfs/dbraw/zinc/39/56/13/1003395613.db2.gz AIOLDZYZPYJOKB-UHFFFAOYSA-N -1 1 365.290 2.572 20 30 FFEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001196728719 1003930162 /nfs/dbraw/zinc/93/01/62/1003930162.db2.gz DOCXJAZNPXOLGJ-UHFFFAOYSA-N -1 1 360.420 2.725 20 30 FFEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)Nc1ccc(F)c(CC#N)c1 ZINC001196730339 1003942203 /nfs/dbraw/zinc/94/22/03/1003942203.db2.gz YWYHKRNNDAJULU-UHFFFAOYSA-N -1 1 353.400 2.577 20 30 FFEDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)c2)o1 ZINC001192264875 1004109567 /nfs/dbraw/zinc/10/95/67/1004109567.db2.gz QQPJUAUYAYZQJN-UHFFFAOYSA-N -1 1 358.354 2.857 20 30 FFEDMM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1scc([O-])c1C#N ZINC001192717936 1004257385 /nfs/dbraw/zinc/25/73/85/1004257385.db2.gz GOIRHADJHGAUOY-CYBMUJFWSA-N -1 1 359.407 2.621 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n(-c2cccc(Br)c2)n1 ZINC001193112367 1004378481 /nfs/dbraw/zinc/37/84/81/1004378481.db2.gz RUAJWSQUMMVJRZ-JTQLQIEISA-N -1 1 369.244 2.597 20 30 FFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)c1 ZINC001193435002 1004486585 /nfs/dbraw/zinc/48/65/85/1004486585.db2.gz WNMMJJPDLCJZOG-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)c2ccc(F)c3ccccc23)o1 ZINC001193851167 1004599235 /nfs/dbraw/zinc/59/92/35/1004599235.db2.gz XQZPKGWWBIQXFF-UHFFFAOYSA-N -1 1 358.350 2.605 20 30 FFEDMM N#Cc1cc(Br)cc([N-]S(=O)(=O)c2ccccc2N)c1 ZINC001193924115 1004617117 /nfs/dbraw/zinc/61/71/17/1004617117.db2.gz JGJAPLZFHGBHKU-UHFFFAOYSA-N -1 1 352.213 2.704 20 30 FFEDMM CCCCCCCCS(=O)(=O)[N-][C@H](C(=O)OCC)c1cccnc1 ZINC001188030068 1006387295 /nfs/dbraw/zinc/38/72/95/1006387295.db2.gz HCYGFJSHZBXJFY-INIZCTEOSA-N -1 1 356.488 2.966 20 30 FFEDMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C#N)c2)cc1 ZINC000882791242 1006507884 /nfs/dbraw/zinc/50/78/84/1006507884.db2.gz WTRAXIPBUJSVRV-UHFFFAOYSA-N -1 1 369.446 2.938 20 30 FFEDMM CSc1ncc(Br)c(C(=O)Nc2ccc(C#N)cc2[O-])n1 ZINC001188458687 1006578743 /nfs/dbraw/zinc/57/87/43/1006578743.db2.gz PXPYPAXNONNBAN-UHFFFAOYSA-N -1 1 365.212 2.791 20 30 FFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(C(C)=O)c2)cc1OC ZINC000815908415 1006820334 /nfs/dbraw/zinc/82/03/34/1006820334.db2.gz AVGDNEXVMQCYCG-CYBMUJFWSA-N -1 1 372.402 2.929 20 30 FFEDMM CC(C)Oc1ccc([C@H]2CCCC2N=Nc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000776769533 1007059039 /nfs/dbraw/zinc/05/90/39/1007059039.db2.gz UTQQFGVRVMGGRB-CQSZACIVSA-N -1 1 366.425 2.955 20 30 FFEDMM N#CCCN(Cc1cccnc1)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190260716 1007545458 /nfs/dbraw/zinc/54/54/58/1007545458.db2.gz LMLDULNSFREVCL-UHFFFAOYSA-N -1 1 359.389 2.800 20 30 FFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Br)cnc2F)c1 ZINC001190616036 1007703847 /nfs/dbraw/zinc/70/38/47/1007703847.db2.gz HFNYDPDENWIBFS-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM N#Cc1cc(F)cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC001190587747 1007710864 /nfs/dbraw/zinc/71/08/64/1007710864.db2.gz RDSDTASPLGEKTK-SNVBAGLBSA-N -1 1 365.333 2.736 20 30 FFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccnc2C(F)(F)F)c1 ZINC001190669337 1007725786 /nfs/dbraw/zinc/72/57/86/1007725786.db2.gz NUCALHDDUXSXEE-UHFFFAOYSA-N -1 1 359.304 2.590 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(F)(F)c2ccccn2)c1 ZINC001190998107 1007876581 /nfs/dbraw/zinc/87/65/81/1007876581.db2.gz COBDKKIUOHTFMZ-UHFFFAOYSA-N -1 1 357.769 2.677 20 30 FFEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2c[nH]c3cccnc23)C1=O ZINC000856736100 1007963210 /nfs/dbraw/zinc/96/32/10/1007963210.db2.gz CPPCPVKRGGUIHC-LJQANCHMSA-N -1 1 371.441 2.879 20 30 FFEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnc3ccc[nH]c2-3)C1=O ZINC000856736100 1007963218 /nfs/dbraw/zinc/96/32/18/1007963218.db2.gz CPPCPVKRGGUIHC-LJQANCHMSA-N -1 1 371.441 2.879 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)c2cc(C)c(C#N)c(C)c2)[n-]c1=O ZINC000889787129 1010118176 /nfs/dbraw/zinc/11/81/76/1010118176.db2.gz QRRXIRXRGQNVQY-OAHLLOKOSA-N -1 1 352.394 2.657 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)c2ccc(C3(C#N)CC3)cc2)[n-]c1=O ZINC000889789648 1010121631 /nfs/dbraw/zinc/12/16/31/1010121631.db2.gz IPCICUTTWSEZJQ-OAHLLOKOSA-N -1 1 364.405 2.723 20 30 FFEDMM CCNC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000794602178 1010435141 /nfs/dbraw/zinc/43/51/41/1010435141.db2.gz OLADFVNCTGTZNT-UHFFFAOYSA-N -1 1 372.450 2.719 20 30 FFEDMM N#Cc1cnnc(N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1 ZINC000866143672 1010938465 /nfs/dbraw/zinc/93/84/65/1010938465.db2.gz LZQQUDHCIGWDKP-LBPRGKRZSA-N -1 1 361.327 2.652 20 30 FFEDMM C=CCN1CC2(CCC1=O)CCN(C(=O)c1c(F)ccc([O-])c1F)CC2 ZINC001274850216 1011696350 /nfs/dbraw/zinc/69/63/50/1011696350.db2.gz NDOISUPTJMKRMX-UHFFFAOYSA-N -1 1 364.392 2.701 20 30 FFEDMM CC[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cccc(C#N)c1[O-] ZINC000925740472 1017829313 /nfs/dbraw/zinc/82/93/13/1017829313.db2.gz IASUEMWNBYRVOO-GOSISDBHSA-N -1 1 350.422 2.763 20 30 FFEDMM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801369897 1018900121 /nfs/dbraw/zinc/90/01/21/1018900121.db2.gz CKRLKTWHTIRRDS-HNNXBMFYSA-N -1 1 371.437 2.856 20 30 FFEDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000901604394 1019249380 /nfs/dbraw/zinc/24/93/80/1019249380.db2.gz OZIKDUKUHCKBER-UHFFFAOYSA-N -1 1 371.462 2.954 20 30 FFEDMM CCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C#N)c3)cc21 ZINC000901933141 1019613350 /nfs/dbraw/zinc/61/33/50/1019613350.db2.gz YVEHGDLUOHNFBF-UHFFFAOYSA-N -1 1 369.446 2.967 20 30 FFEDMM Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(-c2cnn(C)c2)c1 ZINC000802704559 1020338990 /nfs/dbraw/zinc/33/89/90/1020338990.db2.gz VHAZKZMZIPPNFQ-RURPWVQCSA-N 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C=C(C)CN(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C[C@H]1CCCO1 ZINC001122828959 1023500118 /nfs/dbraw/zinc/50/01/18/1023500118.db2.gz XZDQYKVQVRUQCU-CQSZACIVSA-N -1 1 370.457 2.509 20 30 FFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)c(OC[C@H]2C[C@@H](O)C2)c1 ZINC001218433714 1033153106 /nfs/dbraw/zinc/15/31/06/1033153106.db2.gz PIEZTIHLZGPZQE-VSODJDPCSA-N -1 1 354.358 2.864 20 30 FFEDMM COC(=O)c1ccc(N=NCc2ccc(OCCC(=O)[O-])cc2)c(OC)c1 ZINC000756902318 1023767233 /nfs/dbraw/zinc/76/72/33/1023767233.db2.gz JVHZTCZYXHBUMD-UHFFFAOYSA-N -1 1 372.377 2.781 20 30 FFEDMM C=CCn1c(N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)nnc1C(C)(C)F ZINC001121533470 1023832808 /nfs/dbraw/zinc/83/28/08/1023832808.db2.gz DOVLZIZRVSVCHA-NSHDSACASA-N -1 1 362.409 2.514 20 30 FFEDMM C=CCO[C@H]1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2CC=C)C1 ZINC001121676129 1023919992 /nfs/dbraw/zinc/91/99/92/1023919992.db2.gz OMPYYHJVKJXYMQ-LBPRGKRZSA-N -1 1 361.833 2.666 20 30 FFEDMM N#Cc1cccc(-c2nc([N-]C(=O)c3cc(-c4cccnc4)on3)n[nH]2)c1 ZINC001161914376 1028362003 /nfs/dbraw/zinc/36/20/03/1028362003.db2.gz RDBQTPNWSIQVEE-UHFFFAOYSA-N -1 1 357.333 2.646 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cc2c(Br)cccn2n1 ZINC001154743768 1028433217 /nfs/dbraw/zinc/43/32/17/1028433217.db2.gz SGLCURQXWWUSQZ-UHFFFAOYSA-N -1 1 374.198 2.536 20 30 FFEDMM COc1cnc(C2(NC(=O)c3ccc(C#N)cc3C)CCCC2)[n-]c1=O ZINC001157251186 1029523232 /nfs/dbraw/zinc/52/32/32/1029523232.db2.gz FKJDNYFNCBIGDU-UHFFFAOYSA-N -1 1 352.394 2.570 20 30 FFEDMM COc1ccc(C(CC(C)C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000842527206 1030779865 /nfs/dbraw/zinc/77/98/65/1030779865.db2.gz LBPHVEVEKABSOC-UHFFFAOYSA-N -1 1 354.414 2.940 20 30 FFEDMM Cc1nc([C@H]2CCCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000796761769 1030907799 /nfs/dbraw/zinc/90/77/99/1030907799.db2.gz LWVAUKZKPAFPMC-QWHCGFSZSA-N -1 1 370.434 2.702 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@H](c2cccnc2)C1 ZINC000799881505 1031918856 /nfs/dbraw/zinc/91/88/56/1031918856.db2.gz NVVBSYWFBRYCRP-ZDUSSCGKSA-N -1 1 374.422 2.982 20 30 FFEDMM C#CCC1(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CCOCC1 ZINC000829788371 1033336831 /nfs/dbraw/zinc/33/68/31/1033336831.db2.gz UZQYDYAMRPLFLK-UHFFFAOYSA-N -1 1 353.374 2.767 20 30 FFEDMM CCOC(=O)C[C@@H](CC#N)O/C(=N\[O-])c1ccccc1Br ZINC001223884162 1033626430 /nfs/dbraw/zinc/62/64/30/1033626430.db2.gz CULHAXRNTPGYQA-BXWLNTHASA-N -1 1 355.188 2.837 20 30 FFEDMM O=[N+]([O-])c1ccc(N2CC[C@H](O/C(=N\[O-])c3cc(F)ccc3F)C2)nc1 ZINC001223889292 1033627805 /nfs/dbraw/zinc/62/78/05/1033627805.db2.gz BBXLJAXPOMLGQX-ZNASEZLDSA-N -1 1 364.308 2.699 20 30 FFEDMM C#Cc1ccc(NC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC001220350632 1034130530 /nfs/dbraw/zinc/13/05/30/1034130530.db2.gz HPIVSOQCAQWTAP-FZMZJTMJSA-N -1 1 353.344 2.731 20 30 FFEDMM C#CCN1CC2(CCC1=O)CCN(C(=O)c1cccc([O-])c1Cl)CC2 ZINC001276393687 1034361628 /nfs/dbraw/zinc/36/16/28/1034361628.db2.gz XYPVWHSQQHKMAH-UHFFFAOYSA-N -1 1 360.841 2.524 20 30 FFEDMM CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCOc1nccc(/C=N/[O-])n1 ZINC001226254751 1034595437 /nfs/dbraw/zinc/59/54/37/1034595437.db2.gz CNTWAKJOTWRXDQ-QYCYQRASSA-N -1 1 350.419 2.843 20 30 FFEDMM C[C@@H](Oc1[n-]c(=O)ncc1I)c1ccccc1C#N ZINC001226774415 1034830828 /nfs/dbraw/zinc/83/08/28/1034830828.db2.gz OBYWIUOPBVIYHD-MRVPVSSYSA-N -1 1 367.146 2.798 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@H]2CC(=O)[O-])cc1C ZINC000832934601 1035031079 /nfs/dbraw/zinc/03/10/79/1035031079.db2.gz GBVVWKBSYOZARN-KRWDZBQOSA-N -1 1 357.454 2.879 20 30 FFEDMM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]c(=O)nc2c1CO[C@H]2C ZINC001227710068 1035690329 /nfs/dbraw/zinc/69/03/29/1035690329.db2.gz HVFDIEFCRGAYAW-WCQYABFASA-N -1 1 363.414 2.718 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H](Oc2[n-]c(=S)nc3cnccc32)C[C@H]1C#N ZINC001227884630 1035786500 /nfs/dbraw/zinc/78/65/00/1035786500.db2.gz IBQRKULOVUZSAU-WDEREUQCSA-N -1 1 373.438 2.968 20 30 FFEDMM CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@H]2Oc1cc([O-])ccc1C#N ZINC001228005701 1035869471 /nfs/dbraw/zinc/86/94/71/1035869471.db2.gz QSXQKLZNSMZWEP-VQIMIIECSA-N -1 1 360.410 2.811 20 30 FFEDMM C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1cc([O-])ccc1C(=O)CC ZINC001229474998 1036694722 /nfs/dbraw/zinc/69/47/22/1036694722.db2.gz OSBQUDKVZWJCMO-AWEZNQCLSA-N -1 1 362.378 2.581 20 30 FFEDMM O=C(/C=C/c1ccc(O)c(O)c1)c1ccc([O-])cc1O[C@H]1C=CC(=O)C1 ZINC001229591926 1036769427 /nfs/dbraw/zinc/76/94/27/1036769427.db2.gz XUYTXOGXLZWPIF-QAAPOCMNSA-N -1 1 352.342 2.976 20 30 FFEDMM C#C[C@H](CCC)Oc1cc(C(=O)OC)cc([O-])c1I ZINC001234434074 1037034495 /nfs/dbraw/zinc/03/44/95/1037034495.db2.gz ORHCRVIQRBPZNV-SNVBAGLBSA-N -1 1 374.174 2.964 20 30 FFEDMM [O-]N=Cc1cc(Br)cc(Br)c1OC1COC1 ZINC001231323383 1037531980 /nfs/dbraw/zinc/53/19/80/1037531980.db2.gz WZJCFHBLLNGBAZ-UHFFFAOYSA-N -1 1 350.994 2.797 20 30 FFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(F)c2)cc1 ZINC001256238344 1038445948 /nfs/dbraw/zinc/44/59/48/1038445948.db2.gz LVQZGTCFQAVALL-UHFFFAOYSA-N -1 1 362.382 2.597 20 30 FFEDMM CC(C)(C)OC(=O)N1CCC[C@](O)(CNc2cc(C#N)c(F)cc2[O-])C1 ZINC001251319422 1039067704 /nfs/dbraw/zinc/06/77/04/1039067704.db2.gz CVQNFPGSLIGIDF-SFHVURJKSA-N -1 1 365.405 2.577 20 30 FFEDMM CN1CCN(c2ccc(Nc3cccc(CC(=O)[O-])c3)cc2C#N)CC1 ZINC001210070708 1039365489 /nfs/dbraw/zinc/36/54/89/1039365489.db2.gz IVLHIJPWNWOTSN-UHFFFAOYSA-N -1 1 350.422 2.681 20 30 FFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ncc(Br)cc2F)ccc1F ZINC001259412304 1039984183 /nfs/dbraw/zinc/98/41/83/1039984183.db2.gz APNHNMVMTNGWDS-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC001259419310 1039989244 /nfs/dbraw/zinc/98/92/44/1039989244.db2.gz SXAGIWCUUCRHOY-LLVKDONJSA-N -1 1 362.382 2.775 20 30 FFEDMM COc1cc(OC)c([N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1F ZINC001260044188 1040374637 /nfs/dbraw/zinc/37/46/37/1040374637.db2.gz HETVSGDXBJHYOB-UHFFFAOYSA-N -1 1 350.371 2.656 20 30 FFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)OCC ZINC001213382927 1040495858 /nfs/dbraw/zinc/49/58/58/1040495858.db2.gz JDIULKYJNCBHLD-VIFPVBQESA-N -1 1 358.268 2.754 20 30 FFEDMM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)CC(C)C ZINC001261065276 1040967234 /nfs/dbraw/zinc/96/72/34/1040967234.db2.gz LWJPBCSUWIVXGJ-ZDUSSCGKSA-N -1 1 364.876 2.795 20 30 FFEDMM Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318899844 1044930057 /nfs/dbraw/zinc/93/00/57/1044930057.db2.gz CUWPBZDYSOELTE-UHFFFAOYSA-N -1 1 371.418 2.819 20 30 FFEDMM CCCN(CC)c1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001318925546 1044942140 /nfs/dbraw/zinc/94/21/40/1044942140.db2.gz OLEPQVILZNNGLF-UHFFFAOYSA-N -1 1 371.462 2.802 20 30 FFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1 ZINC001319339177 1045116834 /nfs/dbraw/zinc/11/68/34/1045116834.db2.gz RAYNMHJWLBFMAU-UHFFFAOYSA-N -1 1 369.446 2.676 20 30 FFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(OC2CCCC2)c1 ZINC001318364295 1045281135 /nfs/dbraw/zinc/28/11/35/1045281135.db2.gz VXKMJODHIRLHIA-UHFFFAOYSA-N -1 1 370.430 2.887 20 30 FFEDMM CCc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccc(C#N)cc3)n2)cc1 ZINC001320861672 1045483638 /nfs/dbraw/zinc/48/36/38/1045483638.db2.gz DAFZLENRMHJPFH-UHFFFAOYSA-N -1 1 352.419 2.880 20 30 FFEDMM CCc1ccc(-c2nc(S(=O)(=O)Cc3ccc(C#N)cc3)n[n-]2)cc1 ZINC001320861672 1045483640 /nfs/dbraw/zinc/48/36/40/1045483640.db2.gz DAFZLENRMHJPFH-UHFFFAOYSA-N -1 1 352.419 2.880 20 30 FFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(F)c2)c1 ZINC001321439534 1045665116 /nfs/dbraw/zinc/66/51/16/1045665116.db2.gz CNQSRLAYQKQPJN-UHFFFAOYSA-N -1 1 362.382 2.597 20 30 FFEDMM N#CCOc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC001322815095 1046234981 /nfs/dbraw/zinc/23/49/81/1046234981.db2.gz ASCLQAIFSLXONP-UHFFFAOYSA-N -1 1 372.780 2.999 20 30 FFEDMM COC(=O)c1cc(C(C)=O)c(NC(=O)CSc2ccc(C#N)cc2)[n-]1 ZINC001288774809 1047508030 /nfs/dbraw/zinc/50/80/30/1047508030.db2.gz PIAHWVMHKPOWAD-UHFFFAOYSA-N -1 1 357.391 2.606 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001340224879 1050633005 /nfs/dbraw/zinc/63/30/05/1050633005.db2.gz ZUEYBKLPCAKKGU-STQMWFEESA-N -1 1 354.458 2.986 20 30 FFEDMM C[C@H](CC#N)N(C)c1nnc(-c2nc(Cl)n[n-]2)n1Cc1ccccc1 ZINC001342190010 1050782432 /nfs/dbraw/zinc/78/24/32/1050782432.db2.gz PSVBMUKQSDDFBH-LLVKDONJSA-N -1 1 356.821 2.503 20 30 FFEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001340732155 1051091003 /nfs/dbraw/zinc/09/10/03/1051091003.db2.gz CDHZHJYVPVUQOU-CYBMUJFWSA-N -1 1 371.832 2.950 20 30 FFEDMM C[C@@H](C#N)CN(C)c1nnc(-c2nc(Cl)n[n-]2)n1CCc1ccccc1 ZINC001340752219 1051107419 /nfs/dbraw/zinc/10/74/19/1051107419.db2.gz UZVFEYDXXCBNTN-LBPRGKRZSA-N -1 1 370.848 2.555 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001342533585 1051136677 /nfs/dbraw/zinc/13/66/77/1051136677.db2.gz VHSIYMJOFMSQGX-LLVKDONJSA-N -1 1 359.821 2.880 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)[C@H](C)CCSCC ZINC001342885937 1051495772 /nfs/dbraw/zinc/49/57/72/1051495772.db2.gz CDKHAFCDMLNKOR-GFCCVEGCSA-N -1 1 350.492 2.918 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@H](OC)C1 ZINC001342949557 1051563070 /nfs/dbraw/zinc/56/30/70/1051563070.db2.gz CKWSCIXRXATZKT-LBPRGKRZSA-N -1 1 363.849 2.890 20 30 FFEDMM O=C(NCC#C[C@@H]1CCCCO1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001344911429 1052123591 /nfs/dbraw/zinc/12/35/91/1052123591.db2.gz OGGPMBCIIIGLLW-IBGZPJMESA-N -1 1 370.449 2.569 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)Cc1cnn(C)c1 ZINC001343872757 1052463591 /nfs/dbraw/zinc/46/35/91/1052463591.db2.gz OILGOXLPURZQIA-UHFFFAOYSA-N -1 1 373.848 2.645 20 30 FFEDMM C=CCC[C@H]1CCCN1c1nnc(-c2c[n-][nH]c2=O)n1C[C@H]1CCCCO1 ZINC001347162613 1053680109 /nfs/dbraw/zinc/68/01/09/1053680109.db2.gz XPWMKRNQCDJPMZ-LSDHHAIUSA-N -1 1 372.473 2.878 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@@H](OC)CC[C@@H]1C ZINC001351921629 1055066487 /nfs/dbraw/zinc/06/64/87/1055066487.db2.gz VVADJUABNJAZAN-RYUDHWBXSA-N -1 1 363.849 2.889 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1c(C)cccc1C ZINC001352093435 1055187252 /nfs/dbraw/zinc/18/72/52/1055187252.db2.gz KXFXFQONSXEYGV-AWEZNQCLSA-N -1 1 350.430 2.603 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1c(C)cccc1C ZINC001352093435 1055187258 /nfs/dbraw/zinc/18/72/58/1055187258.db2.gz KXFXFQONSXEYGV-AWEZNQCLSA-N -1 1 350.430 2.603 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001339004694 1056007862 /nfs/dbraw/zinc/00/78/62/1056007862.db2.gz XMBOENBBLZRVDW-BONVTDFDSA-N -1 1 368.363 2.729 20 30 FFEDMM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001447404888 1058639713 /nfs/dbraw/zinc/63/97/13/1058639713.db2.gz SRPRASBVHZLXHN-UHFFFAOYSA-N -1 1 367.796 2.988 20 30 FFEDMM CC#CC[C@@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC001515851996 1059842085 /nfs/dbraw/zinc/84/20/85/1059842085.db2.gz MWDHIUWVXASPFH-INIZCTEOSA-N -1 1 374.462 2.682 20 30 FFEDMM CCCc1cc(=O)[n-]c(SCC#CCN2C(=O)c3ccccc3C2=O)n1 ZINC001458791968 1060662671 /nfs/dbraw/zinc/66/26/71/1060662671.db2.gz HQGOVQWQMOWAKU-UHFFFAOYSA-N -1 1 367.430 2.526 20 30 FFEDMM N#Cc1cccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1Br ZINC001460818715 1061115096 /nfs/dbraw/zinc/11/50/96/1061115096.db2.gz RMMSPQFBYHRDGX-UHFFFAOYSA-N -1 1 373.210 2.947 20 30 FFEDMM N#Cc1c(F)cccc1N1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC001463872707 1062306889 /nfs/dbraw/zinc/30/68/89/1062306889.db2.gz JRKRZJJJQVHQEA-UHFFFAOYSA-N -1 1 373.815 2.948 20 30 FFEDMM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1F ZINC001464008965 1062379655 /nfs/dbraw/zinc/37/96/55/1062379655.db2.gz PHCVKFAGIJTKRS-MGPLVRAMSA-N -1 1 368.817 2.751 20 30 FFEDMM CC[C@H](Cc1cn(C)c2ccccc12)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001464204026 1062482242 /nfs/dbraw/zinc/48/22/42/1062482242.db2.gz QLJUNFHMHRLTID-CQSZACIVSA-N -1 1 357.435 2.943 20 30 FFEDMM COc1cc(F)c(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)c(F)c1 ZINC001531355301 1062750616 /nfs/dbraw/zinc/75/06/16/1062750616.db2.gz ZECDWZMMTPUAKR-UHFFFAOYSA-N -1 1 369.331 2.737 20 30 FFEDMM CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001578394910 1078468964 /nfs/dbraw/zinc/46/89/64/1078468964.db2.gz VXQZQTVCLUDBDM-UHFFFAOYSA-N -1 1 369.410 2.520 20 30 FFEDMM CCn1nccc1[C@H]1OCCC[C@H]1C=NNc1cnnc([O-])c1Cl ZINC001552452434 