smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCC(=O)c1ccc2c(c1)CCCC2)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404869 607347035 /nfs/dbraw/zinc/34/70/35/607347035.db2.gz OHLBZEARKLQGPE-UHFFFAOYSA-N -1 3 390.447 2.852 20 50 GFGDHM O=C(CCOc1ccc(F)c(Cl)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408047 607347106 /nfs/dbraw/zinc/34/71/06/607347106.db2.gz NKALPPJYLDMLNV-UHFFFAOYSA-N -1 3 376.779 2.571 20 50 GFGDHM Cc1ccc([C@H]2OCCC[C@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285557 607351699 /nfs/dbraw/zinc/35/16/99/607351699.db2.gz CPWDIPHCLWKVIG-QZTJIDSGSA-N -1 3 378.436 2.786 20 50 GFGDHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825782331 607568899 /nfs/dbraw/zinc/56/88/99/607568899.db2.gz CTKRTFSESIMNLW-MRXNPFEDSA-N -1 3 380.456 2.700 20 50 GFGDHM CCn1c(C)cc2c1CCC[C@H]2NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825782331 607568901 /nfs/dbraw/zinc/56/89/01/607568901.db2.gz CTKRTFSESIMNLW-MRXNPFEDSA-N -1 3 380.456 2.700 20 50 GFGDHM Cc1cccc(-c2nc(CC(=O)NNc3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826295530 607713991 /nfs/dbraw/zinc/71/39/91/607713991.db2.gz LLJCZOIITBLRHY-UHFFFAOYSA-N -1 3 391.460 2.984 20 50 GFGDHM Cc1cccc(-c2nc(CC(=O)NNc3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826295530 607713992 /nfs/dbraw/zinc/71/39/92/607713992.db2.gz LLJCZOIITBLRHY-UHFFFAOYSA-N -1 3 391.460 2.984 20 50 GFGDHM O=C(CCc1cccc(Br)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409195 607716079 /nfs/dbraw/zinc/71/60/79/607716079.db2.gz MQDRKUXLAJJLTE-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM O=C(CCc1cccc(Br)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409195 607716081 /nfs/dbraw/zinc/71/60/81/607716081.db2.gz MQDRKUXLAJJLTE-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1[nH]c2ccccc2c1Br ZINC000826448083 607726881 /nfs/dbraw/zinc/72/68/81/607726881.db2.gz HRUGRTXDXFZYHG-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1[nH]c2ccccc2c1Br ZINC000826448083 607726884 /nfs/dbraw/zinc/72/68/84/607726884.db2.gz HRUGRTXDXFZYHG-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000823281113 606127438 /nfs/dbraw/zinc/12/74/38/606127438.db2.gz MKRBLKVVMVXRBB-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000823281113 606127440 /nfs/dbraw/zinc/12/74/40/606127440.db2.gz MKRBLKVVMVXRBB-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2c(c1)CCO2 ZINC000823281206 606127692 /nfs/dbraw/zinc/12/76/92/606127692.db2.gz OCFPBCWDOXPCOF-UHFFFAOYSA-N -1 3 390.325 2.577 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2c(c1)CCO2 ZINC000823281206 606127694 /nfs/dbraw/zinc/12/76/94/606127694.db2.gz OCFPBCWDOXPCOF-UHFFFAOYSA-N -1 3 390.325 2.577 20 50 GFGDHM O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000823281394 606583020 /nfs/dbraw/zinc/58/30/20/606583020.db2.gz RPPSQIAFJBJFSL-UHFFFAOYSA-N -1 3 399.314 2.612 20 50 GFGDHM O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000823281394 606583022 /nfs/dbraw/zinc/58/30/22/606583022.db2.gz RPPSQIAFJBJFSL-UHFFFAOYSA-N -1 3 399.314 2.612 20 50 GFGDHM COc1cc(Cl)c(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826179848 607816309 /nfs/dbraw/zinc/81/63/09/607816309.db2.gz HRZWQQNYPXNMFQ-UHFFFAOYSA-N -1 3 391.218 2.946 20 50 GFGDHM COc1cc(Cl)c(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826179848 607816310 /nfs/dbraw/zinc/81/63/10/607816310.db2.gz HRZWQQNYPXNMFQ-UHFFFAOYSA-N -1 3 391.218 2.946 20 50 GFGDHM CC(C)c1ccc(CC=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824348074 608015261 /nfs/dbraw/zinc/01/52/61/608015261.db2.gz YRCGBQILLHLDCP-UHFFFAOYSA-N -1 3 378.436 2.714 20 50 GFGDHM CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953667 608094331 /nfs/dbraw/zinc/09/43/31/608094331.db2.gz KXZNZUYAVGPKLQ-UHFFFAOYSA-N -1 3 378.364 2.684 20 50 GFGDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NNc1c(Cl)cc(F)cc1Cl ZINC000826422327 608452124 /nfs/dbraw/zinc/45/21/24/608452124.db2.gz UZRKXWXLZRUZLA-UHFFFAOYSA-N -1 3 381.198 2.998 20 50 GFGDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NNc1c(Cl)cc(F)cc1Cl ZINC000826422327 608452125 /nfs/dbraw/zinc/45/21/25/608452125.db2.gz UZRKXWXLZRUZLA-UHFFFAOYSA-N -1 3 381.198 2.998 20 50 GFGDHM C[C@H](c1ccccc1)n1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824771151 608815483 /nfs/dbraw/zinc/81/54/83/608815483.db2.gz PRNBVECQLGJNSU-CYBMUJFWSA-N -1 3 389.423 2.821 20 50 GFGDHM C[C@H](c1ccccc1)n1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824771151 608815486 /nfs/dbraw/zinc/81/54/86/608815486.db2.gz PRNBVECQLGJNSU-CYBMUJFWSA-N -1 3 389.423 2.821 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826263517 609260031 /nfs/dbraw/zinc/26/00/31/609260031.db2.gz FSDGHMACVKDQRU-UHFFFAOYSA-N -1 3 388.435 2.735 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826263517 609260032 /nfs/dbraw/zinc/26/00/32/609260032.db2.gz FSDGHMACVKDQRU-UHFFFAOYSA-N -1 3 388.435 2.735 20 50 GFGDHM CCOc1ccc(C(=O)NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000825632017 609276251 /nfs/dbraw/zinc/27/62/51/609276251.db2.gz JNTHGXZWPFYJLE-UHFFFAOYSA-N -1 3 398.398 2.567 20 50 GFGDHM CCOc1ccc(C(=O)NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000825632017 609276253 /nfs/dbraw/zinc/27/62/53/609276253.db2.gz JNTHGXZWPFYJLE-UHFFFAOYSA-N -1 3 398.398 2.567 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(c3ccccc3C)C2)cc(-c2nnn[n-]2)n1C ZINC000826306715 609502843 /nfs/dbraw/zinc/50/28/43/609502843.db2.gz JBEKPFRJACVVAS-ZDLGFXPLSA-N -1 3 399.458 2.655 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(c3ccccc3C)C2)cc(-c2nn[n-]n2)n1C ZINC000826306715 609502844 /nfs/dbraw/zinc/50/28/44/609502844.db2.gz JBEKPFRJACVVAS-ZDLGFXPLSA-N -1 3 399.458 2.655 20 50 GFGDHM CCc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(C)cc1 ZINC000825688249 607345625 /nfs/dbraw/zinc/34/56/25/607345625.db2.gz VIGSQNQBAFCNCB-UHFFFAOYSA-N -1 3 388.435 2.680 20 50 GFGDHM Cc1ncc(C=CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000826329923 607395076 /nfs/dbraw/zinc/39/50/76/607395076.db2.gz YDPSWNICLKAHGZ-HWKANZROSA-N -1 3 395.370 2.807 20 50 GFGDHM Cc1ncc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000826329923 607395079 /nfs/dbraw/zinc/39/50/79/607395079.db2.gz YDPSWNICLKAHGZ-HWKANZROSA-N -1 3 395.370 2.807 20 50 GFGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826408862 607397466 /nfs/dbraw/zinc/39/74/66/607397466.db2.gz XZXNSMFTYHPEBV-UHFFFAOYSA-N -1 3 387.787 2.504 20 50 GFGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826408862 607397467 /nfs/dbraw/zinc/39/74/67/607397467.db2.gz XZXNSMFTYHPEBV-UHFFFAOYSA-N -1 3 387.787 2.504 20 50 GFGDHM Cc1nc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)s1 ZINC000826323777 607756137 /nfs/dbraw/zinc/75/61/37/607756137.db2.gz QTTLFMAROUHARP-UHFFFAOYSA-N -1 3 383.359 2.716 20 50 GFGDHM Cc1nc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)s1 ZINC000826323777 607756138 /nfs/dbraw/zinc/75/61/38/607756138.db2.gz QTTLFMAROUHARP-UHFFFAOYSA-N -1 3 383.359 2.716 20 50 GFGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1c(Cl)oc2ccccc12 ZINC000826417174 608054270 /nfs/dbraw/zinc/05/42/70/608054270.db2.gz GVAGSHFMWRPUPT-UHFFFAOYSA-N -1 3 396.794 2.795 20 50 GFGDHM CC(C)(C)NC(=O)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824092859 608803512 /nfs/dbraw/zinc/80/35/12/608803512.db2.gz AWUVTHNPPZPHQU-UHFFFAOYSA-N -1 3 394.439 2.544 20 50 GFGDHM CC(C)(C)NC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824092859 608803514 /nfs/dbraw/zinc/80/35/14/608803514.db2.gz AWUVTHNPPZPHQU-UHFFFAOYSA-N -1 3 394.439 2.544 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCSCC2)cc1 ZINC000826448450 608815752 /nfs/dbraw/zinc/81/57/52/608815752.db2.gz WBYFAARETBKTRF-UHFFFAOYSA-N -1 3 396.480 2.569 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCSCC2)cc1 ZINC000826448450 608815754 /nfs/dbraw/zinc/81/57/54/608815754.db2.gz WBYFAARETBKTRF-UHFFFAOYSA-N -1 3 396.480 2.569 20 50 GFGDHM CC(C)Oc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000824328851 608815888 /nfs/dbraw/zinc/81/58/88/608815888.db2.gz CALOYKNZWWLOEH-UHFFFAOYSA-N -1 3 378.396 2.674 20 50 GFGDHM CC(C)Oc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000824328851 608815890 /nfs/dbraw/zinc/81/58/90/608815890.db2.gz CALOYKNZWWLOEH-UHFFFAOYSA-N -1 3 378.396 2.674 20 50 GFGDHM CC(=NNC(=O)c1cccc2ncccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953561 609159228 /nfs/dbraw/zinc/15/92/28/609159228.db2.gz GUZDIYPLQRWOIR-UHFFFAOYSA-N -1 3 375.367 2.708 20 50 GFGDHM CC(=NNC(=O)c1cccc2ncccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953561 609159229 /nfs/dbraw/zinc/15/92/29/609159229.db2.gz GUZDIYPLQRWOIR-UHFFFAOYSA-N -1 3 375.367 2.708 20 50 GFGDHM CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948559 609275294 /nfs/dbraw/zinc/27/52/94/609275294.db2.gz RYCKJQGPXJBPLQ-UHFFFAOYSA-N -1 3 388.790 2.578 20 50 GFGDHM CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948559 609275295 /nfs/dbraw/zinc/27/52/95/609275295.db2.gz RYCKJQGPXJBPLQ-UHFFFAOYSA-N -1 3 388.790 2.578 20 50 GFGDHM O=C(CSc1nc2ccccc2s1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826421598 607339542 /nfs/dbraw/zinc/33/95/42/607339542.db2.gz PQZCYIUNMOVDHY-UHFFFAOYSA-N -1 3 383.462 2.712 20 50 GFGDHM CCOc1ccccc1OCCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825659197 607340542 /nfs/dbraw/zinc/34/05/42/607340542.db2.gz PWBUHVLHDAFSKY-UHFFFAOYSA-N -1 3 382.424 2.568 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccnc(OCc2ccccc2)c1 ZINC000826449416 607720197 /nfs/dbraw/zinc/72/01/97/607720197.db2.gz RHLADNFSALFQIB-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccnc(OCc2ccccc2)c1 ZINC000826449416 607720199 /nfs/dbraw/zinc/72/01/99/607720199.db2.gz RHLADNFSALFQIB-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826269733 607725691 /nfs/dbraw/zinc/72/56/91/607725691.db2.gz VLCUETJXCOXDDM-UHFFFAOYSA-N -1 3 399.480 2.978 20 50 GFGDHM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826269733 607725693 /nfs/dbraw/zinc/72/56/93/607725693.db2.gz VLCUETJXCOXDDM-UHFFFAOYSA-N -1 3 399.480 2.978 20 50 GFGDHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826331687 607728102 /nfs/dbraw/zinc/72/81/02/607728102.db2.gz UIHRLJAHZUVMBD-UHFFFAOYSA-N -1 3 392.398 2.565 20 50 GFGDHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826331687 607728104 /nfs/dbraw/zinc/72/81/04/607728104.db2.gz UIHRLJAHZUVMBD-UHFFFAOYSA-N -1 3 392.398 2.565 20 50 GFGDHM N#Cc1cccc(NNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000826386991 607729806 /nfs/dbraw/zinc/72/98/06/607729806.db2.gz BFRHJAQOSZYRJR-UHFFFAOYSA-N -1 3 398.386 2.683 20 50 GFGDHM N#Cc1cccc(NNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000826386991 607729808 /nfs/dbraw/zinc/72/98/08/607729808.db2.gz BFRHJAQOSZYRJR-UHFFFAOYSA-N -1 3 398.386 2.683 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2c[nH]nc21 ZINC000823280692 606127564 /nfs/dbraw/zinc/12/75/64/606127564.db2.gz FCSPDMWWSHOLEM-UHFFFAOYSA-N -1 3 388.313 2.519 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000823280592 606129274 /nfs/dbraw/zinc/12/92/74/606129274.db2.gz CLCNKFGDWPMQEW-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000823280592 606129275 /nfs/dbraw/zinc/12/92/75/606129275.db2.gz CLCNKFGDWPMQEW-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM CC(C)(C)OC(=O)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824114163 608163999 /nfs/dbraw/zinc/16/39/99/608163999.db2.gz LTUJRBBNQJNHBX-UHFFFAOYSA-N -1 3 380.408 2.579 20 50 GFGDHM CC(C)(C)OC(=O)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824114163 608164001 /nfs/dbraw/zinc/16/40/01/608164001.db2.gz LTUJRBBNQJNHBX-UHFFFAOYSA-N -1 3 380.408 2.579 20 50 GFGDHM Cc1cn2c(/C=C(/C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)c(C)nc2s1 ZINC000826317105 608214759 /nfs/dbraw/zinc/21/47/59/608214759.db2.gz MZPWNQZGSLFRNC-AUWJEWJLSA-N -1 3 375.417 2.983 20 50 GFGDHM CCc1ccnc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000825728560 608553589 /nfs/dbraw/zinc/55/35/89/608553589.db2.gz PTGVSADHWKTEDR-UHFFFAOYSA-N -1 3 377.330 2.600 20 50 GFGDHM CCc1ccnc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000825728560 608553591 /nfs/dbraw/zinc/55/35/91/608553591.db2.gz PTGVSADHWKTEDR-UHFFFAOYSA-N -1 3 377.330 2.600 20 50 GFGDHM CC(C)C(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824185386 608803438 /nfs/dbraw/zinc/80/34/38/608803438.db2.gz YDCSNFMFAMEUSF-UHFFFAOYSA-N -1 3 380.412 2.610 20 50 GFGDHM CC(C)C(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824185386 608803441 /nfs/dbraw/zinc/80/34/41/608803441.db2.gz YDCSNFMFAMEUSF-UHFFFAOYSA-N -1 3 380.412 2.610 20 50 GFGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000824173420 609262211 /nfs/dbraw/zinc/26/22/11/609262211.db2.gz YJBIBFAUAYJKAL-UHFFFAOYSA-N -1 3 389.419 2.716 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(=O)c1cccs1 ZINC000826447273 607350901 /nfs/dbraw/zinc/35/09/01/607350901.db2.gz XPKXXWVNFHFWHB-UHFFFAOYSA-N -1 3 390.428 2.916 20 50 GFGDHM Cc1noc2nc(C(C)C)cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c12 ZINC000826340139 607351810 /nfs/dbraw/zinc/35/18/10/607351810.db2.gz JHHCYFUVMYXKAN-UHFFFAOYSA-N -1 3 378.396 2.592 20 50 GFGDHM COc1ccc(CNC(=O)NNc2c(C)cc(C)cc2C)cc1-c1nnn[n-]1 ZINC000826200184 607626977 /nfs/dbraw/zinc/62/69/77/607626977.db2.gz BWEAAYADYZSABM-UHFFFAOYSA-N -1 3 381.440 2.627 20 50 GFGDHM COc1ccc(CNC(=O)NNc2c(C)cc(C)cc2C)cc1-c1nn[n-]n1 ZINC000826200184 