1075076755 /nfs/dbraw/zinc/07/67/55/1075076755.db2.gz LJDQEPDEHYLFGA-HZMBPMFUSA-N -1 1 350.810 2.618 20 30 FFEDMM CSc1nc([O-])c(C(=O)N=[S@@](C)(=O)c2ccc(C)cc2)cc1C#N ZINC001585460369 1079465286 /nfs/dbraw/zinc/46/52/86/1079465286.db2.gz RMGPNVLGASZYOT-DEOSSOPVSA-N -1 1 361.448 2.986 20 30 FFEDMM C=C(C)C[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001558111203 1075943998 /nfs/dbraw/zinc/94/39/98/1075943998.db2.gz WJVNSNXLRSWINR-KRWDZBQOSA-N -1 1 374.462 2.544 20 30 FFEDMM O=C([N-]CCOC(F)(F)C(F)(F)F)C(F)(F)C1(O)CCCCC1 ZINC001558218237 1075962964 /nfs/dbraw/zinc/96/29/64/1075962964.db2.gz MFIZCWZGRKSFCF-UHFFFAOYSA-N -1 1 355.250 2.605 20 30 FFEDMM C#CCN1CCC(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])CC1 ZINC001558422346 1076001677 /nfs/dbraw/zinc/00/16/77/1076001677.db2.gz BETSCXWSHWMHAF-UHFFFAOYSA-N -1 1 366.465 2.529 20 30 FFEDMM N#Cc1cccc(-n2ccc(C(=O)NCCc3c(F)cc([O-])cc3F)n2)c1 ZINC001558516217 1076022138 /nfs/dbraw/zinc/02/21/38/1076022138.db2.gz RDXMCHPBXPYYAB-UHFFFAOYSA-N -1 1 368.343 2.700 20 30 FFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H](CO)c1cc(F)ccc1F ZINC001558802142 1076079272 /nfs/dbraw/zinc/07/92/72/1076079272.db2.gz YTPJSFORVYLNBJ-HNNXBMFYSA-N -1 1 352.287 2.778 20 30 FFEDMM C=CCN(C(=O)c1ccc([O-])cn1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001567605649 1077038810 /nfs/dbraw/zinc/03/88/10/1077038810.db2.gz CHNJUJCHTWWGMV-SFHVURJKSA-N -1 1 354.406 2.590 20 30 FFEDMM C=CC(C)(C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-] ZINC001573228284 1077610024 /nfs/dbraw/zinc/61/00/24/1077610024.db2.gz NQTCFCVIGJIXJY-CABCVRRESA-N -1 1 359.470 2.746 20 30 FFEDMM C#CCOc1cc(F)ccc1NC(=O)c1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001587189662 1079751810 /nfs/dbraw/zinc/75/18/10/1079751810.db2.gz XDJGFKSPUPDSOY-UHFFFAOYSA-N -1 1 359.357 2.768 20 30 FFEDMM C=C(C)C(C)(C)C(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001588392898 1080005792 /nfs/dbraw/zinc/00/57/92/1080005792.db2.gz LGCOBIXLHRCWMV-UHFFFAOYSA-N -1 1 370.457 2.670 20 30 FFEDMM C=C(C)CCC(=O)N(C)CCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588409774 1080014080 /nfs/dbraw/zinc/01/40/80/1080014080.db2.gz HXCGTMHSQJEUDY-UHFFFAOYSA-N -1 1 369.882 2.593 20 30 FFEDMM C=C(C)CCC(=O)NCC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588417848 1080021568 /nfs/dbraw/zinc/02/15/68/1080021568.db2.gz IHPCINHJHGDOSW-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=C(C)CCC(=O)NCC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588417848 1080021579 /nfs/dbraw/zinc/02/15/79/1080021579.db2.gz IHPCINHJHGDOSW-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCCC(=O)N[C@@H](CNc1snc(C)c1-c1nn[n-]n1)CC(C)C ZINC001588571782 1080103308 /nfs/dbraw/zinc/10/33/08/1080103308.db2.gz NYFRAJBUWKKYLG-GFCCVEGCSA-N -1 1 363.491 2.541 20 30 FFEDMM C=CCN(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001588626610 1080127274 /nfs/dbraw/zinc/12/72/74/1080127274.db2.gz MSYJEIGUONLMQF-UHFFFAOYSA-N -1 1 354.439 2.923 20 30 FFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCCC2(CC2)CC1 ZINC001588704944 1080163145 /nfs/dbraw/zinc/16/31/45/1080163145.db2.gz QCEPCLXTFCHNHN-UHFFFAOYSA-N -1 1 366.429 2.675 20 30 FFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCCC2(CC2)CC1 ZINC001588704944 1080163150 /nfs/dbraw/zinc/16/31/50/1080163150.db2.gz QCEPCLXTFCHNHN-UHFFFAOYSA-N -1 1 366.429 2.675 20 30 FFEDMM CC(C)(C)CN(CCC#N)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001589128886 1080377433 /nfs/dbraw/zinc/37/74/33/1080377433.db2.gz KGRMRILHVUWYKJ-UHFFFAOYSA-N -1 1 351.414 2.750 20 30 FFEDMM CC(C)Oc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1C#N ZINC001589758472 1080713087 /nfs/dbraw/zinc/71/30/87/1080713087.db2.gz CRGHJSNZBYOLTI-UHFFFAOYSA-N -1 1 354.395 2.839 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001589955604 1080901345 /nfs/dbraw/zinc/90/13/45/1080901345.db2.gz NMRIFZZQJRBNLU-IXDOHACOSA-N -1 1 371.437 2.768 20 30 FFEDMM CC1(C)CCC(NN=C2CCCc3c2c[nH]c(=O)c3-c2nn[n-]n2)CC1 ZINC001590090344 1081002989 /nfs/dbraw/zinc/00/29/89/1081002989.db2.gz JNLCQRVBSXLMSM-UHFFFAOYSA-N -1 1 355.446 2.566 20 30 FFEDMM C[C@@H]1CCc2nc(NC(=O)c3csc(-c4nn[n-]n4)c3)c(C#N)cc2C1 ZINC001590280288 1081137515 /nfs/dbraw/zinc/13/75/15/1081137515.db2.gz LUUGKKQXAZRKEJ-SECBINFHSA-N -1 1 365.422 2.572 20 30 FFEDMM CC(C)C(=O)Nc1nc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cs1 ZINC000051266391 221034443 /nfs/dbraw/zinc/03/44/43/221034443.db2.gz OLBYFRMHPBUMPG-UHFFFAOYSA-N -1 1 362.337 2.705 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)ccc1C#N ZINC000277589299 256215221 /nfs/dbraw/zinc/21/52/21/256215221.db2.gz LKLXYMNAMKOMAU-UHFFFAOYSA-N -1 1 369.446 2.904 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1 ZINC000287978929 257135231 /nfs/dbraw/zinc/13/52/31/257135231.db2.gz YNDZAKVSSWGALS-UKRRQHHQSA-N -1 1 352.799 2.613 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)o1 ZINC000288483259 257194373 /nfs/dbraw/zinc/19/43/73/257194373.db2.gz LJIRTZXMPQYHLT-CQSZACIVSA-N -1 1 358.379 2.680 20 30 FFEDMM C[C@H]1CCCN1S(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000332226411 258220038 /nfs/dbraw/zinc/22/00/38/258220038.db2.gz ZVLLTVSZFCYYRH-NSHDSACASA-N -1 1 365.846 2.538 20 30 FFEDMM N#C[C@@]1([N-]S(=O)(=O)Cc2c(F)cccc2F)CCc2ccccc2C1 ZINC000373208018 512221272 /nfs/dbraw/zinc/22/12/72/512221272.db2.gz YKNWMRLNKGUWGZ-GOSISDBHSA-N -1 1 362.401 2.835 20 30 FFEDMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000024427457 507410710 /nfs/dbraw/zinc/41/07/10/507410710.db2.gz MJHJEUSTPCODRI-UHFFFAOYSA-N -1 1 358.423 2.889 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)cc1Cl ZINC000059780072 507504836 /nfs/dbraw/zinc/50/48/36/507504836.db2.gz YEPPXGJXAHSPPW-UHFFFAOYSA-N -1 1 373.825 2.652 20 30 FFEDMM CCCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000060556231 507561669 /nfs/dbraw/zinc/56/16/69/507561669.db2.gz ZINJDYLTIKQDFB-UHFFFAOYSA-N -1 1 357.435 2.863 20 30 FFEDMM CC(C)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000108400037 507893152 /nfs/dbraw/zinc/89/31/52/507893152.db2.gz HZBFEDTXTXNJFB-OAHLLOKOSA-N -1 1 360.439 2.635 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000102350918 508272859 /nfs/dbraw/zinc/27/28/59/508272859.db2.gz FZOMAUYUFCATKT-OAHLLOKOSA-N -1 1 357.435 2.828 20 30 FFEDMM C#Cc1cccc(N(C)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000103102146 508296335 /nfs/dbraw/zinc/29/63/35/508296335.db2.gz CKHAUAKCVCCKJN-UHFFFAOYSA-N -1 1 372.428 2.717 20 30 FFEDMM N#C[C@H](C(=O)c1cscn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000103329419 508308819 /nfs/dbraw/zinc/30/88/19/508308819.db2.gz MZEKWVWVTVZFIP-SECBINFHSA-N -1 1 356.432 2.810 20 30 FFEDMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000115313439 508384345 /nfs/dbraw/zinc/38/43/45/508384345.db2.gz VAJNAWZPLQIANY-JOCHJYFZSA-N -1 1 368.867 2.891 20 30 FFEDMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000157982324 508640830 /nfs/dbraw/zinc/64/08/30/508640830.db2.gz NTAJZPBNWVKFNH-UHFFFAOYSA-N -1 1 358.419 2.810 20 30 FFEDMM N#C[C@H](C(=O)c1cncc(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000151536385 509038351 /nfs/dbraw/zinc/03/83/51/509038351.db2.gz DTBVMMKVRNATST-GFCCVEGCSA-N -1 1 368.393 2.888 20 30 FFEDMM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188796891 509268181 /nfs/dbraw/zinc/26/81/81/509268181.db2.gz ZHQPBASTAJBUJU-KRWDZBQOSA-N -1 1 366.417 2.947 20 30 FFEDMM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000189040861 509383406 /nfs/dbraw/zinc/38/34/06/509383406.db2.gz ZHBKOBNBGAFKHL-UHFFFAOYSA-N -1 1 368.361 2.662 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1[O-] ZINC000189200640 509461235 /nfs/dbraw/zinc/46/12/35/509461235.db2.gz JQEFQDZMBPOJIN-ZDUSSCGKSA-N -1 1 364.327 2.956 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)CCCC2)no1 ZINC000183496393 509827079 /nfs/dbraw/zinc/82/70/79/509827079.db2.gz MYEJZPHSOHVIOO-UHFFFAOYSA-N -1 1 366.830 2.651 20 30 FFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(C(=O)N2CCCC2)n1 ZINC000173902314 509842998 /nfs/dbraw/zinc/84/29/98/509842998.db2.gz SJBBIMCSLRKXBQ-CQSZACIVSA-N -1 1 373.416 2.694 20 30 FFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H](C)C#N)c2)c1 ZINC000171845792 510404944 /nfs/dbraw/zinc/40/49/44/510404944.db2.gz KNIJPWVHDMDHHT-CQSZACIVSA-N -1 1 371.462 2.994 20 30 FFEDMM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000330280759 510955991 /nfs/dbraw/zinc/95/59/91/510955991.db2.gz SYKQSVFSXNAQFS-BBRMVZONSA-N -1 1 368.455 2.626 20 30 FFEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000277562899 510966216 /nfs/dbraw/zinc/96/62/16/510966216.db2.gz PPURCMDWNVSCEN-MRXNPFEDSA-N -1 1 365.437 2.636 20 30 FFEDMM CCc1ccc(C#CC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000294700159 511147871 /nfs/dbraw/zinc/14/78/71/511147871.db2.gz NBICIHHGNOQGDM-INIZCTEOSA-N -1 1 366.383 2.518 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2cnc(C#N)c(Cl)c2)c(=O)[n-]1 ZINC000411034630 512443652 /nfs/dbraw/zinc/44/36/52/512443652.db2.gz SLKYSBUGJKACHL-UHFFFAOYSA-N -1 1 363.830 2.704 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cn(C4CCCC4)nc32)o1 ZINC000376326565 512769036 /nfs/dbraw/zinc/76/90/36/512769036.db2.gz AYLDZQOALBCALJ-OAHLLOKOSA-N -1 1 360.439 2.819 20 30 FFEDMM N#CC[C@@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000397623288 512947519 /nfs/dbraw/zinc/94/75/19/512947519.db2.gz SJNYCFMZQPGZDU-JTQLQIEISA-N -1 1 370.190 2.763 20 30 FFEDMM CN(C)c1nc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc(=O)[n-]1 ZINC000434114580 513241584 /nfs/dbraw/zinc/24/15/84/513241584.db2.gz FWSNEDGUMWGBFA-OAHLLOKOSA-N -1 1 353.426 2.540 20 30 FFEDMM Cc1ncc(S(=O)(=O)[N-]c2cc(C3C(C)(C)C3(C)C)n[nH]2)cc1C#N ZINC000451055734 513488797 /nfs/dbraw/zinc/48/87/97/513488797.db2.gz MMEVZWXIDZGIDT-UHFFFAOYSA-N -1 1 359.455 2.935 20 30 FFEDMM N#CC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC1 ZINC000416356283 513729528 /nfs/dbraw/zinc/72/95/28/513729528.db2.gz DWPCDMCTNWLWKV-UHFFFAOYSA-N -1 1 369.446 2.911 20 30 FFEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2ccncc2)no1 ZINC000442957482 513827192 /nfs/dbraw/zinc/82/71/92/513827192.db2.gz TYLCKMGAQFQINC-MRXNPFEDSA-N -1 1 363.377 2.836 20 30 FFEDMM N#Cc1ccc(OCCNC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436588094 513907665 /nfs/dbraw/zinc/90/76/65/513907665.db2.gz GUDUQGSXCBIDDW-UHFFFAOYSA-N -1 1 361.195 2.835 20 30 FFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1O ZINC000436804132 513987866 /nfs/dbraw/zinc/98/78/66/513987866.db2.gz AVPFZBZMASHSLM-UHFFFAOYSA-N -1 1 374.418 2.781 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1F ZINC000427123783 514122163 /nfs/dbraw/zinc/12/21/63/514122163.db2.gz LAKSXHAHCDWJOW-UHFFFAOYSA-N -1 1 356.382 2.743 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1Br ZINC000432762333 514278946 /nfs/dbraw/zinc/27/89/46/514278946.db2.gz FQPSFSAOVBMUMH-UHFFFAOYSA-N -1 1 353.197 2.827 20 30 FFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000508189796 514698479 /nfs/dbraw/zinc/69/84/79/514698479.db2.gz HDCAOTJSXAHUEF-NSHDSACASA-N -1 1 365.238 2.606 20 30 FFEDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3CC#N)c2)n[nH]1 ZINC000475810797 514819631 /nfs/dbraw/zinc/81/96/31/514819631.db2.gz KCHXDGQXHZRLDC-UHFFFAOYSA-N -1 1 367.434 2.955 20 30 FFEDMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475815284 514822315 /nfs/dbraw/zinc/82/23/15/514822315.db2.gz UYJCMHNHIIPOPP-UHFFFAOYSA-N -1 1 357.435 2.692 20 30 FFEDMM CC#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000498572399 514979739 /nfs/dbraw/zinc/97/97/39/514979739.db2.gz AJVHGQZUEFMMHQ-UHFFFAOYSA-N -1 1 360.410 2.770 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)CC#N)c1 ZINC000504531704 515322943 /nfs/dbraw/zinc/32/29/43/515322943.db2.gz GNSPCBNXLHZXDC-UHFFFAOYSA-N -1 1 357.435 2.700 20 30 FFEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000463527928 515535778 /nfs/dbraw/zinc/53/57/78/515535778.db2.gz VFJAAUJCOMKBNV-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1NC(=O)N(C)C ZINC000478679985 515920623 /nfs/dbraw/zinc/92/06/23/515920623.db2.gz FJJYJDUFKKQXCX-UHFFFAOYSA-N -1 1 358.423 2.761 20 30 FFEDMM C=CCn1c(SCc2nn[n-]n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000497196886 516300547 /nfs/dbraw/zinc/30/05/47/516300547.db2.gz BUNBRHQJNZRAFG-VIFPVBQESA-N -1 1 374.495 2.574 20 30 FFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512726426 516337209 /nfs/dbraw/zinc/33/72/09/516337209.db2.gz WXVYWHBPVVLNHJ-UHFFFAOYSA-N -1 1 360.391 2.683 20 30 FFEDMM N#C[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000539949180 516367936 /nfs/dbraw/zinc/36/79/36/516367936.db2.gz KYWYIFWRRPHFFR-CYBMUJFWSA-N -1 1 359.304 2.783 20 30 FFEDMM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1NC(C)=O ZINC000513382230 516596234 /nfs/dbraw/zinc/59/62/34/516596234.db2.gz DRRGUILBCDUSHU-UHFFFAOYSA-N -1 1 359.407 2.635 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(Br)c2)o1 ZINC000561495077 516617451 /nfs/dbraw/zinc/61/74/51/516617451.db2.gz AVNXLAMLIWHQRD-UHFFFAOYSA-N -1 1 359.176 2.531 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)c1 ZINC000562053684 516897099 /nfs/dbraw/zinc/89/70/99/516897099.db2.gz DRKIHRKQAXYWIG-OAHLLOKOSA-N -1 1 369.368 2.795 20 30 FFEDMM C=CCc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc(OC)c1OC ZINC000555526239 516954628 /nfs/dbraw/zinc/95/46/28/516954628.db2.gz VTKMOMRUNSRVOE-UHFFFAOYSA-N -1 1 373.409 2.541 20 30 FFEDMM Cc1nc([C@](C)([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C2CC2)no1 ZINC000555756709 517104940 /nfs/dbraw/zinc/10/49/40/517104940.db2.gz TXYAHTIJTBWVJH-OAHLLOKOSA-N -1 1 366.830 2.507 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Cl)cn1 ZINC000555945674 517200392 /nfs/dbraw/zinc/20/03/92/517200392.db2.gz IUBHSOPVPAEEGA-VIFPVBQESA-N -1 1 366.786 2.554 20 30 FFEDMM N#CC(=C([O-])c1ccnc(NC(=O)C2CC2)c1)c1cnc2ccccc2n1 ZINC000552360745 517219319 /nfs/dbraw/zinc/21/93/19/517219319.db2.gz PTDHSTDIJLBVNU-AWEZNQCLSA-N -1 1 357.373 2.863 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)cc1Br ZINC000562784519 517397332 /nfs/dbraw/zinc/39/73/32/517397332.db2.gz AYQGPKMCLNZGRK-DVYJOKAKSA-N -1 1 373.247 2.927 20 30 FFEDMM CCOc1ccc(N(CCC#N)C(=O)CSc2ncc(C)c(=O)[n-]2)cc1 ZINC000516664377 517798167 /nfs/dbraw/zinc/79/81/67/517798167.db2.gz NFAIODXNCDFUQV-UHFFFAOYSA-N -1 1 372.450 2.928 20 30 FFEDMM C=CCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000543169634 517944217 /nfs/dbraw/zinc/94/42/17/517944217.db2.gz LOCAPUUNIYDFEH-GFCCVEGCSA-N -1 1 352.239 2.703 20 30 FFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc2[nH]ccc21 ZINC000579516756 518717622 /nfs/dbraw/zinc/71/76/22/518717622.db2.gz ADBNRKGPIYDEIM-UHFFFAOYSA-N -1 1 369.402 2.935 20 30 FFEDMM COc1ccc(CCNC(=O)c2cc([O-])cc(C#N)c2)cc1OC(F)F ZINC000589175586 518940050 /nfs/dbraw/zinc/94/00/50/518940050.db2.gz SPRDWDSTDZIWPL-UHFFFAOYSA-N -1 1 362.332 2.846 20 30 FFEDMM C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589528263 519025441 /nfs/dbraw/zinc/02/54/41/519025441.db2.gz TWXNZEIQSIXKGT-GFCCVEGCSA-N -1 1 351.410 2.730 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(Br)ccc2F)o1 ZINC000565838669 519157568 /nfs/dbraw/zinc/15/75/68/519157568.db2.gz QCYAGHAVDCHEGA-UHFFFAOYSA-N -1 1 373.203 2.574 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(C#N)C3)cc2)c1C ZINC000590483045 519244284 /nfs/dbraw/zinc/24/42/84/519244284.db2.gz PHWICXUHTWGXNP-UHFFFAOYSA-N -1 1 369.446 2.700 20 30 FFEDMM C=CCc1ccccc1OC[C@@H](O)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000571888447 519331268 /nfs/dbraw/zinc/33/12/68/519331268.db2.gz MBZSCEZESZULSA-INIZCTEOSA-N -1 1 359.422 2.886 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ncco2)CCCC1 ZINC000594487117 519996788 /nfs/dbraw/zinc/99/67/88/519996788.db2.gz FOVHCIOOIHZKNO-INIZCTEOSA-N -1 1 359.451 2.962 20 30 FFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1F ZINC000594578795 520036345 /nfs/dbraw/zinc/03/63/45/520036345.db2.gz OUZXYEDVJJAWRM-UHFFFAOYSA-N -1 1 374.821 2.770 20 30 FFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1)C(C)C ZINC000592352218 520345176 /nfs/dbraw/zinc/34/51/76/520345176.db2.gz RTEVFJFQSJDXLP-CYBMUJFWSA-N -1 1 350.362 2.990 20 30 FFEDMM C[C@@]1(C#N)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000598405030 520601831 /nfs/dbraw/zinc/60/18/31/520601831.db2.gz GOXGJYYTZKLWNB-IBGZPJMESA-N -1 1 369.446 2.863 20 30 FFEDMM Cc1nc(C2([N-]S(=O)(=O)c3cccc(Cl)c3C#N)CCCC2)no1 ZINC000611015511 520947984 /nfs/dbraw/zinc/94/79/84/520947984.db2.gz DLFIWKUKPBEDAO-UHFFFAOYSA-N -1 1 366.830 2.651 20 30 FFEDMM CN(C(=O)c1cc(I)ccc1[O-])[C@H]1CCC[C@H]1C#N ZINC000601809399 520963124 /nfs/dbraw/zinc/96/31/24/520963124.db2.gz FMDWPKOLQAVLPP-CABZTGNLSA-N -1 1 370.190 2.761 20 30 FFEDMM COc1cccc(C2(NC(=O)c3cc([O-])cc(C#N)c3)CCOCC2)c1F ZINC000618540190 521112012 /nfs/dbraw/zinc/11/20/12/521112012.db2.gz GRMWPGDCSKSYKO-UHFFFAOYSA-N -1 1 370.380 2.847 20 30 FFEDMM COC(=O)c1cc(C(=O)[N-]c2nc(-c3cccc(C#N)c3)cs2)on1 ZINC000611589790 521241200 /nfs/dbraw/zinc/24/12/00/521241200.db2.gz MNIWOTAENWQHOP-UHFFFAOYSA-N -1 1 354.347 2.709 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000619456730 521577636 /nfs/dbraw/zinc/57/76/36/521577636.db2.gz VJAGXNWMXURFRI-AWEZNQCLSA-N -1 1 366.295 2.626 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000619461483 521579605 /nfs/dbraw/zinc/57/96/05/521579605.db2.gz KXBIZDJSRGCAIZ-UHFFFAOYSA-N -1 1 369.446 2.789 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c1 ZINC000619462078 521581329 /nfs/dbraw/zinc/58/13/29/521581329.db2.gz YQVOKZOYECEJGA-UHFFFAOYSA-N -1 1 352.419 2.798 20 30 FFEDMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000619617832 521797763 /nfs/dbraw/zinc/79/77/63/521797763.db2.gz JAQVYEMRABEXKE-KRWDZBQOSA-N -1 1 372.808 2.821 20 30 FFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000620315058 522175607 /nfs/dbraw/zinc/17/56/07/522175607.db2.gz WRKDGLWYHGWMOK-BETUJISGSA-N -1 1 352.456 2.680 20 30 FFEDMM N#CCCN(C(=O)CN1CCC[C@@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000819090786 597071001 /nfs/dbraw/zinc/07/10/01/597071001.db2.gz CCBVORDWTKIBGI-AWEZNQCLSA-N -1 1 363.845 2.773 20 30 FFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000819847039 597653871 /nfs/dbraw/zinc/65/38/71/597653871.db2.gz JMXRSGYHAJHKAS-GFCCVEGCSA-N -1 1 361.579 2.751 20 30 FFEDMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(OCC#N)cc1 ZINC000736821194 599927526 /nfs/dbraw/zinc/92/75/26/599927526.db2.gz CGKMCJZAKGQJBN-MRXNPFEDSA-N -1 1 365.433 2.998 20 30 FFEDMM N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000739105333 600564154 /nfs/dbraw/zinc/56/41/54/600564154.db2.gz KJUHOTQHXKEBOT-LJQANCHMSA-N -1 1 364.401 2.984 20 30 FFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000739105396 600565422 /nfs/dbraw/zinc/56/54/22/600565422.db2.gz LVTAPHLTDQRYAM-KRWDZBQOSA-N -1 1 369.446 2.594 20 30 FFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000738363953 601033606 /nfs/dbraw/zinc/03/36/06/601033606.db2.gz PHHJQOQKMBOPGZ-SJORKVTESA-N -1 1 357.454 2.735 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C#N ZINC000832849681 601949796 /nfs/dbraw/zinc/94/97/96/601949796.db2.gz PFWDAJMFDXCNKT-FQEVSTJZSA-N -1 1 372.469 2.827 20 30 FFEDMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000828493754 601960795 /nfs/dbraw/zinc/96/07/95/601960795.db2.gz JPHITBBYYBTPDH-MGPUTAFESA-N -1 1 365.433 2.501 20 30 FFEDMM N#Cc1ccc([C@H](O)C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000833072112 602041678 /nfs/dbraw/zinc/04/16/78/602041678.db2.gz KPSXYKOUSPSNBS-QGZVFWFLSA-N -1 1 360.797 2.537 20 30 FFEDMM N#Cc1ccc([C@H](O)C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000833072112 602041686 /nfs/dbraw/zinc/04/16/86/602041686.db2.gz KPSXYKOUSPSNBS-QGZVFWFLSA-N -1 1 360.797 2.537 20 30 FFEDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1OCC#N ZINC000760361372 602119162 /nfs/dbraw/zinc/11/91/62/602119162.db2.gz UWGLTARGUBHDMX-UHFFFAOYSA-N -1 1 364.354 2.536 20 30 FFEDMM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000739015091 602445101 /nfs/dbraw/zinc/44/51/01/602445101.db2.gz JJLDIHKCXSGPOT-HOTGVXAUSA-N -1 1 372.469 2.690 20 30 FFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000833072369 604506660 /nfs/dbraw/zinc/50/66/60/604506660.db2.gz SJINCGCRJVQUKJ-IBGZPJMESA-N -1 1 353.397 2.641 20 30 FFEDMM COc1cc(OC)c(OC)cc1CN=Nc1ccc(C(=O)[O-])cc1OC ZINC000756898982 604630812 /nfs/dbraw/zinc/63/08/12/604630812.db2.gz KLKRRUUJJOGGJW-UHFFFAOYSA-N -1 1 360.366 2.865 20 30 FFEDMM N#C[C@@H](C(=O)c1cnc(NC(=O)[O-])cn1)c1nc2ccccc2n1C(F)F ZINC000833961144 606012850 /nfs/dbraw/zinc/01/28/50/606012850.db2.gz OQYQQGVYAOPBAQ-QMMMGPOBSA-N -1 1 372.291 2.801 20 30 FFEDMM N#CC(C(=O)c1cnc(NC(=O)[O-])cn1)c1nc2ccccc2n1C(F)F ZINC000833961144 606012853 /nfs/dbraw/zinc/01/28/53/606012853.db2.gz OQYQQGVYAOPBAQ-QMMMGPOBSA-N -1 1 372.291 2.801 20 30 FFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000822924251 606391553 /nfs/dbraw/zinc/39/15/53/606391553.db2.gz ZLSRGNMEUSLULX-RJRFIUFISA-N -1 1 367.312 2.944 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(-c3ccncc3)cc2F)o1 ZINC000826322870 607783391 /nfs/dbraw/zinc/78/33/91/607783391.db2.gz FHKWASHLPFOCOC-UHFFFAOYSA-N -1 1 364.344 2.810 20 30 FFEDMM Cc1cc(C)n(N=Cc2cc(Cl)ccc2Cl)c(=O)c1-c1nn[n-]n1 ZINC000826265896 607807753 /nfs/dbraw/zinc/80/77/53/607807753.db2.gz RWHRQXKCXKAINT-UHFFFAOYSA-N -1 1 363.208 2.834 20 30 FFEDMM COc1cc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1F ZINC000826177742 608228882 /nfs/dbraw/zinc/22/88/82/608228882.db2.gz SQXSQLAXOBAFKL-UHFFFAOYSA-N -1 1 359.365 2.962 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3[nH]c4ccc(C)cc4c3C2)o1 ZINC000826293504 609411647 /nfs/dbraw/zinc/41/16/47/609411647.db2.gz RDCSJXYZWDIWPR-UHFFFAOYSA-N -1 1 362.397 2.910 20 30 FFEDMM N#C[C@@H](C(=O)C1=COCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000158392387 728887698 /nfs/dbraw/zinc/88/76/98/728887698.db2.gz ADMQTOYLQDLWMH-LBPRGKRZSA-N -1 1 355.419 2.734 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)c(F)c2)c(=O)o1 ZINC000121705515 728636735 /nfs/dbraw/zinc/63/67/35/728636735.db2.gz GDROWWYNOXNTHH-KQIUPUNMSA-N -1 1 353.143 2.816 20 30 FFEDMM C#Cc1cccc(NC(=S)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)c1 ZINC000899666465 735541216 /nfs/dbraw/zinc/54/12/16/735541216.db2.gz KIZOEQMQZBGQFJ-AWEZNQCLSA-N -1 1 354.435 2.706 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCC(F)(F)F)c2)c(=O)o1 ZINC000128010022 728707841 /nfs/dbraw/zinc/70/78/41/728707841.db2.gz FFWDVHVZBADWFZ-LLYBFZRZSA-N -1 1 354.280 2.856 20 30 FFEDMM Cc1cccc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c1Br ZINC000901773841 735837243 /nfs/dbraw/zinc/83/72/43/735837243.db2.gz YFCIFDJFEAQIKE-VIFPVBQESA-N -1 1 371.178 2.880 20 30 FFEDMM C#CCC1(C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000856417129 730335266 /nfs/dbraw/zinc/33/52/66/730335266.db2.gz HSYANHQGDVGCHH-KGLIPLIRSA-N -1 1 358.404 2.876 20 30 FFEDMM CC(C)(CC#N)CS(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000649780361 730919517 /nfs/dbraw/zinc/91/95/17/730919517.db2.gz YVLKVEBURCJZLS-UHFFFAOYSA-N -1 1 364.467 2.557 20 30 FFEDMM Cc1nnnn1-c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000651380688 731081351 /nfs/dbraw/zinc/08/13/51/731081351.db2.gz BYEMPMHTGJPLSW-CQSZACIVSA-N -1 1 350.407 2.795 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000775384407 738089345 /nfs/dbraw/zinc/08/93/45/738089345.db2.gz JDUXUTDVXHACPE-OAHLLOKOSA-N -1 1 356.447 2.856 20 30 FFEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000870692148 731545461 /nfs/dbraw/zinc/54/54/61/731545461.db2.gz XOYPYQPFAOCXRK-JTQLQIEISA-N -1 1 350.300 2.515 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000872489387 731779452 /nfs/dbraw/zinc/77/94/52/731779452.db2.gz UCUVXQGSJVYWHS-LRTDBIEQSA-N -1 1 362.904 2.745 20 30 FFEDMM C=CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1 ZINC000666199999 732817260 /nfs/dbraw/zinc/81/72/60/732817260.db2.gz JDDDLMRGAOCSRR-ZDUSSCGKSA-N -1 1 367.471 2.887 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccccc1 ZINC000882304705 733206293 /nfs/dbraw/zinc/20/62/93/733206293.db2.gz LFCBEUOOGDUGMO-ZHRRBRCNSA-N -1 1 354.497 2.626 20 30 FFEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@@H]1CCSC1 ZINC000782177661 738695089 /nfs/dbraw/zinc/69/50/89/738695089.db2.gz RSXUVBGPPOMPKJ-JTQLQIEISA-N -1 1 352.441 2.610 20 30 FFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2CN2CCSCC2)c1 ZINC000886422314 733788492 /nfs/dbraw/zinc/78/84/92/733788492.db2.gz KSMTZRGWYQLAKV-UHFFFAOYSA-N -1 1 373.503 2.908 20 30 FFEDMM C#CCC1(NC(=O)c2ccc(I)c([O-])c2)CCC1 ZINC000886794487 733836295 /nfs/dbraw/zinc/83/62/95/733836295.db2.gz UKWVHYNCGRUSQV-UHFFFAOYSA-N -1 1 355.175 2.673 20 30 FFEDMM O=C([O-])COc1ccc(CN=Nc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000735614852 734953065 /nfs/dbraw/zinc/95/30/65/734953065.db2.gz DDNQNERAQNSDOW-UHFFFAOYSA-N -1 1 351.265 2.782 20 30 FFEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=N[N-]c1cncc(Cl)n1 ZINC000735613003 734953184 /nfs/dbraw/zinc/95/31/84/734953184.db2.gz UTTJPIJGHLBGLB-UHFFFAOYSA-N -1 1 366.606 2.969 20 30 FFEDMM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1F ZINC000740811380 735089476 /nfs/dbraw/zinc/08/94/76/735089476.db2.gz DVZRYQMTCMMXHV-UHFFFAOYSA-N -1 1 363.370 2.985 20 30 FFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)c1 ZINC000747609318 735573663 /nfs/dbraw/zinc/57/36/63/735573663.db2.gz RJVUWZPJLDHUPF-UHFFFAOYSA-N -1 1 365.382 2.978 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(OC(F)F)cc1 ZINC000748255520 735631080 /nfs/dbraw/zinc/63/10/80/735631080.db2.gz XQJAHGWONCFVHD-UHFFFAOYSA-N -1 1 371.321 2.509 20 30 FFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCc3ccc(F)cc32)cc1 ZINC000748786823 735671613 /nfs/dbraw/zinc/67/16/13/735671613.db2.gz UWMORFBSCMHYHI-UHFFFAOYSA-N -1 1 363.370 2.504 20 30 FFEDMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)c1 ZINC000901605934 735802607 /nfs/dbraw/zinc/80/26/07/735802607.db2.gz XWIJWKQEBQHPFA-UHFFFAOYSA-N -1 1 360.435 2.969 20 30 FFEDMM N#CC[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)C(F)(F)F ZINC000901776281 735837619 /nfs/dbraw/zinc/83/76/19/735837619.db2.gz YREYGCXYSHGLNG-SECBINFHSA-N -1 1 362.251 2.708 20 30 FFEDMM C#C[C@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000754358287 736150710 /nfs/dbraw/zinc/15/07/10/736150710.db2.gz WTAVEIZEDBZQEJ-MRXNPFEDSA-N -1 1 356.447 2.937 20 30 FFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000754705493 736189977 /nfs/dbraw/zinc/18/99/77/736189977.db2.gz RVAHNEHMZFQDOJ-UHFFFAOYSA-N -1 1 370.722 2.940 20 30 FFEDMM O=S1(=O)[N-]C(=NN=Cc2cccn2Cc2cccs2)c2ccccc21 ZINC000755639062 736267159 /nfs/dbraw/zinc/26/71/59/736267159.db2.gz CTLRYJZGNYRVOK-UHFFFAOYSA-N -1 1 370.459 2.671 20 30 FFEDMM NC(=O)c1n[nH]c2ccc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc21 ZINC000760230743 736623363 /nfs/dbraw/zinc/62/33/63/736623363.db2.gz ZRIXOAORPFNOOK-UHFFFAOYSA-N -1 1 359.729 2.680 20 30 FFEDMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000764449750 737018637 /nfs/dbraw/zinc/01/86/37/737018637.db2.gz RRXIRBWQPMWHHW-UHFFFAOYSA-N -1 1 354.431 2.725 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000766060759 737188955 /nfs/dbraw/zinc/18/89/55/737188955.db2.gz VNJKHTKUROATGH-JTQLQIEISA-N -1 1 366.830 2.674 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CCSc3c(F)cccc32)c2ccccc21 ZINC000914599318 737585921 /nfs/dbraw/zinc/58/59/21/737585921.db2.gz CXWWKHMVKDHUNX-UHFFFAOYSA-N -1 1 361.423 2.764 20 30 FFEDMM C=CCCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000915072815 737605682 /nfs/dbraw/zinc/60/56/82/737605682.db2.gz GQWQNAGXGUUXQB-NRFANRHFSA-N -1 1 356.391 2.834 20 30 FFEDMM C=C(C)CC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916079993 737676348 /nfs/dbraw/zinc/67/63/48/737676348.db2.gz XFYDBAJXZRACKY-NRFANRHFSA-N -1 1 356.391 2.834 20 30 FFEDMM COc1c([O-])c(C=NNC(=S)N[C@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000773028404 737864600 /nfs/dbraw/zinc/86/46/00/737864600.db2.gz PPKQAEJVHMQCOL-JQWIXIFHSA-N -1 1 366.443 2.686 20 30 FFEDMM CON=CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000773712232 737930397 /nfs/dbraw/zinc/93/03/97/737930397.db2.gz JHZREHDKWXZRHM-UHFFFAOYSA-N -1 1 361.423 2.675 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NC([O-])=NO[C@H]2CCCCO2)n1 ZINC000775721841 738117408 /nfs/dbraw/zinc/11/74/08/738117408.db2.gz KFDIILVORBQJMN-HNNXBMFYSA-N -1 1 361.789 2.977 20 30 FFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[N-]O[C@H]2CCCCO2)n1 ZINC000775721841 738117409 /nfs/dbraw/zinc/11/74/09/738117409.db2.gz KFDIILVORBQJMN-HNNXBMFYSA-N -1 1 361.789 2.977 20 30 FFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000776260143 738175164 /nfs/dbraw/zinc/17/51/64/738175164.db2.gz YMWMLIYOCWJBTH-UHFFFAOYSA-N -1 1 369.349 2.717 20 30 FFEDMM COC(=O)CCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000786101349 739024777 /nfs/dbraw/zinc/02/47/77/739024777.db2.gz PMSWMHKOFFBXLO-UHFFFAOYSA-N -1 1 358.419 2.773 20 30 FFEDMM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)NC1(C#N)CCC1 ZINC000787695333 739159717 /nfs/dbraw/zinc/15/97/17/739159717.db2.gz IBUAGQGILHUEBY-MRVPVSSYSA-N -1 1 357.193 2.807 20 30 FFEDMM CCCCCCCS(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799821293 740455072 /nfs/dbraw/zinc/45/50/72/740455072.db2.gz OPAAOZKQEWWDFS-UHFFFAOYSA-N -1 1 372.453 2.677 20 30 FFEDMM C#C[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(F)cc1 ZINC000812753159 741650027 /nfs/dbraw/zinc/65/00/27/741650027.db2.gz ZXQFFYOAWAXGIM-OAHLLOKOSA-N -1 1 359.426 2.775 20 30 FFEDMM Cc1cc(C)c(C(=O)[O-])cc1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000814780784 741863994 /nfs/dbraw/zinc/86/39/94/741863994.db2.gz JJGKIBFSGFPORI-UHFFFAOYSA-N -1 1 353.403 2.882 20 30 FFEDMM O=S1(=O)[N-]C(=NN=C2CC(c3cc(F)cc(F)c3)C2)c2ccccc21 ZINC000814798876 741866219 /nfs/dbraw/zinc/86/62/19/741866219.db2.gz PGICZKWRZBVWSO-UHFFFAOYSA-N -1 1 361.373 2.937 20 30 FFEDMM CC(C)(C#N)[C@H]1CCCC1=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000814864337 741871019 /nfs/dbraw/zinc/87/10/19/741871019.db2.gz AODOSJFURHUIRO-NSHDSACASA-N -1 1 350.400 2.579 20 30 FFEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831069121 745475862 /nfs/dbraw/zinc/47/58/62/745475862.db2.gz JBGFTVRFMBEQGH-UHFFFAOYSA-N -1 1 352.199 2.730 20 30 FFEDMM C#CCN(C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1)C1CC1 ZINC000836745020 746295924 /nfs/dbraw/zinc/29/59/24/746295924.db2.gz KRWOHYNVRJKENH-UHFFFAOYSA-N -1 1 353.344 2.803 20 30 FFEDMM C#CCO[N-]C(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC000844145199 747977982 /nfs/dbraw/zinc/97/79/82/747977982.db2.gz YVZGTCWAAVCYMG-LBPRGKRZSA-N -1 1 371.218 2.931 20 30 FFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=S)Nc1ccccc1C#N ZINC000848652690 748977085 /nfs/dbraw/zinc/97/70/85/748977085.db2.gz AWTIKXQZKTURQN-ZYHUDNBSSA-N -1 1 370.400 2.786 20 30 FFEDMM Cc1ccc(C(=O)NCCC#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000490670666 845920153 /nfs/dbraw/zinc/92/01/53/845920153.db2.gz GQNKOVPGACHQLS-UHFFFAOYSA-N -1 1 361.398 2.578 20 30 FFEDMM Cc1nc(N)ncc1Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001175666186 1013533281 /nfs/dbraw/zinc/53/32/81/1013533281.db2.gz NSXCRGSVJFVKQW-CNHKJKLMSA-N -1 1 353.411 2.646 20 30 FFEDMM N#C[C@@H](C(=O)CC[C@@H]1CCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000176083566 965184307 /nfs/dbraw/zinc/18/43/07/965184307.db2.gz HFSIJKAGFNFFJK-YPMHNXCESA-N -1 1 371.462 2.856 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1[O-] ZINC000190035481 970225848 /nfs/dbraw/zinc/22/58/48/970225848.db2.gz AKMBAZNTERBXGF-UHFFFAOYSA-N -1 1 353.397 2.751 20 30 FFEDMM C[C@@H](C#N)CNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875475368 1014031877 /nfs/dbraw/zinc/03/18/77/1014031877.db2.gz AYGNPHCYRHJREG-NWDGAFQWSA-N -1 1 368.359 2.528 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001211683468 975159351 /nfs/dbraw/zinc/15/93/51/975159351.db2.gz FXMLRBCQEWJCQW-JOYOIKCWSA-N -1 1 351.255 2.648 20 30 FFEDMM Cc1nc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c(C#N)c(C)c1C ZINC001167935080 978187653 /nfs/dbraw/zinc/18/76/53/978187653.db2.gz OFXCCHWTMJXJQV-UHFFFAOYSA-N -1 1 357.350 2.963 20 30 FFEDMM N#Cc1cc([N+](=O)[O-])ccc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167936648 978203628 /nfs/dbraw/zinc/20/36/28/978203628.db2.gz KOLACMFVAYURBH-UHFFFAOYSA-N -1 1 359.278 2.551 20 30 FFEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2coc(C(N)=O)c2)cc1 ZINC000760182770 980184874 /nfs/dbraw/zinc/18/48/74/980184874.db2.gz HPLGJWRYPBCPIB-XHDPSFHLSA-N -1 1 353.378 2.853 20 30 FFEDMM C#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)O)cc2)cc1 ZINC000765393095 985060100 /nfs/dbraw/zinc/06/01/00/985060100.db2.gz UNCSGGKHOWSUES-CQSZACIVSA-N -1 1 373.430 2.721 20 30 FFEDMM COC(=O)c1ccc(-c2ccc(C=NNc3nc(C)cc(=O)[n-]3)o2)cc1 ZINC000916242111 989766523 /nfs/dbraw/zinc/76/65/23/989766523.db2.gz BBCRBADWOBHYMV-UHFFFAOYSA-N -1 1 352.350 2.983 20 30 FFEDMM CCCn1c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)nc2ccccc21 ZINC000917547832 990238858 /nfs/dbraw/zinc/23/88/58/990238858.db2.gz DMUJQLTZOHVUSB-UHFFFAOYSA-N -1 1 367.434 2.519 20 30 FFEDMM C[C@H](OCC1CC1)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000068335999 991394769 /nfs/dbraw/zinc/39/47/69/991394769.db2.gz STOXZWFZSZDHRC-GXFFZTMASA-N -1 1 371.462 2.855 20 30 FFEDMM CCc1cc2c(COC(=O)c3cccc(C#N)n3)cc(=O)oc2cc1[O-] ZINC000811250912 995069823 /nfs/dbraw/zinc/06/98/23/995069823.db2.gz FQMDFAMHAWKBGK-UHFFFAOYSA-N -1 1 350.330 2.685 20 30 FFEDMM COC(=O)c1cc(CN=Nc2cccc(F)c2C(=O)[O-])n2c1CCCC2 ZINC001598928591 997698407 /nfs/dbraw/zinc/69/84/07/997698407.db2.gz TXUWDSMLMZEWOI-UHFFFAOYSA-N -1 1 359.357 2.894 20 30 FFEDMM Cc1cc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c(C)n1-c1ccc(C)cc1 ZINC000731158119 997720499 /nfs/dbraw/zinc/72/04/99/997720499.db2.gz ZYWRTPGXOMCVFN-UHFFFAOYSA-N -1 1 361.409 2.594 20 30 FFEDMM C#CCCNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000733355982 998970074 /nfs/dbraw/zinc/97/00/74/998970074.db2.gz HKQYDNYDSFIJGQ-UHFFFAOYSA-N -1 1 371.462 2.652 20 30 FFEDMM COc1ccccc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nccn1C ZINC000785487216 1000016686 /nfs/dbraw/zinc/01/66/86/1000016686.db2.gz CCPLFQHAIYIQOV-SFHVURJKSA-N -1 1 362.389 2.525 20 30 FFEDMM C#C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000769644388 1000556604 /nfs/dbraw/zinc/55/66/04/1000556604.db2.gz HNSPBFRPPSZCJB-AWEZNQCLSA-N -1 1 372.446 2.590 20 30 FFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2(C#N)CCOCC2)c([O-])c1 ZINC000769858055 1000614187 /nfs/dbraw/zinc/61/41/87/1000614187.db2.gz DZBJCSJADLNOKM-UHFFFAOYSA-N -1 1 361.398 2.542 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000788288951 1001786766 /nfs/dbraw/zinc/78/67/66/1001786766.db2.gz ROGOQIJJDJLVCJ-CYBMUJFWSA-N -1 1 359.426 2.641 20 30 FFEDMM C=C(Cl)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001086585477 1002334382 /nfs/dbraw/zinc/33/43/82/1002334382.db2.gz ZSKYRPLQWKBRLR-JKSUJKDBSA-N -1 1 357.841 2.738 20 30 FFEDMM Cn1[n-]cc2c(=NC(=O)c3occc3COc3cccc(C#N)c3)ccnc1-2 ZINC000791168566 1002605049 /nfs/dbraw/zinc/60/50/49/1002605049.db2.gz YYDOOUGDSILZCV-UHFFFAOYSA-N -1 1 373.372 2.638 20 30 FFEDMM Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C#N)nc2)cc1C(=O)[O-] ZINC001184663514 1002679611 /nfs/dbraw/zinc/67/96/11/1002679611.db2.gz JEIBNXHKSKKVFF-UHFFFAOYSA-N -1 1 359.407 2.690 20 30 FFEDMM N#Cc1c(F)ccc([N-]S(=O)(=O)c2cncc(Br)c2)c1F ZINC001186412346 1003305301 /nfs/dbraw/zinc/30/53/01/1003305301.db2.gz TYGLXYRGROJMMD-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(Br)n1 ZINC001196203125 1003701173 /nfs/dbraw/zinc/70/11/73/1003701173.db2.gz CGOZHVMPDBGWCL-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM COc1ccc2nc([N-]C(=O)c3cc(-c4cccc(C#N)c4)on3)nnc2c1 ZINC001196756955 1003951845 /nfs/dbraw/zinc/95/18/45/1003951845.db2.gz XHLNAESKIFGXMM-UHFFFAOYSA-N -1 1 372.344 2.812 20 30 FFEDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3CC#N)c2)o1 ZINC001192267488 1004111075 /nfs/dbraw/zinc/11/10/75/1004111075.db2.gz VCGDGWZEPJYQSJ-UHFFFAOYSA-N -1 1 354.391 2.912 20 30 FFEDMM N#Cc1ccc(-c2ccc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)o2)cc1 ZINC001197402079 1004196523 /nfs/dbraw/zinc/19/65/23/1004196523.db2.gz VNNFBILEVLCYMW-UHFFFAOYSA-N -1 1 362.341 2.842 20 30 FFEDMM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1c(F)ccc([O-])c1F)CC2 ZINC001192526809 1004197320 /nfs/dbraw/zinc/19/73/20/1004197320.db2.gz OKYKHQXEWXPWNS-LJQANCHMSA-N -1 1 364.392 2.844 20 30 FFEDMM CC(C)(C)OC(=O)N=c1[nH]c2cc([N-]S(=O)(=O)CC#N)ccc2s1 ZINC001192985411 1004333691 /nfs/dbraw/zinc/33/36/91/1004333691.db2.gz DALCXYNQWNXIPX-UHFFFAOYSA-N -1 1 368.440 2.909 20 30 FFEDMM Cc1cn(-c2cc([N-]S(=O)(=O)[C@H](C)C#N)cc(C(F)(F)F)c2)cn1 ZINC001193151239 1004390977 /nfs/dbraw/zinc/39/09/77/1004390977.db2.gz ONFVSDYCKQYALH-SNVBAGLBSA-N -1 1 358.345 2.853 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1[C@@H]1Cc3ccccc3CN1CC2 ZINC001193151289 1004391757 /nfs/dbraw/zinc/39/17/57/1004391757.db2.gz PINJVVCRDSIZPG-LIRRHRJNSA-N -1 1 367.474 2.996 20 30 FFEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000747395138 1004576003 /nfs/dbraw/zinc/57/60/03/1004576003.db2.gz FUBXVPPCOWRYPO-ZDUSSCGKSA-N -1 1 372.450 2.824 20 30 FFEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 ZINC001194317325 1004702720 /nfs/dbraw/zinc/70/27/20/1004702720.db2.gz FDUUGFRVUOJWIP-GFCCVEGCSA-N -1 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C=C(C)CN(CC)C(=O)COC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801416996 1018961727 /nfs/dbraw/zinc/96/17/27/1018961727.db2.gz VVDOPFHWNBGBHV-UHFFFAOYSA-N -1 1 371.437 2.776 20 30 FFEDMM CN1CCN(c2ccc(/C=C3\CCc4occ(C(=O)[O-])c4C3=O)cc2)CC1 ZINC000901513701 1019165100 /nfs/dbraw/zinc/16/51/00/1019165100.db2.gz BJASSYTXHBKXRD-NTCAYCPXSA-N -1 1 366.417 2.942 20 30 FFEDMM N#CC[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(F)(F)F ZINC000932925287 1020925496 /nfs/dbraw/zinc/92/54/96/1020925496.db2.gz OPJBBTPMNFQGDH-CQSZACIVSA-N -1 1 369.343 2.841 20 30 FFEDMM COc1cnc([C@H]2CCCN2C(=O)Nc2cccc(CC#N)c2)[n-]c1=O ZINC001218102401 1032995508 /nfs/dbraw/zinc/99/55/08/1032995508.db2.gz AEXKCXZAEWNMDH-CQSZACIVSA-N -1 1 353.382 2.626 20 30 FFEDMM O=S1(=O)[N-]/C(=N/C[C@H](OC2CCCC2)C(F)(F)F)c2ccccc21 ZINC001118601106 1022309331 /nfs/dbraw/zinc/30/93/31/1022309331.db2.gz VWIXIEFPTBLQLF-ZDUSSCGKSA-N -1 1 362.373 2.615 20 30 FFEDMM O=S1(=O)[N-]/C(=N/C[C@@H](OC2CCCC2)C(F)(F)F)c2ccccc21 ZINC001118601105 1022310220 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FFEDMM C#C[C@H]1CCCCN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CC(C)C ZINC001122685012 1023412363 /nfs/dbraw/zinc/41/23/63/1023412363.db2.gz SADATUWEDOXVMR-HNNXBMFYSA-N -1 1 366.469 2.966 20 30 FFEDMM C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2cccc(F)c2[O-])C1=O ZINC000755609234 1023614737 /nfs/dbraw/zinc/61/47/37/1023614737.db2.gz PTBBANRXKKSVSX-IBGZPJMESA-N -1 1 355.369 2.809 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001121660202 1023909747 /nfs/dbraw/zinc/90/97/47/1023909747.db2.gz NQVKKYYPYCOATK-AWEZNQCLSA-N -1 1 368.416 2.768 20 30 FFEDMM C=C1CCN(c2nnc(-c3cnc(-c4cccnc4)[n-]c3=O)n2CC)CC1 ZINC001121766116 1023990740 /nfs/dbraw/zinc/99/07/40/1023990740.db2.gz FXNAVDBZGANZNN-UHFFFAOYSA-N -1 1 363.425 2.679 20 30 FFEDMM N#Cc1ccc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)nc1Cl ZINC001159272427 1027332917 /nfs/dbraw/zinc/33/29/17/1027332917.db2.gz MTZXHZNQZVOEEM-UHFFFAOYSA-N -1 1 353.712 2.540 20 30 FFEDMM Cc1noc(NC(=O)c2cnc3cc(Br)ccc3c2[O-])c1C#N ZINC001153873256 1028038372 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FFEDMM CCOC(=O)CN(c1nc(SC)nc(Cl)c1/C=N/[O-])C1CCCC1 ZINC001157879108 1029679465 /nfs/dbraw/zinc/67/94/65/1029679465.db2.gz QIYYENNCFBSUKR-CAOOACKPSA-N -1 1 372.878 2.972 20 30 FFEDMM COC(=O)c1ccc(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3C#N)C2)[n-]1 ZINC000797142229 1031007258 /nfs/dbraw/zinc/00/72/58/1031007258.db2.gz AFRYJFREZLQMIZ-CQSZACIVSA-N -1 1 371.368 2.638 20 30 FFEDMM O=S1(=O)[N-]/C(=N/CCc2nc(C3CCCCCC3)no2)c2ccccc21 ZINC000843318977 1031315198 /nfs/dbraw/zinc/31/51/98/1031315198.db2.gz IRPXREVJIMSPNF-UHFFFAOYSA-N -1 1 374.466 2.789 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cn3ccc(Br)cc3n2)c([O-])c1 ZINC001149964736 1031630474 /nfs/dbraw/zinc/63/04/74/1031630474.db2.gz XCNHWBFOCXXTMJ-UHFFFAOYSA-N -1 1 357.167 2.926 20 30 FFEDMM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(OCC[P@](=O)([O-])O)[C@@H]12 ZINC001224601599 1033948558 /nfs/dbraw/zinc/94/85/58/1033948558.db2.gz INUJWAWETJPPJQ-QBYUYEEZSA-N -1 1 356.355 2.558 20 30 FFEDMM COc1cnc(C(C)(C)NC(=O)Nc2ccc(C#N)cc2C2CC2)[n-]c1=O ZINC001220290516 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UDNYMFPWEKOPOD-GWCFXTLKSA-N -1 1 373.438 2.825 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cccc(CC#N)c1 ZINC001140935185 1036478717 /nfs/dbraw/zinc/47/87/17/1036478717.db2.gz FWTITZMIOUQSEF-UHFFFAOYSA-N -1 1 359.389 2.800 20 30 FFEDMM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c([O-])ccc(F)c1F ZINC001233332934 1036539366 /nfs/dbraw/zinc/53/93/66/1036539366.db2.gz CSEWOIOPHJLDRL-OAHLLOKOSA-N -1 1 364.396 2.584 20 30 FFEDMM C=C[C@@H]1O[C@@H](Oc2cc([O-])c(O)cc2C(=O)CCC)[C@H]2OC(C)(C)O[C@@H]12 ZINC001233496384 1036662118 /nfs/dbraw/zinc/66/21/18/1036662118.db2.gz SNQIVXQXUAVIRO-DKIMLUQUSA-N -1 1 364.394 2.890 20 30 FFEDMM COc1cc([O-])cc(OC(=O)C[C@@H](C)O)c1C(=O)/C=C/c1ccccc1 ZINC001229528318 1036723726 /nfs/dbraw/zinc/72/37/26/1036723726.db2.gz ZXAAMQOUTLUWRB-MMQHEFTJSA-N -1 1 356.374 2.973 20 30 FFEDMM C#C[C@H]1CCC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229792873 1036902079 /nfs/dbraw/zinc/90/20/79/1036902079.db2.gz UMJNXFGIGOYMGJ-QFYYESIMSA-N -1 1 370.357 2.626 20 30 FFEDMM CC[C@H](C#CC(=O)OC)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229805915 1036909196 /nfs/dbraw/zinc/90/91/96/1036909196.db2.gz PWZJIAVSHPIFRC-GFCCVEGCSA-N -1 1 368.341 2.691 20 30 FFEDMM CC[C@H](C#CC(=O)OC)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234744653 1037162100 /nfs/dbraw/zinc/16/21/00/1037162100.db2.gz WHJWNSVYGASUAW-GFCCVEGCSA-N -1 1 368.341 2.691 20 30 FFEDMM CC[N@H+]1CC[C@@H](Oc2c(C#N)c(C#N)c([O-])c3cccc([N+](=O)[O-])c32)C1 ZINC001231228507 1037505081 /nfs/dbraw/zinc/50/50/81/1037505081.db2.gz RWTRIHGBWQQDRW-LLVKDONJSA-N -1 1 352.350 2.670 20 30 FFEDMM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cc(C(=O)[O-])ccc1F)CC2 ZINC001276611049 1038649077 /nfs/dbraw/zinc/64/90/77/1038649077.db2.gz IVNLHSXUHWZARW-INIZCTEOSA-N -1 1 360.429 2.818 20 30 FFEDMM CCCCC[C@H](CCC)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001258667269 1039480157 /nfs/dbraw/zinc/48/01/57/1039480157.db2.gz LWVPFMXPYPYNIN-UONOGXRCSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCC[C@H](CCC)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001258667269 1039480161 /nfs/dbraw/zinc/48/01/61/1039480161.db2.gz LWVPFMXPYPYNIN-UONOGXRCSA-N -1 1 356.469 2.751 20 30 FFEDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1)C(=O)C2 ZINC001258986938 1039641867 /nfs/dbraw/zinc/64/18/67/1039641867.db2.gz LIWAOCURUIUWEO-PIGZYNQJSA-N -1 1 368.405 2.974 20 30 FFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1C#N ZINC001259157228 1039751543 /nfs/dbraw/zinc/75/15/43/1039751543.db2.gz QFYPTADJGPRLPB-UHFFFAOYSA-N -1 1 366.402 2.866 20 30 FFEDMM N#Cc1cnc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Br)c1 ZINC001259306255 1039896166 /nfs/dbraw/zinc/89/61/66/1039896166.db2.gz NJEZYYQEOCATAS-UHFFFAOYSA-N -1 1 374.166 2.795 20 30 FFEDMM N#Cc1ncc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1Cl ZINC001259363147 1039941972 /nfs/dbraw/zinc/94/19/72/1039941972.db2.gz DYGQVDACGCOCAX-UHFFFAOYSA-N -1 1 359.798 2.593 20 30 FFEDMM CC(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259417065 1039986082 /nfs/dbraw/zinc/98/60/82/1039986082.db2.gz DMRLYZPJMMFLMM-UHFFFAOYSA-N -1 1 361.398 2.636 20 30 FFEDMM CC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc21 ZINC001259418597 1039987248 /nfs/dbraw/zinc/98/72/48/1039987248.db2.gz HHVDTTXAAJHAQL-UHFFFAOYSA-N -1 1 373.409 2.797 20 30 FFEDMM Cc1cc(C(=O)N(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417476 1039988433 /nfs/dbraw/zinc/98/84/33/1039988433.db2.gz KRKXIERONGOCQO-UHFFFAOYSA-N -1 1 361.398 2.508 20 30 FFEDMM C[C@H]1Cc2cc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)ccc2N(C)C1=O ZINC001259419857 1039989660 /nfs/dbraw/zinc/98/96/60/1039989660.db2.gz WVTCQXBTVQCAIN-NSHDSACASA-N -1 1 373.409 2.653 20 30 FFEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)CCC(F)(F)F)c(F)c1 ZINC001259871674 1040261037 /nfs/dbraw/zinc/26/10/37/1040261037.db2.gz SSSOHHDXOKHGPR-UHFFFAOYSA-N -1 1 355.309 2.863 20 30 FFEDMM C=C[C@H]1C[C@]1([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)OCC ZINC001260473002 1040616164 /nfs/dbraw/zinc/61/61/64/1040616164.db2.gz OLCDRBMGEGDXDU-JVXZTZIISA-N -1 1 370.279 2.841 20 30 FFEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c(C)cc(C#N)cc3C)ccc21 ZINC001260796973 1040803560 /nfs/dbraw/zinc/80/35/60/1040803560.db2.gz PSLKTTNGMVZMDW-UHFFFAOYSA-N -1 1 369.446 2.885 20 30 FFEDMM CN1CCN(c2ccc(Nc3cc(CC(=O)[O-])ccc3F)cc2C#N)CC1 ZINC001216680956 1042093450 /nfs/dbraw/zinc/09/34/50/1042093450.db2.gz IZOYQWYJAGZEFJ-UHFFFAOYSA-N -1 1 368.412 2.820 20 30 FFEDMM Cn1cc(CN2CCC23CN(Cc2c([O-])ccc(F)c2Cl)C3)cc1C#N ZINC001279683804 1043463972 /nfs/dbraw/zinc/46/39/72/1043463972.db2.gz JGGGOXPQCKIAND-UHFFFAOYSA-N -1 1 374.847 2.855 20 30 FFEDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1cc2cnccc2o1 ZINC001309795885 1043530342 /nfs/dbraw/zinc/53/03/42/1043530342.db2.gz XRMBEVNNIJVLJI-JTQLQIEISA-N -1 1 372.362 2.647 20 30 FFEDMM N#Cc1cc(-c2cc(N3CCOCC3)nc(C(F)(F)F)n2)ccc1[O-] ZINC001242562348 1044751746 /nfs/dbraw/zinc/75/17/46/1044751746.db2.gz UBCNVLJPYMGLFR-UHFFFAOYSA-N -1 1 350.300 2.576 20 30 FFEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001319039115 1044998247 /nfs/dbraw/zinc/99/82/47/1044998247.db2.gz XXKBXGDHPOFWRA-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001321139501 1045559281 /nfs/dbraw/zinc/55/92/81/1045559281.db2.gz NPYAYORZGBHERG-UHFFFAOYSA-N -1 1 358.419 2.659 20 30 FFEDMM C[C@H](C(=O)N=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)s1 ZINC001323580347 1045647097 /nfs/dbraw/zinc/64/70/97/1045647097.db2.gz RYMJLBFYYDDHQC-QMMMGPOBSA-N -1 1 354.840 2.770 20 30 FFEDMM N#Cc1ccc(Oc2cccc(C(=O)NC3(c4nn[n-]n4)CCC3)c2)cc1 ZINC000737720884 1048657797 /nfs/dbraw/zinc/65/77/97/1048657797.db2.gz APUVUZGUQKZZPG-UHFFFAOYSA-N -1 1 360.377 2.673 20 30 FFEDMM C#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001296314707 1050048315 /nfs/dbraw/zinc/04/83/15/1050048315.db2.gz MBBYTULLOPZIOA-UHFFFAOYSA-N -1 1 362.838 2.846 20 30 FFEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001341868295 1050476465 /nfs/dbraw/zinc/47/64/65/1050476465.db2.gz LOYMGMPNBMTDBP-ZDUSSCGKSA-N -1 1 355.780 2.528 20 30 FFEDMM C=CCN1C(=O)c2ccc(C(=O)Nc3cc([O-])c(F)cc3F)cc2C1=O ZINC001298971379 1050566969 /nfs/dbraw/zinc/56/69/69/1050566969.db2.gz QVNFBQQYJFFPPF-UHFFFAOYSA-N -1 1 358.300 2.705 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1C1CCCCC1 ZINC001342020785 1050617817 /nfs/dbraw/zinc/61/78/17/1050617817.db2.gz JLGPYQHZRHVJEX-OAHLLOKOSA-N -1 1 356.478 2.507 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1C1CCCCC1 ZINC001342020785 1050617822 /nfs/dbraw/zinc/61/78/22/1050617822.db2.gz JLGPYQHZRHVJEX-OAHLLOKOSA-N -1 1 356.478 2.507 20 30 FFEDMM C=C(C)Cn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N1CCCC1 ZINC001342027307 1050626739 /nfs/dbraw/zinc/62/67/39/1050626739.db2.gz MAQANZNUKINWTQ-UHFFFAOYSA-N -1 1 363.425 2.679 20 30 FFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@H](OCC)C1 ZINC001340598160 1050984231 /nfs/dbraw/zinc/98/42/31/1050984231.db2.gz CGYPDQSPZRZHEJ-LBPRGKRZSA-N -1 1 363.849 2.890 20 30 FFEDMM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001302485758 1051122549 /nfs/dbraw/zinc/12/25/49/1051122549.db2.gz LJCAFXPEPOGXNP-UHFFFAOYSA-N -1 1 362.382 2.861 20 30 FFEDMM Cc1cc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)ncc1C#N ZINC001306830212 1052195624 /nfs/dbraw/zinc/19/56/24/1052195624.db2.gz GXKJSJCWOQWMCL-UHFFFAOYSA-N -1 1 354.757 2.658 20 30 FFEDMM Cc1cc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)ncc1C#N ZINC001306830212 1052195631 /nfs/dbraw/zinc/19/56/31/1052195631.db2.gz GXKJSJCWOQWMCL-UHFFFAOYSA-N -1 1 354.757 2.658 20 30 FFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C[C@@H](C)O)C1CC1 ZINC001343871590 1052462974 /nfs/dbraw/zinc/46/29/74/1052462974.db2.gz DMPVTWIEFRLPDA-LLVKDONJSA-N -1 1 363.849 2.625 20 30 FFEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCCC2(CCCCC2)C1 ZINC001346210414 1052789441 /nfs/dbraw/zinc/78/94/41/1052789441.db2.gz QOXMGBRRYISWTM-UHFFFAOYSA-N -1 1 356.478 2.509 20 30 FFEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCCC2(CCCCC2)C1 ZINC001346210414 1052789444 /nfs/dbraw/zinc/78/94/44/1052789444.db2.gz QOXMGBRRYISWTM-UHFFFAOYSA-N -1 1 356.478 2.509 20 30 FFEDMM COCCOCc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001348422898 1054685235 /nfs/dbraw/zinc/68/52/35/1054685235.db2.gz MHVOGPOARDSXMH-UHFFFAOYSA-N -1 1 360.435 2.716 20 30 FFEDMM C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2ncccc2[O-])C1 ZINC001348140651 1054689687 /nfs/dbraw/zinc/68/96/87/1054689687.db2.gz CIZMDOGKBJJYBY-YWZLYKJASA-N -1 1 357.454 2.502 20 30 FFEDMM C=CC(C)(C)Cc1nnc(N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)n1CC ZINC001356265096 1055423853 /nfs/dbraw/zinc/42/38/53/1055423853.db2.gz LJBOCUYXXIHDGY-CYBMUJFWSA-N -1 1 372.473 2.898 20 30 FFEDMM COc1ccc(CCNC(=S)Nc2scc([O-])c2C#N)cc1OC ZINC001200068450 1055583939 /nfs/dbraw/zinc/58/39/39/1055583939.db2.gz AEIHYPODDKAQCL-UHFFFAOYSA-N -1 1 363.464 2.872 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001338710494 1055750655 /nfs/dbraw/zinc/75/06/55/1055750655.db2.gz XLTUNWBOJRUIPN-RYUDHWBXSA-N -1 1 372.498 2.834 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(CC)CCC ZINC001338831643 1055855142 /nfs/dbraw/zinc/85/51/42/1055855142.db2.gz ZROQHIVYLRZVMG-UHFFFAOYSA-N -1 1 365.441 2.925 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2ccccc2[C@H](C)C1 ZINC001339689927 1056711369 /nfs/dbraw/zinc/71/13/69/1056711369.db2.gz JPLXUVBXOZNLGL-CYBMUJFWSA-N -1 1 350.426 2.726 20 30 FFEDMM N#Cc1cccc2c1CCN2C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001451861379 1059157297 /nfs/dbraw/zinc/15/72/97/1059157297.db2.gz OKQRGTWXFBQJPB-UHFFFAOYSA-N -1 1 351.312 2.881 20 30 FFEDMM C=C1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)C1 ZINC001300666988 1059240210 /nfs/dbraw/zinc/24/02/10/1059240210.db2.gz OZAQEHIOXMALMP-UHFFFAOYSA-N -1 1 360.410 2.947 20 30 FFEDMM C=CC1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2CCOC)CC1 ZINC001355349404 1060156657 /nfs/dbraw/zinc/15/66/57/1060156657.db2.gz CGURMZJXBFQIIX-UHFFFAOYSA-N -1 1 363.849 2.748 20 30 FFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC001475317600 1061044746 /nfs/dbraw/zinc/04/47/46/1061044746.db2.gz GRTQWPUCQCOROX-HNNXBMFYSA-N -1 1 361.822 2.736 20 30 FFEDMM C#CCCCCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001521985760 1061392330 /nfs/dbraw/zinc/39/23/30/1061392330.db2.gz BYQXKWOTYAZACD-IAGOWNOFSA-N -1 1 371.481 2.585 20 30 FFEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCCCCC#N)c2)n1 ZINC001531087492 1062693841 /nfs/dbraw/zinc/69/38/41/1062693841.db2.gz IPYPYGILLIQTCD-UHFFFAOYSA-N -1 1 369.425 2.739 20 30 FFEDMM N#Cc1c[n-]n2c1nc(CN1CCC(Cc3cccc(F)c3)CC1)cc2=O ZINC001473109210 1065201505 /nfs/dbraw/zinc/20/15/05/1065201505.db2.gz QWYXOECCIDOGSE-UHFFFAOYSA-N -1 1 365.412 2.900 20 30 FFEDMM N#CCCc1ccc(S(=O)(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001561959153 1076454014 /nfs/dbraw/zinc/45/40/14/1076454014.db2.gz MNNYAVDFRRHCIC-UHFFFAOYSA-N -1 1 366.389 2.648 20 30 FFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001565899863 1076788553 /nfs/dbraw/zinc/78/85/53/1076788553.db2.gz SBOBCIXCBFDMEM-HZPDHXFCSA-N -1 1 363.446 2.930 20 30 FFEDMM C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001573083953 1077522463 /nfs/dbraw/zinc/52/24/63/1077522463.db2.gz OXFNELNEXSZVSX-HZPDHXFCSA-N -1 1 357.454 2.713 20 30 FFEDMM C#C[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(Br)cc1 ZINC001588328959 1079985041 /nfs/dbraw/zinc/98/50/41/1079985041.db2.gz USWULEFLRYACDS-GFCCVEGCSA-N -1 1 370.214 2.514 20 30 FFEDMM C#C[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(Br)cc1 ZINC001588328959 1079985049 /nfs/dbraw/zinc/98/50/49/1079985049.db2.gz USWULEFLRYACDS-GFCCVEGCSA-N -1 1 370.214 2.514 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCCC2(CC2)C1 ZINC001588437946 1080029255 /nfs/dbraw/zinc/02/92/55/1080029255.db2.gz KXQKBKQADAHICM-UHFFFAOYSA-N -1 1 366.429 2.675 20 30 FFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCCC2(CC2)C1 ZINC001588437946 1080029264 /nfs/dbraw/zinc/02/92/64/1080029264.db2.gz KXQKBKQADAHICM-UHFFFAOYSA-N -1 1 366.429 2.675 20 30 FFEDMM C=C(C)Cn1c(Cc2cc(C)n[nH]2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588598250 1080118508 /nfs/dbraw/zinc/11/85/08/1080118508.db2.gz WSVKBTDDTMDQPU-HNNXBMFYSA-N -1 1 372.473 2.558 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC001588781204 1080193683 /nfs/dbraw/zinc/19/36/83/1080193683.db2.gz LGXPFEJUMSFKJC-UHFFFAOYSA-N -1 1 362.737 2.561 20 30 FFEDMM CCN(CC)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccccc1Cl ZINC001589723233 1080687065 /nfs/dbraw/zinc/68/70/65/1080687065.db2.gz XUQNOGJRUSVWCU-CRAIPNDOSA-N -1 1 365.861 2.844 20 30 FFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccnn2-c2ccccc2)o1 ZINC001589773500 1080728576 /nfs/dbraw/zinc/72/85/76/1080728576.db2.gz DZNDMPDPPNPYHV-UHFFFAOYSA-N -1 1 363.385 2.610 20 30 FFEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001589955593 1080900839 /nfs/dbraw/zinc/90/08/39/1080900839.db2.gz NMRIFZZQJRBNLU-BBWFWOEESA-N -1 1 371.437 2.768 20 30 FFEDMM C[C@H](c1cccc(C(F)(F)F)c1)N(C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590050271 1080979059 /nfs/dbraw/zinc/97/90/59/1080979059.db2.gz RCFRWMYYLZAGPP-SECBINFHSA-N -1 1 374.330 2.745 20 30 FFEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)c3coc(-c4nnn[n-]4)c3)sc2C1 ZINC001590279548 1081136874 /nfs/dbraw/zinc/13/68/74/1081136874.db2.gz LYVXKYVVAPGOPD-MRVPVSSYSA-N -1 1 354.395 2.770 20 30 FFEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)c3coc(-c4nn[n-]n4)c3)sc2C1 ZINC001590279548 1081136876 /nfs/dbraw/zinc/13/68/76/1081136876.db2.gz LYVXKYVVAPGOPD-MRVPVSSYSA-N -1 1 354.395 2.770 20 30 FFEDMM C[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c(C#N)cc2C1 ZINC001590280442 1081137692 /nfs/dbraw/zinc/13/76/92/1081137692.db2.gz NLZDGNSGTGPKDL-SECBINFHSA-N -1 1 365.422 2.572 20 30 FFEDMM C[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c(C#N)cc2C1 