607626978 /nfs/dbraw/zinc/62/69/78/607626978.db2.gz BWEAAYADYZSABM-UHFFFAOYSA-N -1 3 381.440 2.627 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000826448895 607716605 /nfs/dbraw/zinc/71/66/05/607716605.db2.gz QYILWJBTYVSYKH-UHFFFAOYSA-N -1 3 394.366 2.935 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000826448895 607716606 /nfs/dbraw/zinc/71/66/06/607716606.db2.gz QYILWJBTYVSYKH-UHFFFAOYSA-N -1 3 394.366 2.935 20 50 GFGDHM O=C(CCOc1ccc(F)c(Cl)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407889 607722742 /nfs/dbraw/zinc/72/27/42/607722742.db2.gz GMQFNXPSPKLHLD-UHFFFAOYSA-N -1 3 376.779 2.571 20 50 GFGDHM O=C(CCOc1ccc(F)c(Cl)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407889 607722743 /nfs/dbraw/zinc/72/27/43/607722743.db2.gz GMQFNXPSPKLHLD-UHFFFAOYSA-N -1 3 376.779 2.571 20 50 GFGDHM Cc1ccc(-c2nc(CC(=O)NNc3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000826273599 607730020 /nfs/dbraw/zinc/73/00/20/607730020.db2.gz LVRDODGNHLUOSH-UHFFFAOYSA-N -1 3 381.421 2.577 20 50 GFGDHM Cc1ccc(-c2nc(CC(=O)NNc3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000826273599 607730022 /nfs/dbraw/zinc/73/00/22/607730022.db2.gz LVRDODGNHLUOSH-UHFFFAOYSA-N -1 3 381.421 2.577 20 50 GFGDHM C[C@@H]1CCC(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824901062 607782219 /nfs/dbraw/zinc/78/22/19/607782219.db2.gz XOOWBXJFQMUEAG-CYBMUJFWSA-N -1 3 376.420 2.663 20 50 GFGDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NNc1cc(C(F)(F)F)ccc1F ZINC000826443049 607837064 /nfs/dbraw/zinc/83/70/64/607837064.db2.gz YCXNDSVUTQOKEP-UHFFFAOYSA-N -1 3 395.320 2.851 20 50 GFGDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NNc1cc(C(F)(F)F)ccc1F ZINC000826443049 607837065 /nfs/dbraw/zinc/83/70/65/607837065.db2.gz YCXNDSVUTQOKEP-UHFFFAOYSA-N -1 3 395.320 2.851 20 50 GFGDHM O=C(NN=Cc1cc(F)ccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000826444432 608054746 /nfs/dbraw/zinc/05/47/46/608054746.db2.gz GGPDOZUQEUHTEP-UHFFFAOYSA-N -1 3 389.188 2.532 20 50 GFGDHM O=C(NN=Cc1cc(F)ccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000826444432 608054747 /nfs/dbraw/zinc/05/47/47/608054747.db2.gz GGPDOZUQEUHTEP-UHFFFAOYSA-N -1 3 389.188 2.532 20 50 GFGDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NNc1ccc(C(C)(C)C)cc1 ZINC000826277309 608141160 /nfs/dbraw/zinc/14/11/60/608141160.db2.gz QHYOBKNZOALOPC-UHFFFAOYSA-N -1 3 393.451 2.554 20 50 GFGDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NNc1ccc(C(C)(C)C)cc1 ZINC000826277309 608141161 /nfs/dbraw/zinc/14/11/61/608141161.db2.gz QHYOBKNZOALOPC-UHFFFAOYSA-N -1 3 393.451 2.554 20 50 GFGDHM CC(C)c1ccc(/C=C/CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824348046 608155838 /nfs/dbraw/zinc/15/58/38/608155838.db2.gz XVGAVXLBQCQINH-HWKANZROSA-N -1 3 390.447 2.855 20 50 GFGDHM CC(C)c1ccc(/C=C/CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824348046 608155839 /nfs/dbraw/zinc/15/58/39/608155839.db2.gz XVGAVXLBQCQINH-HWKANZROSA-N -1 3 390.447 2.855 20 50 GFGDHM CC(C)c1ccc(/C=C\CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824348047 608155842 /nfs/dbraw/zinc/15/58/42/608155842.db2.gz XVGAVXLBQCQINH-HYXAFXHYSA-N -1 3 390.447 2.855 20 50 GFGDHM CC(C)c1ccc(/C=C\CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824348047 608155844 /nfs/dbraw/zinc/15/58/44/608155844.db2.gz XVGAVXLBQCQINH-HYXAFXHYSA-N -1 