ZINC001590280442 1081137693 /nfs/dbraw/zinc/13/76/93/1081137693.db2.gz NLZDGNSGTGPKDL-SECBINFHSA-N -1 1 365.422 2.572 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC23CCOCC3)o1 ZINC000289713702 257295088 /nfs/dbraw/zinc/29/50/88/257295088.db2.gz WWSXDXPBGNBDSW-QGZVFWFLSA-N -1 1 358.419 2.524 20 30 FFEDMM N#CCC1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000397172204 512944997 /nfs/dbraw/zinc/94/49/97/512944997.db2.gz UTCRXNAASBUNLM-UHFFFAOYSA-N -1 1 370.190 2.763 20 30 FFEDMM CCCCCCCS(=O)(=O)[N-][C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000369106349 512230496 /nfs/dbraw/zinc/23/04/96/512230496.db2.gz HMLMPZJFVHMYIO-HNNXBMFYSA-N -1 1 367.471 2.660 20 30 FFEDMM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1nc2ccccc2s1 ZINC000041504112 506525607 /nfs/dbraw/zinc/52/56/07/506525607.db2.gz ANRVOKCINDNSGG-CYBMUJFWSA-N -1 1 350.403 2.955 20 30 FFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000010515075 506744218 /nfs/dbraw/zinc/74/42/18/506744218.db2.gz NTPGHWAFOROYKU-UHFFFAOYSA-N -1 1 350.783 2.799 20 30 FFEDMM CCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000068241624 507158288 /nfs/dbraw/zinc/15/82/88/507158288.db2.gz XHUGKGYRTREJEE-UHFFFAOYSA-N -1 1 357.435 2.782 20 30 FFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCC#N)c2)c1 ZINC000060617386 507567374 /nfs/dbraw/zinc/56/73/74/507567374.db2.gz HQJMJNGFJJRCLI-UHFFFAOYSA-N -1 1 357.435 2.782 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1 ZINC000050534214 507691659 /nfs/dbraw/zinc/69/16/59/507691659.db2.gz NEDAELKWSAHNAV-UHFFFAOYSA-N -1 1 369.446 2.872 20 30 FFEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000063147223 507695725 /nfs/dbraw/zinc/69/57/25/507695725.db2.gz RVNVGBGJMPQMKR-UHFFFAOYSA-N -1 1 357.435 2.841 20 30 FFEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000029330144 507774775 /nfs/dbraw/zinc/77/47/75/507774775.db2.gz OQGZNPIQXJJZPM-UHFFFAOYSA-N -1 1 356.407 2.667 20 30 FFEDMM Cn1c([C@H]2CCCN(C(=O)C=Cc3cccc(C#N)c3)C2)n[n-]c1=S ZINC000078621937 507890218 /nfs/dbraw/zinc/89/02/18/507890218.db2.gz SRWXGCDYNGJHIF-KIUWMYQTSA-N -1 1 353.451 2.769 20 30 FFEDMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000127847157 508509476 /nfs/dbraw/zinc/50/94/76/508509476.db2.gz XASGFQOMIJEWQZ-UHFFFAOYSA-N -1 1 373.825 2.902 20 30 FFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c(F)c1 ZINC000135368284 508595171 /nfs/dbraw/zinc/59/51/71/508595171.db2.gz NFSHAWZRQGZMSS-UHFFFAOYSA-N -1 1 360.345 2.823 20 30 FFEDMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000117739323 508616131 /nfs/dbraw/zinc/61/61/31/508616131.db2.gz NUHHOBHNPCJHES-NRFANRHFSA-N -1 1 354.840 2.750 20 30 FFEDMM Cn1cnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)n1 ZINC000185639810 509280348 /nfs/dbraw/zinc/28/03/48/509280348.db2.gz ZGFAKFYZQBPUEN-UHFFFAOYSA-N -1 1 373.825 2.808 20 30 FFEDMM CSc1nc(C)c(CCC(=O)OCc2cc(C#N)ccc2F)c(=O)[n-]1 ZINC000267125628 509356047 /nfs/dbraw/zinc/35/60/47/509356047.db2.gz BNCMWOSKVMBGTR-UHFFFAOYSA-N -1 1 361.398 2.899 20 30 FFEDMM C=CCCOCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000163360089 509366141 /nfs/dbraw/zinc/36/61/41/509366141.db2.gz MMEWDPWVRCSOQE-UHFFFAOYSA-N -1 1 370.215 2.598 20 30 FFEDMM CN1C(=O)C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000189086550 509405971 /nfs/dbraw/zinc/40/59/71/509405971.db2.gz RZPYJGBFDFKCQW-MAUKXSAKSA-N -1 1 369.808 2.619 20 30 FFEDMM C=C(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1ccc(F)c(F)c1 ZINC000186051999 509501046 /nfs/dbraw/zinc/50/10/46/509501046.db2.gz LNFNDPJBWBZLKA-OAHLLOKOSA-N -1 1 370.377 2.513 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cn1 ZINC000164955877 509547212 /nfs/dbraw/zinc/54/72/12/509547212.db2.gz BAPDWWFLHROHQG-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM COc1ccc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2nccn2C)cc1 ZINC000190008273 509882956 /nfs/dbraw/zinc/88/29/56/509882956.db2.gz IAMXFYRJGGGJSV-SFHVURJKSA-N -1 1 362.389 2.525 20 30 FFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000265366528 510015237 /nfs/dbraw/zinc/01/52/37/510015237.db2.gz NIMZHHZBBRCILQ-XCLFUZPHSA-N -1 1 365.437 2.684 20 30 FFEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 ZINC000177668426 510191442 /nfs/dbraw/zinc/19/14/42/510191442.db2.gz VXMABVKFUHUREV-ZDUSSCGKSA-N -1 1 374.340 2.836 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1[O-] ZINC000190675843 510278189 /nfs/dbraw/zinc/27/81/89/510278189.db2.gz KUYLBANHDVDVSU-UHFFFAOYSA-N -1 1 350.422 2.969 20 30 FFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000188597372 510839008 /nfs/dbraw/zinc/83/90/08/510839008.db2.gz DQTZCZAPNDVMDO-SNVBAGLBSA-N -1 1 352.325 2.944 20 30 FFEDMM COC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](OC)C3)o1 ZINC000297759199 511059735 /nfs/dbraw/zinc/05/97/35/511059735.db2.gz LVTTZIIXNUSTOE-SECBINFHSA-N -1 1 360.391 2.755 20 30 FFEDMM C#CCO[N-]C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000291219480 511163037 /nfs/dbraw/zinc/16/30/37/511163037.db2.gz JIQLGMGMHUALAG-PZJWPPBQSA-N -1 1 362.429 2.848 20 30 FFEDMM C=CCCCS(=O)(=O)[N-]c1ncc(I)cc1C ZINC000291804451 511346318 /nfs/dbraw/zinc/34/63/18/511346318.db2.gz BRRWTSABLZXMMU-UHFFFAOYSA-N -1 1 366.224 2.703 20 30 FFEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C(C)C)[nH]n2)C1=O ZINC000298689257 511376033 /nfs/dbraw/zinc/37/60/33/511376033.db2.gz ZUXDFXQACPHKLM-SFHVURJKSA-N -1 1 363.462 2.849 20 30 FFEDMM CC1(C)C[C@]1(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000292402819 511584341 /nfs/dbraw/zinc/58/43/41/511584341.db2.gz GLSNLXPPMSEETF-LJQANCHMSA-N -1 1 369.446 2.909 20 30 FFEDMM COc1ccc(C#N)cc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000299438921 511635370 /nfs/dbraw/zinc/63/53/70/511635370.db2.gz IUQLRGJMLUUJSE-UHFFFAOYSA-N -1 1 358.423 2.664 20 30 FFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C#N)CCC3)c2)cc1 ZINC000299479953 511652893 /nfs/dbraw/zinc/65/28/93/511652893.db2.gz BPLBFGPRYVAPHG-UHFFFAOYSA-N -1 1 369.446 2.972 20 30 FFEDMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000326195525 511854982 /nfs/dbraw/zinc/85/49/82/511854982.db2.gz UKZQDYISBVPSDL-UHFFFAOYSA-N -1 1 366.782 2.719 20 30 FFEDMM C=CCOc1ccccc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281593597 511902659 /nfs/dbraw/zinc/90/26/59/511902659.db2.gz CRITWXRKDGZOCG-UHFFFAOYSA-N -1 1 370.371 2.782 20 30 FFEDMM N#Cc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1[O-] ZINC000443319865 513934546 /nfs/dbraw/zinc/93/45/46/513934546.db2.gz LPHYXZGVXTWQBX-UHFFFAOYSA-N -1 1 372.384 2.841 20 30 FFEDMM N#CCCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436823827 513995898 /nfs/dbraw/zinc/99/58/98/513995898.db2.gz DDQOMZKSXKXYJA-UHFFFAOYSA-N -1 1 359.332 2.956 20 30 FFEDMM N#Cc1cccc(N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)n1 ZINC000436981192 514060025 /nfs/dbraw/zinc/06/00/25/514060025.db2.gz QBVDMEZQYXPIAP-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)C#N)c2)cc1 ZINC000432109988 514096385 /nfs/dbraw/zinc/09/63/85/514096385.db2.gz UXFXTWLUNGAQBX-ZDUSSCGKSA-N -1 1 373.434 2.528 20 30 FFEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427217428 514152931 /nfs/dbraw/zinc/15/29/31/514152931.db2.gz QVUAGAJUBHEVJR-UHFFFAOYSA-N -1 1 362.386 2.640 20 30 FFEDMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427306572 514177825 /nfs/dbraw/zinc/17/78/25/514177825.db2.gz CREMHLISURSKKP-UHFFFAOYSA-N -1 1 361.398 2.590 20 30 FFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000439242309 514512125 /nfs/dbraw/zinc/51/21/25/514512125.db2.gz AVYRSYZMSOJRDU-UHFFFAOYSA-N -1 1 370.434 2.528 20 30 FFEDMM COC(=O)C1([N-]S(=O)(=O)CC2(C#N)CCCCC2)CCC(C)CC1 ZINC000475543982 514710711 /nfs/dbraw/zinc/71/07/11/514710711.db2.gz FXGLBRCMXANWQC-UHFFFAOYSA-N -1 1 356.488 2.502 20 30 FFEDMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)n[nH]1 ZINC000489206012 514751665 /nfs/dbraw/zinc/75/16/65/514751665.db2.gz ODEGCILXVUSQQF-RKDXNWHRSA-N -1 1 360.443 2.503 20 30 FFEDMM CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475790940 514809778 /nfs/dbraw/zinc/80/97/78/514809778.db2.gz RZPOLXRMHXHWPI-UHFFFAOYSA-N -1 1 371.462 2.621 20 30 FFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc(-n2cccn2)c1 ZINC000475827071 514825072 /nfs/dbraw/zinc/82/50/72/514825072.db2.gz CKSMNTTXQJODTB-UHFFFAOYSA-N -1 1 354.391 2.553 20 30 FFEDMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc2oc1=O ZINC000466958034 514842382 /nfs/dbraw/zinc/84/23/82/514842382.db2.gz PYWONLKPTYHUNA-UHFFFAOYSA-N -1 1 357.391 2.595 20 30 FFEDMM COC(=O)C[C@@](C)(NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(F)c1 ZINC000476769803 515190235 /nfs/dbraw/zinc/19/02/35/515190235.db2.gz ULUHXSOYULZOBB-LJQANCHMSA-N -1 1 356.353 2.611 20 30 FFEDMM CNc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000535845243 516530491 /nfs/dbraw/zinc/53/04/91/516530491.db2.gz RFQOWOPRJYCEDQ-UHFFFAOYSA-N -1 1 358.423 2.532 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccc(F)cc3)c2)o1 ZINC000561506430 516621418 /nfs/dbraw/zinc/62/14/18/516621418.db2.gz XONNTMPJFKPDRA-UHFFFAOYSA-N -1 1 373.365 2.956 20 30 FFEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)n(C2CCOCC2)n1 ZINC000529000234 516852915 /nfs/dbraw/zinc/85/29/15/516852915.db2.gz RNIIRZGTBFUQGO-HNNXBMFYSA-N -1 1 361.405 2.976 20 30 FFEDMM CC(C)C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)C(=O)OC(C)(C)C ZINC000544722834 516895496 /nfs/dbraw/zinc/89/54/96/516895496.db2.gz OHWVNYQVWLIGDA-AWEZNQCLSA-N -1 1 358.504 2.746 20 30 FFEDMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000525367124 517018325 /nfs/dbraw/zinc/01/83/25/517018325.db2.gz LVBRFTOVHUDFGV-CYBMUJFWSA-N -1 1 373.434 2.641 20 30 FFEDMM CCc1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)on1 ZINC000525462095 517048068 /nfs/dbraw/zinc/04/80/68/517048068.db2.gz ZBIOFZOYMAPBML-UHFFFAOYSA-N -1 1 359.329 2.606 20 30 FFEDMM CCC[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000560444188 517807882 /nfs/dbraw/zinc/80/78/82/517807882.db2.gz LTBCHCRBCOJGPL-SECBINFHSA-N -1 1 365.238 2.751 20 30 FFEDMM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553816452 517918720 /nfs/dbraw/zinc/91/87/20/517918720.db2.gz RYEXGRPEDVHAKC-LBPRGKRZSA-N -1 1 366.464 2.867 20 30 FFEDMM Cn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c([C@H]2CCOC2)n1 ZINC000563594564 518007558 /nfs/dbraw/zinc/00/75/58/518007558.db2.gz XUZZUWVERYZWHE-JQWIXIFHSA-N -1 1 364.327 2.828 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(Cl)cccc32)o1 ZINC000563723627 518091653 /nfs/dbraw/zinc/09/16/53/518091653.db2.gz JCFMBLATZOCFPC-CYBMUJFWSA-N -1 1 352.799 2.997 20 30 FFEDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000566829710 518219498 /nfs/dbraw/zinc/21/94/98/518219498.db2.gz XPXNCMMKQPXUGP-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000589175188 518940289 /nfs/dbraw/zinc/94/02/89/518940289.db2.gz FSURTHKXBSFLNK-UHFFFAOYSA-N -1 1 367.380 2.894 20 30 FFEDMM C[C@@H](c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1)N1CCOCC1 ZINC000589180062 518942874 /nfs/dbraw/zinc/94/28/74/518942874.db2.gz ULBZDNDFVOGMRY-AWEZNQCLSA-N -1 1 351.406 2.909 20 30 FFEDMM COc1cc(OC)cc(OCCCN(C)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589188743 518946616 /nfs/dbraw/zinc/94/66/16/518946616.db2.gz IPOHXVCUWAVELF-UHFFFAOYSA-N -1 1 370.405 2.822 20 30 FFEDMM CCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1Oc1ccccc1 ZINC000589207867 518951717 /nfs/dbraw/zinc/95/17/17/518951717.db2.gz VKLLEUOFDUVZGO-GUDVDZBRSA-N -1 1 352.390 2.619 20 30 FFEDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1F ZINC000589556570 519030271 /nfs/dbraw/zinc/03/02/71/519030271.db2.gz KHCWVXHXOZQPIZ-UHFFFAOYSA-N -1 1 362.382 2.902 20 30 FFEDMM COc1cc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1C#N ZINC000580179150 519045223 /nfs/dbraw/zinc/04/52/23/519045223.db2.gz GVNKKWHMLNQTIH-UHFFFAOYSA-N -1 1 372.780 2.977 20 30 FFEDMM N#CC1CN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000590487966 519245997 /nfs/dbraw/zinc/24/59/97/519245997.db2.gz QCIOZHMOZQRYAI-UHFFFAOYSA-N -1 1 357.316 2.518 20 30 FFEDMM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000591328557 519593000 /nfs/dbraw/zinc/59/30/00/519593000.db2.gz BUQBYJLJHVBZDE-NSHDSACASA-N -1 1 365.199 2.787 20 30 FFEDMM COCCOCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000600664377 520384037 /nfs/dbraw/zinc/38/40/37/520384037.db2.gz YSUPVNLJURXSOH-UHFFFAOYSA-N -1 1 360.435 2.716 20 30 FFEDMM C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000610083332 520533697 /nfs/dbraw/zinc/53/36/97/520533697.db2.gz WVBTXGSHDBJDLK-YOEHRIQHSA-N -1 1 373.453 2.811 20 30 FFEDMM C=CC[C@H]1CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000617784934 520717294 /nfs/dbraw/zinc/71/72/94/520717294.db2.gz ALTIOVGEKFQQIB-HNNXBMFYSA-N -1 1 352.438 2.910 20 30 FFEDMM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)CCCCC1 ZINC000613949468 520738021 /nfs/dbraw/zinc/73/80/21/520738021.db2.gz NXQQUUPEPUHWRN-CYBMUJFWSA-N -1 1 356.394 2.792 20 30 FFEDMM COCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000618086913 520875444 /nfs/dbraw/zinc/87/54/44/520875444.db2.gz BPHDNLYDYXAKCK-UHFFFAOYSA-N -1 1 360.435 2.831 20 30 FFEDMM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000601727791 520921089 /nfs/dbraw/zinc/92/10/89/520921089.db2.gz HAQUOGJIZSISPO-UHFFFAOYSA-N -1 1 363.417 2.607 20 30 FFEDMM N#Cc1cccc(CN2CCC(N=c3[n-]nc(-c4ccon4)s3)CC2)c1 ZINC000593515367 521043478 /nfs/dbraw/zinc/04/34/78/521043478.db2.gz NIQYVYMWZNBPPH-UHFFFAOYSA-N -1 1 366.450 2.563 20 30 FFEDMM CC(C)n1ncc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)cnc21 ZINC000619461594 521580027 /nfs/dbraw/zinc/58/00/27/521580027.db2.gz BBSLLWZBCSKJKM-UHFFFAOYSA-N -1 1 355.423 2.879 20 30 FFEDMM COc1nc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)co1 ZINC000626284222 522074844 /nfs/dbraw/zinc/07/48/44/522074844.db2.gz KWNOVOQFHACOQF-VIFPVBQESA-N -1 1 370.390 2.762 20 30 FFEDMM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735648583 599031079 /nfs/dbraw/zinc/03/10/79/599031079.db2.gz SWBREMULMHSSKF-INIZCTEOSA-N -1 1 361.409 2.554 20 30 FFEDMM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735648583 599031081 /nfs/dbraw/zinc/03/10/81/599031081.db2.gz SWBREMULMHSSKF-INIZCTEOSA-N -1 1 361.409 2.554 20 30 FFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000819811624 598230019 /nfs/dbraw/zinc/23/00/19/598230019.db2.gz SKEASCSVXCWUIT-CXAGYDPISA-N -1 1 360.801 2.884 20 30 FFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(O)c(F)c1 ZINC000735451335 598641364 /nfs/dbraw/zinc/64/13/64/598641364.db2.gz XVDARLLBGXZLIS-UHFFFAOYSA-N -1 1 359.365 2.833 20 30 FFEDMM Clc1ccc(-c2noc(N=NCc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC000822574557 599340045 /nfs/dbraw/zinc/34/00/45/599340045.db2.gz WDXXCUPNOSLQLH-UHFFFAOYSA-N -1 1 356.733 2.609 20 30 FFEDMM Clc1ccc(-c2noc(N=NCc3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC000822574557 599340047 /nfs/dbraw/zinc/34/00/47/599340047.db2.gz WDXXCUPNOSLQLH-UHFFFAOYSA-N -1 1 356.733 2.609 20 30 FFEDMM N#CC1(NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1 ZINC000737678849 599570598 /nfs/dbraw/zinc/57/05/98/599570598.db2.gz MPOMHADYRCANCX-UHFFFAOYSA-N -1 1 364.340 2.584 20 30 FFEDMM N#CC1(NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CC1 ZINC000737678849 599570600 /nfs/dbraw/zinc/57/06/00/599570600.db2.gz MPOMHADYRCANCX-UHFFFAOYSA-N -1 1 364.340 2.584 20 30 FFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736215125 600304218 /nfs/dbraw/zinc/30/42/18/600304218.db2.gz JALNGYZBKKLBQV-FZMZJTMJSA-N -1 1 361.829 2.725 20 30 FFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000738608233 600306448 /nfs/dbraw/zinc/30/64/48/600306448.db2.gz HMASNTBDQKNQGS-WMZOPIPTSA-N -1 1 369.465 2.817 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(C#N)cc2F)o1 ZINC000819965865 607464327 /nfs/dbraw/zinc/46/43/27/607464327.db2.gz PYJNJRDYDHLDOZ-UHFFFAOYSA-N -1 1 354.349 2.609 20 30 FFEDMM C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000827716824 600762153 /nfs/dbraw/zinc/76/21/53/600762153.db2.gz BGNJDUNFJVLYFU-ZIAGYGMSSA-N -1 1 351.406 2.612 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849513 601524896 /nfs/dbraw/zinc/52/48/96/601524896.db2.gz HMXWHHBQGBCQGK-YVEFUNNKSA-N -1 1 372.469 2.683 20 30 FFEDMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000739924006 602971423 /nfs/dbraw/zinc/97/14/23/602971423.db2.gz NYFUCUHCSHUXLJ-UHFFFAOYSA-N -1 1 361.379 2.766 20 30 FFEDMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000739924929 603331713 /nfs/dbraw/zinc/33/17/13/603331713.db2.gz WNGFKKUPOHPHKX-UHFFFAOYSA-N -1 1 361.379 2.766 20 30 FFEDMM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000825894375 603560597 /nfs/dbraw/zinc/56/05/97/603560597.db2.gz GSWKSDFZWCXVSW-DJJJIMSYSA-N -1 1 369.425 2.914 20 30 FFEDMM CN(CC(=O)Nc1cc(Cl)ccc1C#N)C1CCC(NC(=O)[O-])CC1 ZINC000828114984 603836110 /nfs/dbraw/zinc/83/61/10/603836110.db2.gz NTORHEPOAXQHKC-UHFFFAOYSA-N -1 1 364.833 2.661 20 30 FFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000831065879 604220245 /nfs/dbraw/zinc/22/02/45/604220245.db2.gz SQSWFKLLOZPBBH-GFCCVEGCSA-N -1 1 361.741 2.662 20 30 FFEDMM N#CC(C(=O)CC[C@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccccc1Cl ZINC000833960132 605487460 /nfs/dbraw/zinc/48/74/60/605487460.db2.gz GGCZQVCKVCJQCW-RYUDHWBXSA-N -1 1 363.801 2.767 20 30 FFEDMM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821334934 606390741 /nfs/dbraw/zinc/39/07/41/606390741.db2.gz UHCKCZXQOJXGCI-VQHVLOKHSA-N -1 1 368.418 2.930 20 30 FFEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[nH]n1)c1ccc(C(=O)[O-])cc1 ZINC000820832764 607148465 /nfs/dbraw/zinc/14/84/65/607148465.db2.gz NMZYUHOMIOIWCT-UHFFFAOYSA-N -1 1 369.385 2.903 20 30 FFEDMM N#Cc1cccc(COc2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)c1 ZINC000826386748 608412805 /nfs/dbraw/zinc/41/28/05/608412805.db2.gz RIXMDPMROOHETF-UHFFFAOYSA-N -1 1 370.376 2.851 20 30 FFEDMM N#Cc1cccc(COc2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)c1 ZINC000826386748 608412807 /nfs/dbraw/zinc/41/28/07/608412807.db2.gz RIXMDPMROOHETF-UHFFFAOYSA-N -1 1 370.376 2.851 20 30 FFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826281228 609338573 /nfs/dbraw/zinc/33/85/73/609338573.db2.gz JVIAQAAYEQIMMM-UHFFFAOYSA-N -1 1 374.813 2.501 20 30 FFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc([N+](=O)[O-])s2)o1 ZINC000824142457 609447414 /nfs/dbraw/zinc/44/74/14/609447414.db2.gz UEBCDCNBJCGASF-UHFFFAOYSA-N -1 1 362.375 2.568 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Oc3ccccc3)o2)o1 ZINC000826323201 609517760 /nfs/dbraw/zinc/51/77/60/609517760.db2.gz UTKOEOMBRJPRLO-UHFFFAOYSA-N -1 1 351.326 2.994 20 30 FFEDMM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000746782172 735509960 /nfs/dbraw/zinc/50/99/60/735509960.db2.gz GDKQRGKJGYMUJR-JXMROGBWSA-N -1 1 356.403 2.854 20 30 FFEDMM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000130500390 728718621 /nfs/dbraw/zinc/71/86/21/728718621.db2.gz MENFLFHUCHMMGC-QMTHXVAHSA-N -1 1 357.819 2.999 20 30 FFEDMM C#C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000185367202 729347993 /nfs/dbraw/zinc/34/79/93/729347993.db2.gz SRTQJPRKYNXCMT-CQSZACIVSA-N -1 1 356.447 2.856 20 30 FFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)c(F)c2)c(=O)o1 ZINC000255612593 729643888 /nfs/dbraw/zinc/64/38/88/729643888.db2.gz GDROWWYNOXNTHH-PKXJPQMGSA-N -1 1 353.143 2.816 20 30 FFEDMM N#CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000326630318 729790380 /nfs/dbraw/zinc/79/03/80/729790380.db2.gz QBXXZTLJOPYOPD-UHFFFAOYSA-N -1 1 366.782 2.741 20 30 FFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869736501 731434235 /nfs/dbraw/zinc/43/42/35/731434235.db2.gz IWMAAPNNWBRIDR-GTNSWQLSSA-N -1 1 352.818 2.574 20 30 FFEDMM CC(C)(C#N)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315052 731618502 /nfs/dbraw/zinc/61/85/02/731618502.db2.gz UYRVRAHQEWKFTN-NSHDSACASA-N -1 1 353.344 2.735 20 30 FFEDMM Cn1cc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2F)c(C(C)(C)C)n1 ZINC000872009238 731718700 /nfs/dbraw/zinc/71/87/00/731718700.db2.gz VWYXQEXGDITNLC-UHFFFAOYSA-N -1 1 354.382 2.668 20 30 FFEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCc2cc(C#N)ccc21 ZINC000872498001 731781319 /nfs/dbraw/zinc/78/13/19/731781319.db2.gz PRNJTHJDOUYHLW-WNSKOXEYSA-N -1 1 369.512 2.666 20 30 FFEDMM N#CC1(C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CCC1 ZINC000882268718 733201031 /nfs/dbraw/zinc/20/10/31/733201031.db2.gz FXHHJXHBGFJPIY-UHFFFAOYSA-N -1 1 353.753 2.726 20 30 FFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)C(C)(C)C ZINC000702267194 734356186 /nfs/dbraw/zinc/35/61/86/734356186.db2.gz RECJBPPLJAIYFD-JTQLQIEISA-N -1 1 365.680 2.824 20 30 FFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000748254528 735630822 /nfs/dbraw/zinc/63/08/22/735630822.db2.gz AVVDPEUURIEJPA-UHFFFAOYSA-N -1 1 353.787 2.951 20 30 FFEDMM C#Cc1cccc(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000749144673 735698369 /nfs/dbraw/zinc/69/83/69/735698369.db2.gz VUNXIWNNRBZLFW-UHFFFAOYSA-N -1 1 365.794 2.829 20 30 FFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000751321468 735864044 /nfs/dbraw/zinc/86/40/44/735864044.db2.gz ZAVXDKMKFZOWAB-UHFFFAOYSA-N -1 1 352.148 2.607 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCc2c1cc(F)cc2F ZINC000752732258 736007674 /nfs/dbraw/zinc/00/76/74/736007674.db2.gz RCPNRYQAFCESND-UHFFFAOYSA-N -1 1 367.333 2.502 20 30 FFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(Cl)ccc1F ZINC000753710648 736088824 /nfs/dbraw/zinc/08/88/24/736088824.db2.gz YXKQHRSCEAFKLA-UHFFFAOYSA-N -1 1 357.750 2.700 20 30 FFEDMM COCc1ncsc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000790866516 739506790 /nfs/dbraw/zinc/50/67/90/739506790.db2.gz OAJLAFHLJPQMDK-UHFFFAOYSA-N -1 1 352.759 2.975 20 30 FFEDMM COc1cc(Br)c(C=NNc2nc(C)cc(=O)[n-]2)c(OC)c1 ZINC000760219869 736622596 /nfs/dbraw/zinc/62/25/96/736622596.db2.gz XTCXVWUIRIYJSS-UHFFFAOYSA-N -1 1 367.203 2.716 20 30 FFEDMM C=CCN(CC(=O)[O-])C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000908803290 736834932 /nfs/dbraw/zinc/83/49/32/736834932.db2.gz MIEADPCZLMKPTH-MRXNPFEDSA-N -1 1 365.861 2.759 20 30 FFEDMM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1 ZINC000766622284 737247100 /nfs/dbraw/zinc/24/71/00/737247100.db2.gz FRCQOGOXFCLIIR-GFCCVEGCSA-N -1 1 366.208 2.956 20 30 FFEDMM Cc1nnc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c(C#N)c1C ZINC000769217843 737507841 /nfs/dbraw/zinc/50/78/41/737507841.db2.gz PDLKJQQXETUYCB-UHFFFAOYSA-N -1 1 357.845 2.646 20 30 FFEDMM CC[C@](C)(C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000769742176 737560480 /nfs/dbraw/zinc/56/04/80/737560480.db2.gz FNBWJKINANCEMQ-CQSZACIVSA-N -1 1 359.304 2.925 20 30 FFEDMM COc1c([O-])c(C=NNc2ccnc(Br)c2)ccc1[N+](=O)[O-] ZINC000773072511 737868878 /nfs/dbraw/zinc/86/88/78/737868878.db2.gz GSMFBQQRILPYBT-UHFFFAOYSA-N -1 1 367.159 2.913 20 30 FFEDMM CCCCCCCCN1C(=O)C(=CNc2ccccn2)C(=O)[N-]C1=S ZINC000920979354 737937852 /nfs/dbraw/zinc/93/78/52/737937852.db2.gz IYMBDILOXBJSCE-YPKPFQOOSA-N -1 1 360.483 2.981 20 30 FFEDMM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)NC1(C#N)CCC1 ZINC000787695338 739159706 /nfs/dbraw/zinc/15/97/06/739159706.db2.gz IBUAGQGILHUEBY-QMMMGPOBSA-N -1 1 357.193 2.807 20 30 FFEDMM CC(=NNc1ccccc1S(=O)(=O)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000793183036 739749410 /nfs/dbraw/zinc/74/94/10/739749410.db2.gz RSOPMJMQUCYZNS-UHFFFAOYSA-N -1 1 369.393 2.757 20 30 FFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)c1 ZINC000794581572 739907250 /nfs/dbraw/zinc/90/72/50/739907250.db2.gz IXPBFACTFOPQJH-UHFFFAOYSA-N -1 1 357.391 2.510 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000811528847 741534524 /nfs/dbraw/zinc/53/45/24/741534524.db2.gz NOOWKJAHBACCCC-OAHLLOKOSA-N -1 1 350.296 2.746 20 30 FFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCC(C)(C)O)s1 ZINC000834628432 745872167 /nfs/dbraw/zinc/87/21/67/745872167.db2.gz KYRCFQGHTSIORO-UHFFFAOYSA-N -1 1 350.893 2.657 20 30 FFEDMM C#CCCCS(=O)(=O)[N-]c1cccc(-c2cc(OC)cc(OC)c2)n1 ZINC000840950612 747239892 /nfs/dbraw/zinc/23/98/92/747239892.db2.gz PCJLEWZYPYLERH-UHFFFAOYSA-N -1 1 360.435 2.921 20 30 FFEDMM N#CC(C(=O)Cn1cc(Br)cn1)=C([O-])C1(c2ccccc2)CC1 ZINC000845839693 748335261 /nfs/dbraw/zinc/33/52/61/748335261.db2.gz VRWYVEOGQOHFTB-CQSZACIVSA-N -1 1 372.222 2.655 20 30 FFEDMM N#CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000313411252 845792621 /nfs/dbraw/zinc/79/26/21/845792621.db2.gz PKVVVVYFJLPCNX-UHFFFAOYSA-N -1 1 350.783 2.905 20 30 FFEDMM CC(Cc1ccn(C(C)C)n1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824457585 946714095 /nfs/dbraw/zinc/71/40/95/946714095.db2.gz QIYSSLCEXBAJTC-UHFFFAOYSA-N -1 1 371.449 2.960 20 30 FFEDMM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc2sccc2c1[O-] ZINC001271026012 967978087 /nfs/dbraw/zinc/97/80/87/967978087.db2.gz CPCGIPIVBCOBRL-HUUCEWRRSA-N -1 1 356.447 2.998 20 30 FFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(C)C ZINC001211689114 975245881 /nfs/dbraw/zinc/24/58/81/975245881.db2.gz MSGGNJLRMWZUMG-SNVBAGLBSA-N -1 1 364.236 2.533 20 30 FFEDMM N#Cc1c[nH]c2cc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)cnc12 ZINC001167937527 978218437 /nfs/dbraw/zinc/21/84/37/978218437.db2.gz DJSQGDXOFSUSLE-UHFFFAOYSA-N -1 1 354.306 2.519 20 30 FFEDMM N#Cc1cnc2cc(NC3([P@](=O)([O-])O)Cc4ccccc4C3)c[nH]c1-2 ZINC001167937527 978218444 /nfs/dbraw/zinc/21/84/44/978218444.db2.gz DJSQGDXOFSUSLE-UHFFFAOYSA-N -1 1 354.306 2.519 20 30 FFEDMM N#Cc1cnc2cc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)c[nH]c1-2 ZINC001167937527 978218452 /nfs/dbraw/zinc/21/84/52/978218452.db2.gz DJSQGDXOFSUSLE-UHFFFAOYSA-N -1 1 354.306 2.519 20 30 FFEDMM C=CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908807172 981541265 /nfs/dbraw/zinc/54/12/65/981541265.db2.gz NHRDRYKIGZAFNZ-QGZVFWFLSA-N -1 1 359.470 2.542 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908914057 981566362 /nfs/dbraw/zinc/56/63/62/981566362.db2.gz UKWSDPJXQKJCQJ-YJBOKZPZSA-N -1 1 359.470 2.542 20 30 FFEDMM C=CCCC[C@H](NC(=O)NC[C@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908914057 981566365 /nfs/dbraw/zinc/56/63/65/981566365.db2.gz UKWSDPJXQKJCQJ-YJBOKZPZSA-N -1 1 359.470 2.542 20 30 FFEDMM C=C(C)COc1cccc(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000878572376 1015110123 /nfs/dbraw/zinc/11/01/23/1015110123.db2.gz BVXJQBXUXZAWAR-UHFFFAOYSA-N -1 1 371.359 2.784 20 30 FFEDMM COc1cccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1OC(C)C ZINC000914599732 987812176 /nfs/dbraw/zinc/81/21/76/987812176.db2.gz ILZVYXHCDIVOTG-UHFFFAOYSA-N -1 1 373.434 2.555 20 30 FFEDMM N#Cc1ccc(NCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000919625380 990694169 /nfs/dbraw/zinc/69/41/69/990694169.db2.gz GMSUEZSIWGUAHV-UHFFFAOYSA-N -1 1 350.330 2.526 20 30 FFEDMM CN(Cc1cn(C)nc1C(F)(F)F)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598533560 992818847 /nfs/dbraw/zinc/81/88/47/992818847.db2.gz IFTHJGMHYFVWDL-ZDUSSCGKSA-N -1 1 352.316 2.568 20 30 FFEDMM N#Cc1cc(F)cc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000880331149 1015808514 /nfs/dbraw/zinc/80/85/14/1015808514.db2.gz IEJXUNQXKZVORY-UHFFFAOYSA-N -1 1 372.322 2.620 20 30 FFEDMM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809783112 994612542 /nfs/dbraw/zinc/61/25/42/994612542.db2.gz RKORTKUFBJPIFU-BLLLJJGKSA-N -1 1 359.426 2.639 20 30 FFEDMM CCCCCC[C@@H](CC)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001170590961 994652806 /nfs/dbraw/zinc/65/28/06/994652806.db2.gz PUGPQOJGJSSSJP-ZIAGYGMSSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCCC[C@@H](CC)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001170590961 994652809 /nfs/dbraw/zinc/65/28/09/994652809.db2.gz PUGPQOJGJSSSJP-ZIAGYGMSSA-N -1 1 356.469 2.751 20 30 FFEDMM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC001599276173 996806904 /nfs/dbraw/zinc/80/69/04/996806904.db2.gz UGVVZPVTRJGEBN-UHFFFAOYSA-N -1 1 370.361 2.516 20 30 FFEDMM N=C(c1ccccc1N)N([O-])C(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001143647696 997472074 /nfs/dbraw/zinc/47/20/74/997472074.db2.gz BYFXSVWMJKZOAG-ZDUSSCGKSA-N -1 1 353.300 2.564 20 30 FFEDMM CC(CCc1ccccc1[N+](=O)[O-])=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000741460923 999728712 /nfs/dbraw/zinc/72/87/12/999728712.db2.gz ULWGSKOVFAHVMZ-UHFFFAOYSA-N -1 1 372.406 2.642 20 30 FFEDMM N#Cc1cc([N-]C(=O)c2ncn(-c3ccccc3)n2)c(Cl)c([N+](=O)[O-])c1 ZINC000769273290 1000483298 /nfs/dbraw/zinc/48/32/98/1000483298.db2.gz DLHOXOKQRCMSCW-UHFFFAOYSA-N -1 1 368.740 2.953 20 30 FFEDMM C#C[C@@H](C)N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000769656243 1000570921 /nfs/dbraw/zinc/57/09/21/1000570921.db2.gz YWRDJTUBNGCROW-CQSZACIVSA-N -1 1 374.437 2.649 20 30 FFEDMM COCCN(CCC#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769763119 1000590576 /nfs/dbraw/zinc/59/05/76/1000590576.db2.gz QHBTXUWCIVCNEC-UHFFFAOYSA-N -1 1 363.414 2.741 20 30 FFEDMM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000785587403 1001454291 /nfs/dbraw/zinc/45/42/91/1001454291.db2.gz ZTFDFLUKTLMKLY-IBGZPJMESA-N -1 1 359.426 2.687 20 30 FFEDMM COC(=O)COc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1[N+](=O)[O-] ZINC000788733011 1001862091 /nfs/dbraw/zinc/86/20/91/1001862091.db2.gz SCFJLWZSXASQSD-AWNIVKPZSA-N -1 1 369.329 2.675 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1ccc(C#N)cc1F ZINC000746929692 1002433980 /nfs/dbraw/zinc/43/39/80/1002433980.db2.gz AMHLVEIWFZNRTE-UHFFFAOYSA-N -1 1 368.368 2.739 20 30 FFEDMM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(F)cc(F)c1)[C@@H](C)CC ZINC001185153695 1002855495 /nfs/dbraw/zinc/85/54/95/1002855495.db2.gz HZVGGKRCAPBJSE-NHYWBVRUSA-N -1 1 361.410 2.528 20 30 FFEDMM N#Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(Br)c1 ZINC001185649703 1003012329 /nfs/dbraw/zinc/01/23/29/1003012329.db2.gz FURSLEUTYKBMAE-UHFFFAOYSA-N -1 1 373.619 2.565 20 30 FFEDMM O=C1C=C([N-]S(=O)(=O)c2cc(F)c(F)cc2Br)CCC1 ZINC001186730921 1003400326 /nfs/dbraw/zinc/40/03/26/1003400326.db2.gz MFBHDDMNZARPCV-UHFFFAOYSA-N -1 1 366.183 2.643 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3C[C@H](F)C[C@@H](CO)C3)c2)c1 ZINC001196308890 1003731174 /nfs/dbraw/zinc/73/11/74/1003731174.db2.gz CWXWFKGJIRBJKZ-RDTXWAMCSA-N -1 1 354.381 2.723 20 30 FFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCN(CCF)CC3)c2)c1 ZINC001196315692 1003732655 /nfs/dbraw/zinc/73/26/55/1003732655.db2.gz IMVVEOFZEHPARA-UHFFFAOYSA-N -1 1 353.397 2.658 20 30 FFEDMM CC(C)[C@@](C)(NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)C(N)=O ZINC001196321399 1003742367 /nfs/dbraw/zinc/74/23/67/1003742367.db2.gz ZWECFIWNJLTMBF-HXUWFJFHSA-N -1 1 351.406 2.561 20 30 FFEDMM Cc1nc(C(=O)[N-]c2nc3ncccc3cc2C#N)c(Br)o1 ZINC001191619916 1003892400 /nfs/dbraw/zinc/89/24/00/1003892400.db2.gz BCSLZWCXBYCQLX-UHFFFAOYSA-N -1 1 358.155 2.813 20 30 FFEDMM N#CC1CC([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC001196843169 1003975878 /nfs/dbraw/zinc/97/58/78/1003975878.db2.gz NSEORDGPIQJXCA-UHFFFAOYSA-N -1 1 367.627 2.822 20 30 FFEDMM N#Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)cc1 ZINC001192467855 1004166732 /nfs/dbraw/zinc/16/67/32/1004166732.db2.gz IODLLAIKQIXQNM-UHFFFAOYSA-N -1 1 356.234 2.781 20 30 FFEDMM COc1ccc(-c2cc([N-]S(=O)(=O)CC#N)n(-c3ccccc3)n2)cc1 ZINC001192951289 1004324946 /nfs/dbraw/zinc/32/49/46/1004324946.db2.gz JMJINYNWIZCHHD-UHFFFAOYSA-N -1 1 368.418 2.813 20 30 FFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(I)c(Cl)c1 ZINC001193147185 1004389757 /nfs/dbraw/zinc/38/97/57/1004389757.db2.gz YMYHPHMDXXCKKR-LURJTMIESA-N -1 1 370.599 2.598 20 30 FFEDMM Cc1cc2nc3ccc(N(C)C)cc3nc2cc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193149833 1004390798 /nfs/dbraw/zinc/39/07/98/1004390798.db2.gz AAUYGMROLBWCSI-LBPRGKRZSA-N -1 1 369.450 2.811 20 30 FFEDMM Cc1cnn(C)c1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001195507367 1004980397 /nfs/dbraw/zinc/98/03/97/1004980397.db2.gz JTOQKNCMJOCPAW-GIJQJNRQSA-N -1 1 368.422 2.516 20 30 FFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)cc1C#N ZINC001201287306 1005188022 /nfs/dbraw/zinc/18/80/22/1005188022.db2.gz FCUASWVSGGDXFM-UHFFFAOYSA-N -1 1 357.435 2.504 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)c1 ZINC000776640695 1006283180 /nfs/dbraw/zinc/28/31/80/1006283180.db2.gz JMURDGMWFOKLPI-UHFFFAOYSA-N -1 1 367.386 2.712 20 30 FFEDMM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188085286 1006404817 /nfs/dbraw/zinc/40/48/17/1006404817.db2.gz ZLLBJGNOLKTTNI-DJWKRKHSSA-N -1 1 363.144 2.702 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccn1 ZINC001188716782 1006699056 /nfs/dbraw/zinc/69/90/56/1006699056.db2.gz YJKAYTJPBDKOHP-UHFFFAOYSA-N -1 1 361.732 2.848 20 30 FFEDMM C=C(C)Cc1ccc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])cc1 ZINC001190225094 1007512095 /nfs/dbraw/zinc/51/20/95/1007512095.db2.gz XVXGTTSFLJQSBM-UHFFFAOYSA-N -1 1 360.435 2.671 20 30 FFEDMM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190648053 1007733448 /nfs/dbraw/zinc/73/34/48/1007733448.db2.gz RHWSVIDYDGCDSW-UHFFFAOYSA-N -1 1 368.773 2.938 20 30 FFEDMM C=CCC1(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)CC2(F)F)CC1 ZINC001190845655 1007806353 /nfs/dbraw/zinc/80/63/53/1007806353.db2.gz OPUOMFWBJNIMOR-INIZCTEOSA-N -1 1 370.465 2.924 20 30 FFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c(F)c(F)ccc2CO)c1 ZINC001190981199 1007860175 /nfs/dbraw/zinc/86/01/75/1007860175.db2.gz DHLTZOVADBBUTK-UHFFFAOYSA-N -1 1 358.753 2.783 20 30 FFEDMM Cc1ccccc1C1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)COC1 ZINC001190997916 1007877110 /nfs/dbraw/zinc/87/71/10/1007877110.db2.gz HABYRSPIXGIPEJ-UHFFFAOYSA-N -1 1 362.838 2.724 20 30 FFEDMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)COc2cccc(C#N)c2)c1 ZINC000820067357 1008276549 /nfs/dbraw/zinc/27/65/49/1008276549.db2.gz BYGCEYOGBAXUNB-RXBISOJRSA-N -1 1 373.430 2.685 20 30 FFEDMM C#CCN(C(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O)C1CCCCC1 ZINC000858847662 1008435939 /nfs/dbraw/zinc/43/59/39/1008435939.db2.gz DXDBMRHXYXLGJZ-UHFFFAOYSA-N -1 1 368.433 2.953 20 30 FFEDMM C#CCC1(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCCC1 ZINC000886652502 1008796493 /nfs/dbraw/zinc/79/64/93/1008796493.db2.gz RHDAQJXDKWYPGQ-UHFFFAOYSA-N -1 1 364.449 2.525 20 30 FFEDMM Cc1ccnn1CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000860451385 1009009912 /nfs/dbraw/zinc/00/99/12/1009009912.db2.gz AEFPERXHTXTCST-GFCCVEGCSA-N -1 1 367.434 2.657 20 30 FFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001179554896 1009368176 /nfs/dbraw/zinc/36/81/76/1009368176.db2.gz PYTVRPMMUSVUEK-FECLOSHZSA-N -1 1 370.434 2.728 20 30 FFEDMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC2(CC1)CC(=O)C=CO2 ZINC000887769464 1009574832 /nfs/dbraw/zinc/57/48/32/1009574832.db2.gz JOJCCSBHOXBJHZ-UHFFFAOYSA-N -1 1 353.374 2.729 20 30 FFEDMM N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)c([O-])c1 ZINC001180337440 1009638811 /nfs/dbraw/zinc/63/88/11/1009638811.db2.gz SPWKQKRTSFSIMI-INIZCTEOSA-N -1 1 351.362 2.866 20 30 FFEDMM CC(=NN[C@H]1CCCOC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863108976 1010108672 /nfs/dbraw/zinc/10/86/72/1010108672.db2.gz WKHAHMXMGVOLNJ-SFHVURJKSA-N -1 1 373.478 2.980 20 30 FFEDMM C#CCOCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000119543257 1010266241 /nfs/dbraw/zinc/26/62/41/1010266241.db2.gz FZCCNRISPZUGHU-UHFFFAOYSA-N -1 1 372.446 2.774 20 30 FFEDMM C=C(C)CN1CCC2(CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)C1=O ZINC001274850823 1011695835 /nfs/dbraw/zinc/69/58/35/1011695835.db2.gz TUTIQWRCTMSKTA-UHFFFAOYSA-N -1 1 364.392 2.701 20 30 FFEDMM C=CCN1C[C@@]2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)OCC1=O ZINC001275235604 1012116141 /nfs/dbraw/zinc/11/61/41/1012116141.db2.gz CMERUSNVVUBVHV-KRWDZBQOSA-N -1 1 371.264 2.688 20 30 FFEDMM C=CCn1c(C2CCC2)nnc1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000828503088 1032730998 /nfs/dbraw/zinc/73/09/98/1032730998.db2.gz QEORVHIVKVUDKM-YPMHNXCESA-N -1 1 371.407 2.625 20 30 FFEDMM N#CCOc1ccc(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000801326546 1018848960 /nfs/dbraw/zinc/84/89/60/1018848960.db2.gz XJDAZYMBQDSCJW-UHFFFAOYSA-N -1 1 367.336 2.976 20 30 FFEDMM N#CC1(CCCOC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CCOCC1 ZINC000801326574 1018849372 /nfs/dbraw/zinc/84/93/72/1018849372.db2.gz YJVPZBCOOIMWBI-UHFFFAOYSA-N -1 1 373.384 2.974 20 30 FFEDMM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc1 ZINC000901604367 1019249547 /nfs/dbraw/zinc/24/95/47/1019249547.db2.gz OBIMRQNUNIHIGP-UHFFFAOYSA-N -1 1 371.462 2.574 20 30 FFEDMM C#CCOc1ccc(NC(=O)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)cc1 ZINC000930246343 1019945031 /nfs/dbraw/zinc/94/50/31/1019945031.db2.gz IOOYRKDFPXHLHX-HNNXBMFYSA-N -1 1 368.393 2.572 20 30 FFEDMM N#Cc1ccc(N2CC[C@@H](OC(=O)c3c([O-])cc(F)cc3F)C2=O)cc1 ZINC000749279342 1020914388 /nfs/dbraw/zinc/91/43/88/1020914388.db2.gz CLOWYXIZNYKMSV-OAHLLOKOSA-N -1 1 358.300 2.504 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc([N+](=O)[O-])c1C ZINC000048504686 1022734477 /nfs/dbraw/zinc/73/44/77/1022734477.db2.gz ZUNCVRAEAFZKKC-UHFFFAOYSA-N -1 1 374.378 2.781 20 30 FFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)cs2)cc1 ZINC000752159328 1023082996 /nfs/dbraw/zinc/08/29/96/1023082996.db2.gz BFBJJQJJDMQOEE-CQSZACIVSA-N -1 1 367.386 2.758 20 30 FFEDMM COC(=O)[C@@H](C)Oc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000758433776 1024113832 /nfs/dbraw/zinc/11/38/32/1024113832.db2.gz JJCMLVUNDNKIOU-BIPYJSMBSA-N -1 1 370.357 2.927 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC001158980137 1027216095 /nfs/dbraw/zinc/21/60/95/1027216095.db2.gz VURJWSFTMMFXKB-MAZHCROVSA-N -1 1 371.437 2.782 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H]2CCCc3nccnc32)n1 ZINC001161408327 1028161067 /nfs/dbraw/zinc/16/10/67/1028161067.db2.gz TYWPHXKOIWJIQU-NZWFQIHVSA-N -1 1 350.835 2.940 20 30 FFEDMM N#Cc1ccc2[n-]c(C(=O)N3CCC(OC4CCC4)CC3)cc(=O)c2c1 ZINC001154553344 1028352287 /nfs/dbraw/zinc/35/22/87/1028352287.db2.gz RKBHOVBVOPMXQD-UHFFFAOYSA-N -1 1 351.406 2.573 20 30 FFEDMM N#Cc1ccc(NC(=O)c2cc3c(Br)cccn3n2)c([O-])c1 ZINC001154743015 1028433655 /nfs/dbraw/zinc/43/36/55/1028433655.db2.gz DUIDCFHOJOMZDY-UHFFFAOYSA-N -1 1 357.167 2.926 20 30 FFEDMM CC(C)(C#N)c1ccc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cn1 ZINC001155222123 1028631936 /nfs/dbraw/zinc/63/19/36/1028631936.db2.gz LDHJEGXHFHKBLN-UHFFFAOYSA-N -1 1 365.345 2.653 20 30 FFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NCc2nccc(OC(C)C)n2)n1 ZINC001163257384 1028856153 /nfs/dbraw/zinc/85/61/53/1028856153.db2.gz NEWWDKLTENJCIX-NGYBGAFCSA-N -1 1 368.850 2.849 20 30 FFEDMM CCOC(=O)c1nc([C@H](C)Nc2ccc(C#N)c(Br)c2)n[n-]1 ZINC001163697156 1029029370 /nfs/dbraw/zinc/02/93/70/1029029370.db2.gz ZZMCAEDJDWHZOG-QMMMGPOBSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1nnc([C@H](C)Nc2ccc(C#N)c(Br)c2)[n-]1 ZINC001163697156 1029029381 /nfs/dbraw/zinc/02/93/81/1029029381.db2.gz ZZMCAEDJDWHZOG-QMMMGPOBSA-N -1 1 364.203 2.789 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@H](C)Nc2ccc(C#N)c(Br)c2)n1 ZINC001163697156 1029029395 /nfs/dbraw/zinc/02/93/95/1029029395.db2.gz ZZMCAEDJDWHZOG-QMMMGPOBSA-N -1 1 364.203 2.789 20 30 FFEDMM COC(=O)COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000782185301 1029601740 /nfs/dbraw/zinc/60/17/40/1029601740.db2.gz QKKUINYGXRIYAC-XBXARRHUSA-N -1 1 356.330 2.538 20 30 FFEDMM CCc1nc(CNCc2ccc(N(C)CCC#N)cc2)ccc1C(=O)[O-] ZINC000841793526 1030469981 /nfs/dbraw/zinc/46/99/81/1030469981.db2.gz MHKOKOLPIDGLAR-UHFFFAOYSA-N -1 1 352.438 2.982 20 30 FFEDMM CCOC(=O)[C@H]1C[C@H](C)CCN1c1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001167001123 1030604439 /nfs/dbraw/zinc/60/44/39/1030604439.db2.gz DDQBUVXOTQTOLQ-VUKLLELYSA-N -1 1 372.878 2.828 20 30 FFEDMM CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCOc1nccc(/C=N/[O-])n1 ZINC001226254753 1034595663 /nfs/dbraw/zinc/59/56/63/1034595663.db2.gz CNTWAKJOTWRXDQ-WXSRTPMLSA-N -1 1 350.419 2.843 20 30 FFEDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](CC#N)c1ccccc1 ZINC001226311536 1034625165 /nfs/dbraw/zinc/62/51/65/1034625165.db2.gz XUXKJOKJYDIHAF-CYBMUJFWSA-N -1 1 357.322 2.906 20 30 FFEDMM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(C#N)cc2OC)c1[O-] ZINC001140308526 1035428808 /nfs/dbraw/zinc/42/88/08/1035428808.db2.gz NERBNNKDPLSMSH-UHFFFAOYSA-N -1 1 360.753 2.965 20 30 FFEDMM C=C1O[C@H](C)C(=O)C1Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl ZINC001227635537 1035648025 /nfs/dbraw/zinc/64/80/25/1035648025.db2.gz PLLYTRMIFUBFBY-RXMQYKEDSA-N -1 1 353.179 2.838 20 30 FFEDMM N#Cc1ccc([O-])c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC001232676697 1035932284 /nfs/dbraw/zinc/93/22/84/1035932284.db2.gz PZLITFMZLHBIST-UHFFFAOYSA-N -1 1 362.355 3.000 20 30 FFEDMM N#Cc1ccc([O-])c(CN2CCN(c3ncccc3C(F)(F)F)CC2)c1 ZINC001232673207 1035933868 /nfs/dbraw/zinc/93/38/68/1035933868.db2.gz CMPRNOHSVFGZAX-UHFFFAOYSA-N -1 1 362.355 3.000 20 30 FFEDMM C#CC(C#C)Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228191269 1035985314 /nfs/dbraw/zinc/98/53/14/1035985314.db2.gz PQWPKDWDJSXSBH-QGZVFWFLSA-N -1 1 350.326 2.524 20 30 FFEDMM C=C[C@H](Oc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1O)C(=O)OC ZINC001229212243 1036556806 /nfs/dbraw/zinc/55/68/06/1036556806.db2.gz ZLEHEGDDXQYFNW-QJVAEYLJSA-N -1 1 368.341 2.820 20 30 FFEDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2[O-])CC(F)(F)C1 ZINC001233387747 1036588368 /nfs/dbraw/zinc/58/83/68/1036588368.db2.gz WRPWVFQBHRGOTL-AWEZNQCLSA-N -1 1 367.396 2.998 20 30 FFEDMM CC[C@@H]1OC(C)=C(Oc2cc(C(=O)OC)cc([O-])c2Br)C1=O ZINC001233908625 1036824734 /nfs/dbraw/zinc/82/47/34/1036824734.db2.gz RVKSFJFPVZFPGB-JTQLQIEISA-N -1 1 371.183 2.930 20 30 FFEDMM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@@H](C)CON)c1OC ZINC001230440306 1037282158 /nfs/dbraw/zinc/28/21/58/1037282158.db2.gz NJYFPYJIHLYSDY-LXKVQUBZSA-N -1 1 373.405 2.963 20 30 FFEDMM COc1ncc(-c2cc(C#N)c3ccccc3n2)cc1[N-]S(C)(=O)=O ZINC001244792165 1038777985 /nfs/dbraw/zinc/77/79/85/1038777985.db2.gz GZZLGZWDNJIQIA-UHFFFAOYSA-N -1 1 354.391 2.549 20 30 FFEDMM CCCCCCC[C@@H](C)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001258043926 1039139786 /nfs/dbraw/zinc/13/97/86/1039139786.db2.gz UZYMADMTMINBEP-KGLIPLIRSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCCCC[C@@H](C)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001258043926 1039139792 /nfs/dbraw/zinc/13/97/92/1039139792.db2.gz UZYMADMTMINBEP-KGLIPLIRSA-N -1 1 356.469 2.751 20 30 FFEDMM CCCCCCC[C@@H](C)[N@@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001258043926 1039139778 /nfs/dbraw/zinc/13/97/78/1039139778.db2.gz UZYMADMTMINBEP-KGLIPLIRSA-N -1 1 356.469 2.751 20 30 FFEDMM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258202015 1039265536 /nfs/dbraw/zinc/26/55/36/1039265536.db2.gz VHOLFGMSFZYFFY-UHFFFAOYSA-N -1 1 352.213 2.825 20 30 FFEDMM C#Cc1ccc(NC(=O)N[C@H](CC(C)C)c2n[n-]c(C(=O)OCC)n2)cc1 ZINC001210354816 1039497051 /nfs/dbraw/zinc/49/70/51/1039497051.db2.gz IOPLLPSWHQOAIR-OAHLLOKOSA-N -1 1 369.425 2.872 20 30 FFEDMM C#Cc1ccc(NC(=O)N[C@H](CC(C)C)c2nnc(C(=O)OCC)[n-]2)cc1 ZINC001210354816 1039497058 /nfs/dbraw/zinc/49/70/58/1039497058.db2.gz IOPLLPSWHQOAIR-OAHLLOKOSA-N -1 1 369.425 2.872 20 30 FFEDMM C#Cc1ccc(NC(=O)N[C@H](CC(C)C)c2nc(C(=O)OCC)n[n-]2)cc1 ZINC001210354816 1039497069 /nfs/dbraw/zinc/49/70/69/1039497069.db2.gz IOPLLPSWHQOAIR-OAHLLOKOSA-N -1 1 369.425 2.872 20 30 FFEDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cccc(C#N)c1F)C(=O)C2 ZINC001258985959 1039640007 /nfs/dbraw/zinc/64/00/07/1039640007.db2.gz PXWKILDPTDVBSB-SJKOYZFVSA-N -1 1 350.415 2.834 20 30 FFEDMM COc1cccc(S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC001259190937 1039784684 /nfs/dbraw/zinc/78/46/84/1039784684.db2.gz MRKAUJXCEQRQSO-UHFFFAOYSA-N -1 1 369.258 2.806 20 30 FFEDMM N#Cc1nc(Cl)c([N-]c2cc(Br)cnc2F)nc1C#N ZINC001211272699 1040054623 /nfs/dbraw/zinc/05/46/23/1040054623.db2.gz ZGPMJRMWFHRPME-UHFFFAOYSA-N -1 1 353.542 2.914 20 30 FFEDMM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260331855 1040539280 /nfs/dbraw/zinc/53/92/80/1040539280.db2.gz UYKBPJZUUDDMRQ-GFCCVEGCSA-N -1 1 367.215 2.944 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCSC(C)(C)C1 ZINC001262943046 1041978963 /nfs/dbraw/zinc/97/89/63/1041978963.db2.gz FKPHIVDJEUQHPP-UHFFFAOYSA-N -1 1 372.498 2.836 20 30 FFEDMM Cc1c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cnn1-c1ccncc1 ZINC001263471474 1042331003 /nfs/dbraw/zinc/33/10/03/1042331003.db2.gz CUSCHGNNFDTLFH-GOSISDBHSA-N -1 1 373.416 2.523 20 30 FFEDMM C#C[C@@H]1CCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC2CC2)C1 ZINC001263673147 1042429571 /nfs/dbraw/zinc/42/95/71/1042429571.db2.gz KWKGWBAPMDGVLN-CYBMUJFWSA-N -1 1 364.453 2.578 20 30 FFEDMM C=CCC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001282135404 1045369658 /nfs/dbraw/zinc/36/96/58/1045369658.db2.gz URHZHQILELHDMR-JKSUJKDBSA-N -1 1 371.481 2.938 20 30 FFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001325075860 1046365128 /nfs/dbraw/zinc/36/51/28/1046365128.db2.gz RPFMICKEYGTQCC-RNCFNFMXSA-N -1 1 351.255 2.648 20 30 FFEDMM CC1(C)C[C@@H](C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)c2ccccc2O1 ZINC001325439381 1046509214 /nfs/dbraw/zinc/50/92/14/1046509214.db2.gz WLIXGELYEHJHFW-CQSZACIVSA-N -1 1 370.430 2.597 20 30 FFEDMM O=S1(=O)[N-]/C(=N/Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21 ZINC001326043580 1046740057 /nfs/dbraw/zinc/74/00/57/1046740057.db2.gz XEFCJSMSWICORT-UHFFFAOYSA-N -1 1 374.809 2.629 20 30 FFEDMM C=CC[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001332158952 1048273812 /nfs/dbraw/zinc/27/38/12/1048273812.db2.gz GGMBUUDVPZJAOR-MRXNPFEDSA-N -1 1 365.861 2.633 20 30 FFEDMM Cc1[nH]nc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1[O-] ZINC001292758124 1049387566 /nfs/dbraw/zinc/38/75/66/1049387566.db2.gz GTORFMPXDPYFPP-QGZVFWFLSA-N -1 1 362.389 2.997 20 30 FFEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 ZINC001339866268 1050282512 /nfs/dbraw/zinc/28/25/12/1050282512.db2.gz AGHDXDOVUOAPCK-ZDUSSCGKSA-N -1 1 356.821 2.639 20 30 FFEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 ZINC001339866268 1050282516 /nfs/dbraw/zinc/28/25/16/1050282516.db2.gz AGHDXDOVUOAPCK-ZDUSSCGKSA-N -1 1 356.821 2.639 20 30 FFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001342039713 1050638073 /nfs/dbraw/zinc/63/80/73/1050638073.db2.gz LGBRBWSABJLIAC-STQMWFEESA-N -1 1 354.458 2.986 20 30 FFEDMM C=C(C)CN(CC)c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1CC ZINC001340319584 1050717356 /nfs/dbraw/zinc/71/73/56/1050717356.db2.gz VLWHDNAILHRUCW-UHFFFAOYSA-N -1 1 365.441 2.925 20 30 FFEDMM C=CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(C)CC(C)C ZINC001342132293 1050726176 /nfs/dbraw/zinc/72/61/76/1050726176.db2.gz BJCFEYDEBKHXFI-UHFFFAOYSA-N -1 1 365.441 2.781 20 30 FFEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCc2sccc2[C@@H]1CC ZINC001343417123 1052217755 /nfs/dbraw/zinc/21/77/55/1052217755.db2.gz RHEKKKAYVMBOBQ-LBPRGKRZSA-N -1 1 356.459 2.610 20 30 FFEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCc2sccc2[C@@H]1CC ZINC001343417123 1052217765 /nfs/dbraw/zinc/21/77/65/1052217765.db2.gz RHEKKKAYVMBOBQ-LBPRGKRZSA-N -1 1 356.459 2.610 20 30 FFEDMM Cc1cccc(C#N)c1SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001307390034 1052298648 /nfs/dbraw/zinc/29/86/48/1052298648.db2.gz JBDFVTCYLNXUOU-UHFFFAOYSA-N -1 1 355.375 2.824 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001343760048 1052405601 /nfs/dbraw/zinc/40/56/01/1052405601.db2.gz LTURWRJKWZRCSL-HOCLYGCPSA-N -1 1 372.473 2.735 20 30 FFEDMM C=CC[C@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CCCOCC)C1 ZINC001346925174 1053449676 /nfs/dbraw/zinc/44/96/76/1053449676.db2.gz VPNJSBVHEXZYAH-AWEZNQCLSA-N -1 1 360.462 2.593 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001351770375 1054991772 /nfs/dbraw/zinc/99/17/72/1054991772.db2.gz XHTGQRRDZDHEPP-RISCZKNCSA-N -1 1 372.454 2.588 20 30 FFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC001338870929 1055887737 /nfs/dbraw/zinc/88/77/37/1055887737.db2.gz LBENOJVJPGNECT-CYBMUJFWSA-N -1 1 354.389 2.693 20 30 FFEDMM CCn1c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nnc1C(C)(C)C#N ZINC001339275040 1056280263 /nfs/dbraw/zinc/28/02/63/1056280263.db2.gz PPDMGNQOZVFFMS-UHFFFAOYSA-N -1 1 367.453 2.904 20 30 FFEDMM C[C@@H](CC#N)N(C)c1nnc(-c2nc(Cl)n[n-]2)n1Cc1cccs1 ZINC001518609479 1058440395 /nfs/dbraw/zinc/44/03/95/1058440395.db2.gz YTRIDHBCSVMKBL-VIFPVBQESA-N -1 1 362.850 2.565 20 30 FFEDMM N#C[C@H]1CCCN(c2nnc(-c3nc(Cl)n[n-]3)n2Cc2cccs2)C1 ZINC001515025359 1059234061 /nfs/dbraw/zinc/23/40/61/1059234061.db2.gz NVPNUZIWFJWRKR-SNVBAGLBSA-N -1 1 374.861 2.566 20 30 FFEDMM Cn1c(CC(C)(C)C#N)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001520002861 1059294521 /nfs/dbraw/zinc/29/45/21/1059294521.db2.gz JZFNNLUZPNKDKP-UHFFFAOYSA-N -1 1 367.453 2.712 20 30 FFEDMM N#CC(=C([O-])c1ccc(C(=O)NC2CC2)cc1)c1nc(N)c2ccccc2n1 ZINC001515114107 1059343530 /nfs/dbraw/zinc/34/35/30/1059343530.db2.gz LSXYKVOTDCCTQY-MRXNPFEDSA-N -1 1 371.400 2.594 20 30 FFEDMM N#C[C@H](NC(=O)c1cc(I)ccc1[O-])C1CCCC1 ZINC001455215606 1059728152 /nfs/dbraw/zinc/72/81/52/1059728152.db2.gz XVOBHHHSNHECHA-LBPRGKRZSA-N -1 1 370.190 2.809 20 30 FFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC([C@H]2CCCCO2)CC1 ZINC001515655960 1059736460 /nfs/dbraw/zinc/73/64/60/1059736460.db2.gz ZHUQKNVXBAKTHB-MRXNPFEDSA-N -1 1 372.473 2.735 20 30 FFEDMM N#Cc1ccc(C(=O)N2CCc3nccc(Br)c3C2)cc1[O-] ZINC001558998406 1071909631 /nfs/dbraw/zinc/90/96/31/1071909631.db2.gz KCACMJONPIBRJR-UHFFFAOYSA-N -1 1 358.195 2.620 20 30 FFEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cc(Br)co3)n2)cc1 ZINC001361287325 1062142003 /nfs/dbraw/zinc/14/20/03/1062142003.db2.gz JJKVHLSURPSQGE-UHFFFAOYSA-N -1 1 372.182 2.806 20 30 FFEDMM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(Cl)c1[O-] ZINC001472316369 1065012769 /nfs/dbraw/zinc/01/27/69/1065012769.db2.gz ORPUABOZKBEKDJ-UHFFFAOYSA-N -1 1 359.813 2.884 20 30 FFEDMM C[C@@H]1C[C@@H]1[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576093279 1078195097 /nfs/dbraw/zinc/19/50/97/1078195097.db2.gz AESFPMBVERKAJM-LYSGOOTNSA-N -1 1 366.816 2.991 20 30 FFEDMM C[C@@H]1C[C@@H]1[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576093279 1078195099 /nfs/dbraw/zinc/19/50/99/1078195099.db2.gz AESFPMBVERKAJM-LYSGOOTNSA-N -1 1 366.816 2.991 20 30 FFEDMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C#CC1CC1 ZINC001581044324 1078909782 /nfs/dbraw/zinc/90/97/82/1078909782.db2.gz UYCWOVPCCKTTIJ-UHFFFAOYSA-N -1 1 360.377 2.714 20 30 FFEDMM Cc1ccc(C2(CNc3cnc(-c4nnn[n-]4)c(C#N)n3)CCC2)cc1C ZINC001581181822 1078930249 /nfs/dbraw/zinc/93/02/49/1078930249.db2.gz CSWGZFNCKOVWLJ-UHFFFAOYSA-N -1 1 360.425 2.679 20 30 FFEDMM Cc1ccc(C2(CNc3cnc(-c4nn[n-]n4)c(C#N)n3)CCC2)cc1C ZINC001581181822 1078930255 /nfs/dbraw/zinc/93/02/55/1078930255.db2.gz CSWGZFNCKOVWLJ-UHFFFAOYSA-N -1 1 360.425 2.679 20 30 FFEDMM N#Cc1cccc([C@H](NCc2nc(-c3nnn[n-]3)cs2)C(F)(F)F)c1 ZINC001581875060 1079013044 /nfs/dbraw/zinc/01/30/44/1079013044.db2.gz UIYYYHKFLSJPQJ-LBPRGKRZSA-N -1 1 365.344 2.588 20 30 FFEDMM N#Cc1cccc([C@H](NCc2nc(-c3nn[n-]n3)cs2)C(F)(F)F)c1 ZINC001581875060 1079013049 /nfs/dbraw/zinc/01/30/49/1079013049.db2.gz UIYYYHKFLSJPQJ-LBPRGKRZSA-N -1 1 365.344 2.588 20 30 FFEDMM CC[C@@H](C#N)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001584460982 1079354130 /nfs/dbraw/zinc/35/41/30/1079354130.db2.gz PPARTEVENSQSEV-AWEZNQCLSA-N -1 1 357.435 2.653 20 30 FFEDMM COc1cnc([C@@H]2CCCN2C(=O)c2[nH]c3ccccc3c2C#N)[n-]c1=O ZINC001558703593 1076060084 /nfs/dbraw/zinc/06/00/84/1076060084.db2.gz UEEAWEGLCKWMAW-AWEZNQCLSA-N -1 1 363.377 2.521 20 30 FFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(=O)OCC ZINC001561828480 1076429559 /nfs/dbraw/zinc/42/95/59/1076429559.db2.gz PFVCLGZVLJMRFQ-CYBMUJFWSA-N -1 1 351.896 2.951 20 30 FFEDMM C#C[C@H](NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC001564998363 1076676996 /nfs/dbraw/zinc/67/69/96/1076676996.db2.gz XHBHANYGRUUBEX-QEJZJMRPSA-N -1 1 367.371 2.602 20 30 FFEDMM C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001573689683 1077764618 /nfs/dbraw/zinc/76/46/18/1077764618.db2.gz DVSMSCHIYMHEAF-ASKKUZCQSA-N -1 1 357.454 2.501 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001588401377 1080011039 /nfs/dbraw/zinc/01/10/39/1080011039.db2.gz QPLYKSXHBZSWIN-TVQRCGJNSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C(C)[C@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001588401377 1080011046 /nfs/dbraw/zinc/01/10/46/1080011046.db2.gz QPLYKSXHBZSWIN-TVQRCGJNSA-N -1 1 354.336 2.674 20 30 FFEDMM C=C[C@H](C)ONC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001588519338 1080072032 /nfs/dbraw/zinc/07/20/32/1080072032.db2.gz XZRICYIODMEXML-NSHDSACASA-N -1 1 370.438 2.901 20 30 FFEDMM C=CCCCC(=O)NC[C@H](CC)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588587363 1080110884 /nfs/dbraw/zinc/11/08/84/1080110884.db2.gz VQUZSEWKVYLULN-VIFPVBQESA-N -1 1 369.882 2.640 20 30 FFEDMM C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc([O-])c1F ZINC001588648245 1080138596 /nfs/dbraw/zinc/13/85/96/1080138596.db2.gz LVUCWBSQAPBZOY-UHFFFAOYSA-N -1 1 353.357 2.540 20 30 FFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2nc3ccccc3n2C(F)F)o1 ZINC001588782716 1080194901 /nfs/dbraw/zinc/19/49/01/1080194901.db2.gz VNJFXSSVBYYILY-UHFFFAOYSA-N -1 1 373.327 2.744 20 30 FFEDMM C=CCOC[C@H](NCc1c(-c2ccccc2)nc2sccn21)C(=O)[O-] ZINC001588866715 1080221191 /nfs/dbraw/zinc/22/11/91/1080221191.db2.gz SKPROIJAXMWBHD-AWEZNQCLSA-N -1 1 357.435 2.808 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589341589 1080489759 /nfs/dbraw/zinc/48/97/59/1080489759.db2.gz HVZFLUNQWPWWSN-SJORKVTESA-N -1 1 357.454 2.899 20 30 FFEDMM CC(C)CCN(CCC#N)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001589600699 1080629882 /nfs/dbraw/zinc/62/98/82/1080629882.db2.gz UAFVZPJMWFQCTJ-UHFFFAOYSA-N -1 1 351.414 2.750 20 30 FFEDMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccc(C#N)cc1 ZINC001590014277 1080941807 /nfs/dbraw/zinc/94/18/07/1080941807.db2.gz ZZKIMOQCBIPRLB-VIFPVBQESA-N -1 1 354.757 2.705 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1Cl ZINC000330876852 258172400 /nfs/dbraw/zinc/17/24/00/258172400.db2.gz VUQKNIAAMSIHCC-UHFFFAOYSA-N -1 1 368.764 2.601 20 30 FFEDMM N#Cc1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1[O-] ZINC000331481331 258187835 /nfs/dbraw/zinc/18/78/35/258187835.db2.gz INUVJVXUEMHHMV-UHFFFAOYSA-N -1 1 370.453 2.500 20 30 FFEDMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)n1C ZINC000370907248 512127871 /nfs/dbraw/zinc/12/78/71/512127871.db2.gz CLIMFDMPDZKGIK-UHFFFAOYSA-N -1 1 367.434 2.771 20 30 FFEDMM C#CC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000371090805 512214732 /nfs/dbraw/zinc/21/47/32/512214732.db2.gz WDSHPVMOPSXYBM-LJQANCHMSA-N -1 1 372.428 2.976 20 30 FFEDMM CCN(CC)c1n[nH]c([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)c1C#N ZINC000410333762 512241408 /nfs/dbraw/zinc/24/14/08/512241408.db2.gz USWKZPBJYCSXJX-UHFFFAOYSA-N -1 1 361.471 2.686 20 30 FFEDMM N#Cc1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000371172388 512253494 /nfs/dbraw/zinc/25/34/94/512253494.db2.gz DULSHCXWERAZKG-UHFFFAOYSA-N -1 1 352.350 2.666 20 30 FFEDMM CC(C)Oc1c(NS(=O)(=O)c2cccc(C#N)c2)cccc1C(=O)[O-] ZINC000410400940 512253832 /nfs/dbraw/zinc/25/38/32/512253832.db2.gz KOSQDHBLUHWSEA-UHFFFAOYSA-N -1 1 360.391 2.844 20 30 FFEDMM Cc1csc(C(C#N)=C([O-])c2ccc(CN3C(=O)CCC3=O)cc2)n1 ZINC000041518946 506527807 /nfs/dbraw/zinc/52/78/07/506527807.db2.gz PAXHSEAWJMCNDH-AWEZNQCLSA-N -1 1 353.403 2.591 20 30 FFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000010514782 506744394 /nfs/dbraw/zinc/74/43/94/506744394.db2.gz LHUNZEKYIDAHNA-UHFFFAOYSA-N -1 1 350.783 2.784 20 30 FFEDMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000055632413 506806929 /nfs/dbraw/zinc/80/69/29/506806929.db2.gz BWGIDDAJAZEQJU-UHFFFAOYSA-N -1 1 357.435 2.887 20 30 FFEDMM N#CCSCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058254967 507394458 /nfs/dbraw/zinc/39/44/58/507394458.db2.gz QKMJTKLWZMFCOZ-UHFFFAOYSA-N -1 1 361.448 2.683 20 30 FFEDMM C=CCOCCCC(=O)N1CCC[C@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC000080208871 508051994 /nfs/dbraw/zinc/05/19/94/508051994.db2.gz RGBZVOWWIDEXTK-ZDUSSCGKSA-N -1 1 350.488 2.964 20 30 FFEDMM CC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000102351146 508272912 /nfs/dbraw/zinc/27/29/12/508272912.db2.gz BTSWMZZTKQJXAY-CQSZACIVSA-N -1 1 361.398 2.658 20 30 FFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(CCC#N)CCC(C)C ZINC000103440135 508312047 /nfs/dbraw/zinc/31/20/47/508312047.db2.gz UPUKACCYXJMFPM-UHFFFAOYSA-N -1 1 357.458 2.773 20 30 FFEDMM CC[C@](C)(C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127588072 508473074 /nfs/dbraw/zinc/47/30/74/508473074.db2.gz ATBGTXDSGGHHSG-GOSISDBHSA-N -1 1 357.435 2.909 20 30 FFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000125280195 508959363 /nfs/dbraw/zinc/95/93/63/508959363.db2.gz LEWWIFWPEWYBMR-UHFFFAOYSA-N -1 1 372.450 2.774 20 30 FFEDMM COc1cc(C(=O)[N-]c2c(C#N)c(SC)nn2-c2ccccc2)on1 ZINC000125670860 509014551 /nfs/dbraw/zinc/01/45/51/509014551.db2.gz FDUIHGVNZZVEEZ-UHFFFAOYSA-N -1 1 355.379 2.715 20 30 FFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000126826665 509134233 /nfs/dbraw/zinc/13/42/33/509134233.db2.gz NCJOSRBJETXNSS-UHFFFAOYSA-N -1 1 374.466 2.784 20 30 FFEDMM COC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)c(F)c1 ZINC000189049441 509386899 /nfs/dbraw/zinc/38/68/99/509386899.db2.gz HQJYIYCYMFVQRO-OAHLLOKOSA-N -1 1 362.744 2.700 20 30 FFEDMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)N(C)CCC#N)nc1-c1ccccc1 ZINC000163921602 509440415 /nfs/dbraw/zinc/44/04/15/509440415.db2.gz IRYTXLJMIPGNDL-CYBMUJFWSA-N -1 1 356.451 2.598 20 30 FFEDMM C=CC[C@@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000189558047 509635719 /nfs/dbraw/zinc/63/57/19/509635719.db2.gz JJGIQGOWFIWGHH-MRXNPFEDSA-N -1 1 350.422 2.616 20 30 FFEDMM N#Cc1cc(F)c(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)c(F)c1 ZINC000183272226 509690019 /nfs/dbraw/zinc/69/00/19/509690019.db2.gz CZUIIPDKALNUAT-UHFFFAOYSA-N -1 1 357.295 2.937 20 30 FFEDMM CC[C@@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000183805449 509984359 /nfs/dbraw/zinc/98/43/59/509984359.db2.gz VNRIBDYMQXHTEV-HNNXBMFYSA-N -1 1 357.435 2.909 20 30 FFEDMM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190668295 510273491 /nfs/dbraw/zinc/27/34/91/510273491.db2.gz QCZVENULDLHRKB-LURJTMIESA-N -1 1 355.616 2.822 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1[O-] ZINC000188423403 510760323 /nfs/dbraw/zinc/76/03/23/510760323.db2.gz CKTRMAHSQAKWPB-AWEZNQCLSA-N -1 1 373.359 2.874 20 30 FFEDMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000172590344 510809680 /nfs/dbraw/zinc/80/96/80/510809680.db2.gz LLWHYPPLDKERNE-UHFFFAOYSA-N -1 1 357.435 2.807 20 30 FFEDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccc(C)c1C ZINC000185370135 510825358 /nfs/dbraw/zinc/82/53/58/510825358.db2.gz KUJAXKUBSRWWST-SFHVURJKSA-N -1 1 372.446 2.758 20 30 FFEDMM CCOC(=O)C(=C([O-])CSc1ccc(C#N)cn1)c1nc(C)cs1 ZINC000298324939 511245711 /nfs/dbraw/zinc/24/57/11/511245711.db2.gz WKKRKEALAJPCKL-CQSZACIVSA-N -1 1 361.448 2.726 20 30 FFEDMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC3(C#N)CC3)n2)cc1 ZINC000274211299 511755398 /nfs/dbraw/zinc/75/53/98/511755398.db2.gz LCCXBRKSTOITQL-GFCCVEGCSA-N -1 1 360.439 2.583 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(Cl)c1 ZINC000321820577 511821725 /nfs/dbraw/zinc/82/17/25/511821725.db2.gz CRRPKFJWOSNIDS-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM N#Cc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cn1 ZINC000366187853 511888835 /nfs/dbraw/zinc/88/88/35/511888835.db2.gz ZHJHJMVMGYBBRL-UHFFFAOYSA-N -1 1 358.401 2.774 20 30 FFEDMM N#Cc1cc2c(nc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)CCCC2 ZINC000282043459 512057869 /nfs/dbraw/zinc/05/78/69/512057869.db2.gz YXUKQCPBYRIZLP-UHFFFAOYSA-N -1 1 366.387 2.727 20 30 FFEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(C#N)cc2C(C)=O)c(=O)[n-]1 ZINC000411065805 512457520 /nfs/dbraw/zinc/45/75/20/512457520.db2.gz OMAJUFDOHVBKGY-UHFFFAOYSA-N -1 1 370.434 2.858 20 30 FFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000380534110 512872978 /nfs/dbraw/zinc/87/29/78/512872978.db2.gz AEVHRTSJEQLWJD-UHFFFAOYSA-N -1 1 356.176 2.656 20 30 FFEDMM C=C(C)C(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000424747737 513264187 /nfs/dbraw/zinc/26/41/87/513264187.db2.gz GTTRCCUOWGBFOT-UHFFFAOYSA-N -1 1 352.456 2.718 20 30 FFEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(CC#N)c3)cc2C[C@@H]1C ZINC000451107071 513528395 /nfs/dbraw/zinc/52/83/95/513528395.db2.gz HCBZWZRFLKTUDP-ZDUSSCGKSA-N -1 1 369.446 2.851 20 30 FFEDMM CCOC(=O)[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)Cc2ccccc21 ZINC000443057711 513856723 /nfs/dbraw/zinc/85/67/23/513856723.db2.gz KTXKIMUKJZBJJX-KRWDZBQOSA-N -1 1 350.374 2.567 20 30 FFEDMM Cn1ccc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(F)cc2)n1 ZINC000443124212 513878617 /nfs/dbraw/zinc/87/86/17/513878617.db2.gz AOKSZMXRGQIFBJ-GOSISDBHSA-N -1 1 350.353 2.656 20 30 FFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000416662686 513895448 /nfs/dbraw/zinc/89/54/48/513895448.db2.gz OYLOEPREFOLSCX-OAHLLOKOSA-N -1 1 374.418 2.684 20 30 FFEDMM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(F)ccc3[O-])C2)c(F)c1 ZINC000436556542 513897838 /nfs/dbraw/zinc/89/78/38/513897838.db2.gz QSNMVZNPAFPQOA-CQSZACIVSA-N -1 1 357.360 2.941 20 30 FFEDMM N#Cc1ccc(C(=O)NC[C@H](CO)Cc2c(F)cccc2Cl)cc1[O-] ZINC000443278309 513918020 /nfs/dbraw/zinc/91/80/20/513918020.db2.gz VPJSGHFPBVKJIX-LLVKDONJSA-N -1 1 362.788 2.637 20 30 FFEDMM C=CCN(C(=O)c1ncc(C)cc1[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444371876 514213916 /nfs/dbraw/zinc/21/39/16/514213916.db2.gz NXXWTUDJWVQKBZ-KRWDZBQOSA-N -1 1 368.433 2.898 20 30 FFEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)c1 ZINC000507933524 514615942 /nfs/dbraw/zinc/61/59/42/514615942.db2.gz CAKVDPGSRJUCBO-UHFFFAOYSA-N -1 1 373.434 2.886 20 30 FFEDMM Cc1cccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c1C#N ZINC000484492871 514667326 /nfs/dbraw/zinc/66/73/26/514667326.db2.gz LCCXRRNEWOOFKS-UHFFFAOYSA-N -1 1 352.318 2.644 20 30 FFEDMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000467694449 515082808 /nfs/dbraw/zinc/08/28/08/515082808.db2.gz FRIBLIICFZVBCQ-INIZCTEOSA-N -1 1 372.808 2.821 20 30 FFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000509972010 515386516 /nfs/dbraw/zinc/38/65/16/515386516.db2.gz UWASSMKXANNXJY-UHFFFAOYSA-N -1 1 365.238 2.608 20 30 FFEDMM Cc1cc(C#N)cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000456972449 515556478 /nfs/dbraw/zinc/55/64/78/515556478.db2.gz VBNPLRILDXLYTF-UHFFFAOYSA-N -1 1 361.423 2.789 20 30 FFEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1ccc(C)c(C)c1 ZINC000468958089 515599900 /nfs/dbraw/zinc/59/99/00/515599900.db2.gz NZDXYTGDSSZADD-GOSISDBHSA-N -1 1 372.446 2.676 20 30 FFEDMM CC1(C#N)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000482651699 515752994 /nfs/dbraw/zinc/75/29/94/515752994.db2.gz ZFBZLPFKHVQNGX-UHFFFAOYSA-N -1 1 373.409 2.612 20 30 FFEDMM N#Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000547866064 516607888 /nfs/dbraw/zinc/60/78/88/516607888.db2.gz QWPHWWUYARRJAS-UHFFFAOYSA-N -1 1 354.746 2.850 20 30 FFEDMM Cc1cccc2nc(C(C#N)=C([O-])c3nn(C)c4ccccc4c3=O)[nH]c21 ZINC000524031518 516632200 /nfs/dbraw/zinc/63/22/00/516632200.db2.gz GHSTYHVPHVKWEY-ZDUSSCGKSA-N -1 1 357.373 2.608 20 30 FFEDMM CCc1c(C)sc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)c1C#N ZINC000524106134 516642853 /nfs/dbraw/zinc/64/28/53/516642853.db2.gz YLQOJDMGTOTLOW-UHFFFAOYSA-N -1 1 367.452 2.586 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000548241228 516846457 /nfs/dbraw/zinc/84/64/57/516846457.db2.gz UOFITBAWRMUEQH-RISCZKNCSA-N -1 1 372.393 2.538 20 30 FFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000548241229 516846614 /nfs/dbraw/zinc/84/66/14/516846614.db2.gz UOFITBAWRMUEQH-SMDDNHRTSA-N -1 1 372.393 2.538 20 30 FFEDMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(C#N)cc2C)n[n-]1 ZINC000552007988 517024605 /nfs/dbraw/zinc/02/46/05/517024605.db2.gz AEEZANPPINXEEK-HNNXBMFYSA-N -1 1 369.425 2.679 20 30 FFEDMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(C#N)cc2C)[n-]1 ZINC000552007988 517024616 /nfs/dbraw/zinc/02/46/16/517024616.db2.gz AEEZANPPINXEEK-HNNXBMFYSA-N -1 1 369.425 2.679 20 30 FFEDMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ccc(C#N)cc2C)n1 ZINC000552007988 517024621 /nfs/dbraw/zinc/02/46/21/517024621.db2.gz AEEZANPPINXEEK-HNNXBMFYSA-N -1 1 369.425 2.679 20 30 FFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCC#N)cc1 ZINC000541452598 517054851 /nfs/dbraw/zinc/05/48/51/517054851.db2.gz WGVNLNZBSRHGTM-UHFFFAOYSA-N -1 1 357.435 2.829 20 30 FFEDMM N#Cc1ccc(C(=O)NC2(c3noc(C(F)(F)F)n3)CCCC2)cc1[O-] ZINC000515356053 517316565 /nfs/dbraw/zinc/31/65/65/517316565.db2.gz QRAJMRACOHRVKR-UHFFFAOYSA-N -1 1 366.299 2.865 20 30 FFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1OCCO ZINC000542051931 517360121 /nfs/dbraw/zinc/36/01/21/517360121.db2.gz YMAUCEVWFAIHHZ-UHFFFAOYSA-N -1 1 366.826 2.692 20 30 FFEDMM CC#CCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000542673041 517681133 /nfs/dbraw/zinc/68/11/33/517681133.db2.gz CSAJVJIDNWDCNG-UHFFFAOYSA-N -1 1 374.437 2.699 20 30 FFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CC2)o1 ZINC000553777443 517899282 /nfs/dbraw/zinc/89/92/82/517899282.db2.gz VDYBQKYGVKXIGE-UHFFFAOYSA-N -1 1 367.224 2.881 20 30 FFEDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc(C(F)(F)F)c(C#N)n2)cn1 ZINC000550345807 518007327 /nfs/dbraw/zinc/00/73/27/518007327.db2.gz KBOGIMHEJUPPNT-UHFFFAOYSA-N -1 1 358.301 2.531 20 30 FFEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC000575633642 518241969 /nfs/dbraw/zinc/24/19/69/518241969.db2.gz WZZSZDZJFIXFBV-UHFFFAOYSA-N -1 1 350.371 2.523 20 30 FFEDMM Cc1cc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)ccc1C#N ZINC000566893378 518250291 /nfs/dbraw/zinc/25/02/91/518250291.db2.gz XLMCMZMAYAYLHL-UHFFFAOYSA-N -1 1 355.423 2.993 20 30 FFEDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccco1 ZINC000569969666 518380915 /nfs/dbraw/zinc/38/09/15/518380915.db2.gz AQWYSYUYLYFIME-GOSISDBHSA-N -1 1 369.402 2.623 20 30 FFEDMM COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000588051539 518710594 /nfs/dbraw/zinc/71/05/94/518710594.db2.gz BPQUZVHKPYZKNF-QGZVFWFLSA-N -1 1 352.390 2.956 20 30 FFEDMM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589158124 518932404 /nfs/dbraw/zinc/93/24/04/518932404.db2.gz FEEBHKUFBDCVBJ-UHFFFAOYSA-N -1 1 367.405 2.763 20 30 FFEDMM CCOC(=O)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000589171836 518937728 /nfs/dbraw/zinc/93/77/28/518937728.db2.gz OFFMUPRNFDUFME-KRWDZBQOSA-N -1 1 356.353 2.827 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000589169090 518938745 /nfs/dbraw/zinc/93/87/45/518938745.db2.gz ZRNLRIQTCWFFEQ-UHFFFAOYSA-N -1 1 358.401 2.868 20 30 FFEDMM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589187817 518943442 /nfs/dbraw/zinc/94/34/42/518943442.db2.gz WEFNNLSBCJJYDN-LLVKDONJSA-N -1 1 364.361 2.813 20 30 FFEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)ccc1F ZINC000583091836 519072611 /nfs/dbraw/zinc/07/26/11/519072611.db2.gz SCEFTDPJBYMLQS-UHFFFAOYSA-N -1 1 351.334 2.596 20 30 FFEDMM Cc1ncc(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])cc1C#N ZINC000589973942 519115553 /nfs/dbraw/zinc/11/55/53/519115553.db2.gz WZBJPZPHWNRUGA-UHFFFAOYSA-N -1 1 365.798 2.723 20 30 FFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCOC3)n1 ZINC000595240508 520366361 /nfs/dbraw/zinc/36/63/61/520366361.db2.gz GCHDREWDEVQANM-CQSZACIVSA-N -1 1 356.403 2.883 20 30 FFEDMM CCOC(=O)c1sc([N-]C(=O)c2snnc2CC)c(C#N)c1C ZINC000604480594 520573549 /nfs/dbraw/zinc/57/35/49/520573549.db2.gz JTPCUXOWNLSWSR-UHFFFAOYSA-N -1 1 350.425 2.771 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1 ZINC000617636321 520616005 /nfs/dbraw/zinc/61/60/05/520616005.db2.gz KJRUMXQKGZBXFZ-CTNGQTDRSA-N -1 1 368.408 2.907 20 30 FFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1[O-] ZINC000598502353 520660167 /nfs/dbraw/zinc/66/01/67/520660167.db2.gz OSZYNIIAEFSFMZ-QZTJIDSGSA-N -1 1 363.417 2.735 20 30 FFEDMM CC[C@]([N-]S(=O)(=O)c1ccccc1CC#N)(C(=O)OC)c1ccccc1 ZINC000601340230 520748834 /nfs/dbraw/zinc/74/88/34/520748834.db2.gz NBGJSLIDOKHBEI-LJQANCHMSA-N -1 1 372.446 2.509 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000614293991 520894745 /nfs/dbraw/zinc/89/47/45/520894745.db2.gz HDIOVEWDZCNWPT-OAHLLOKOSA-N -1 1 365.437 2.602 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)c1 ZINC000614367118 520927621 /nfs/dbraw/zinc/92/76/21/520927621.db2.gz GEZWJLYXOOZENX-MRXNPFEDSA-N -1 1 371.393 2.557 20 30 FFEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)C(F)(F)F)cc1[O-] ZINC000615485024 521420409 /nfs/dbraw/zinc/42/04/09/521420409.db2.gz MGJQOQJZLPQPKA-INIZCTEOSA-N -1 1 364.323 2.829 20 30 FFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1 ZINC000628735859 521757708 /nfs/dbraw/zinc/75/77/08/521757708.db2.gz SQBQBUHDLAMHAM-NRFANRHFSA-N -1 1 362.385 2.904 20 30 FFEDMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619548060 521764867 /nfs/dbraw/zinc/76/48/67/521764867.db2.gz WDEFIMLYPYSWTC-UHFFFAOYSA-N -1 1 372.450 2.955 20 30 FFEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1c(Cl)cccc1Cl ZINC000737675610 599030250 /nfs/dbraw/zinc/03/02/50/599030250.db2.gz PZHFTWHMEMESAI-LBPRGKRZSA-N -1 1 374.191 2.563 20 30 FFEDMM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1c(Cl)cccc1Cl ZINC000737675610 599030252 /nfs/dbraw/zinc/03/02/52/599030252.db2.gz PZHFTWHMEMESAI-LBPRGKRZSA-N -1 1 374.191 2.563 20 30 FFEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817733671 597071227 /nfs/dbraw/zinc/07/12/27/597071227.db2.gz QOOXRNLGHSNJIM-CABCVRRESA-N -1 1 361.417 2.648 20 30 FFEDMM CCc1oc2ccccc2c1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC000736712715 598424109 /nfs/dbraw/zinc/42/41/09/598424109.db2.gz JWYNWDTVNULQAX-UHFFFAOYSA-N -1 1 362.393 2.836 20 30 FFEDMM C=CCCCCCN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819739736 599343869 /nfs/dbraw/zinc/34/38/69/599343869.db2.gz FVSQCUNVECWPMC-UHFFFAOYSA-N -1 1 369.878 2.887 20 30 FFEDMM C[C@H](/N=C\c1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000738217267 600153646 /nfs/dbraw/zinc/15/36/46/600153646.db2.gz SFEIHVMCQAWZCM-OJUYWVBPSA-N -1 1 350.994 2.809 20 30 FFEDMM C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661765 600521581 /nfs/dbraw/zinc/52/15/81/600521581.db2.gz IKLKXRSLUQCTKW-UONOGXRCSA-N -1 1 351.406 2.612 20 30 FFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000739106201 600564059 /nfs/dbraw/zinc/56/40/59/600564059.db2.gz QWAKXNQIRDPAAO-IBGZPJMESA-N -1 1 363.417 2.532 20 30 FFEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N ZINC000832849509 601524691 /nfs/dbraw/zinc/52/46/91/601524691.db2.gz HMXWHHBQGBCQGK-SJCJKPOMSA-N -1 1 372.469 2.683 20 30 FFEDMM CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCC(NC(=O)[O-])CC1 ZINC000828427370 603789791 /nfs/dbraw/zinc/78/97/91/603789791.db2.gz ZFUIPFMOPSKZQQ-UHFFFAOYSA-N -1 1 355.398 2.619 20 30 FFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000833515903 604965185 /nfs/dbraw/zinc/96/51/85/604965185.db2.gz PCJBFKJLUWSNKS-KBPBESRZSA-N -1 1 361.467 2.958 20 30 FFEDMM Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CSCCN3C(=O)[O-])[nH]c21 ZINC000830533722 605420793 /nfs/dbraw/zinc/42/07/93/605420793.db2.gz YQRCKSAUFHPMLT-NWDGAFQWSA-N -1 1 358.423 2.533 20 30 FFEDMM N#Cc1ccc(O)c(NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)c1 ZINC000833976996 605539262 /nfs/dbraw/zinc/53/92/62/605539262.db2.gz KGRDXWIZDUBBDM-UHFFFAOYSA-N -1 1 365.389 2.914 20 30 FFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](CNC(=O)[O-])C[C@@H]1C ZINC000833788298 605891705 /nfs/dbraw/zinc/89/17/05/605891705.db2.gz UHFUJELHPHQHSM-KKUMJFAQSA-N -1 1 365.499 2.629 20 30 FFEDMM N#Cc1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C2CC2)cc1 ZINC000822826078 606503924 /nfs/dbraw/zinc/50/39/24/606503924.db2.gz UFBKLSASJKZBJM-UHFFFAOYSA-N -1 1 350.407 2.605 20 30 FFEDMM N#Cc1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C2CC2)cc1 ZINC000822826078 606503926 /nfs/dbraw/zinc/50/39/26/606503926.db2.gz UFBKLSASJKZBJM-UHFFFAOYSA-N -1 1 350.407 2.605 20 30 FFEDMM CC#CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823942894 608102885 /nfs/dbraw/zinc/10/28/85/608102885.db2.gz KVCCUGAAAXVWES-UHFFFAOYSA-N -1 1 351.341 2.551 20 30 FFEDMM CC#CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823942894 608102886 /nfs/dbraw/zinc/10/28/86/608102886.db2.gz KVCCUGAAAXVWES-UHFFFAOYSA-N -1 1 351.341 2.551 20 30 FFEDMM