3 390.447 2.855 20 50 GFGDHM CC(C)c1ccc(/C=C\CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347678 608196695 /nfs/dbraw/zinc/19/66/95/608196695.db2.gz KFIUCUZMJSTNNG-ARJAWSKDSA-N -1 3 390.447 2.855 20 50 GFGDHM CC(C)c1ccc(/C=C\CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347678 608196697 /nfs/dbraw/zinc/19/66/97/608196697.db2.gz KFIUCUZMJSTNNG-ARJAWSKDSA-N -1 3 390.447 2.855 20 50 GFGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1cccc2c1OCCO2 ZINC000826379506 608219350 /nfs/dbraw/zinc/21/93/50/608219350.db2.gz UDNXGUJWNZOGRI-WQLSENKSSA-N -1 3 377.335 2.567 20 50 GFGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1cccc2c1OCCO2 ZINC000826379506 608219352 /nfs/dbraw/zinc/21/93/52/608219352.db2.gz UDNXGUJWNZOGRI-WQLSENKSSA-N -1 3 377.335 2.567 20 50 GFGDHM O=C(C=C1CCSCC1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826400119 608277478 /nfs/dbraw/zinc/27/74/78/608277478.db2.gz QAICJTIDBCPLMG-UHFFFAOYSA-N -1 3 384.387 2.782 20 50 GFGDHM O=C(C=C1CCSCC1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826400119 608277479 /nfs/dbraw/zinc/27/74/79/608277479.db2.gz QAICJTIDBCPLMG-UHFFFAOYSA-N -1 3 384.387 2.782 20 50 GFGDHM CC(Cc1ccc(Cl)cc1)=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824457568 608289101 /nfs/dbraw/zinc/28/91/01/608289101.db2.gz PYVZAJZFNAZBJG-UHFFFAOYSA-N -1 3 384.827 2.634 20 50 GFGDHM CC(Cc1ccc(Cl)cc1)=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824457568 608289104 /nfs/dbraw/zinc/28/91/04/608289104.db2.gz PYVZAJZFNAZBJG-UHFFFAOYSA-N -1 3 384.827 2.634 20 50 GFGDHM CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824071674 608807473 /nfs/dbraw/zinc/80/74/73/608807473.db2.gz MEWQTAJOQCTFMV-UHFFFAOYSA-N -1 3 395.423 2.858 20 50 GFGDHM CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824071674 608807474 /nfs/dbraw/zinc/80/74/74/608807474.db2.gz MEWQTAJOQCTFMV-UHFFFAOYSA-N -1 3 395.423 2.858 20 50 GFGDHM COc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c2cccnc12 ZINC000826209981 608809467 /nfs/dbraw/zinc/80/94/67/608809467.db2.gz ZFWGJQIYOOQOFM-UHFFFAOYSA-N -1 3 376.380 2.572 20 50 GFGDHM COc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c2cccnc12 ZINC000826209981 608809468 /nfs/dbraw/zinc/80/94/68/608809468.db2.gz ZFWGJQIYOOQOFM-UHFFFAOYSA-N -1 3 376.380 2.572 20 50 GFGDHM CC(C)(C)OC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824114334 609363068 /nfs/dbraw/zinc/36/30/68/609363068.db2.gz OPZGSXKFKFUMEP-UHFFFAOYSA-N -1 3 396.407 2.829 20 50 GFGDHM CC(C)(C)OC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824114334 609363070 /nfs/dbraw/zinc/36/30/70/609363070.db2.gz OPZGSXKFKFUMEP-UHFFFAOYSA-N -1 3 396.407 2.829 20 50 GFGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)nn1-c1ccc(Cl)cc1 ZINC000826259709 609391262 /nfs/dbraw/zinc/39/12/62/609391262.db2.gz BBBBHMMNHUSOMX-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM CC(C)(C)n1ncc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C(F)(F)F ZINC000824152816 607334836 /nfs/dbraw/zinc/33/48/36/607334836.db2.gz OPQYHYZALSZDAV-UHFFFAOYSA-N -1 3 394.361 2.594 20 50 GFGDHM CC(C)(C)n1ncc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C(F)(F)F ZINC000824152816 607334839 /nfs/dbraw/zinc/33/48/39/607334839.db2.gz OPQYHYZALSZDAV-UHFFFAOYSA-N -1 3 394.361 2.594 20 50 GFGDHM CSc1ncc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)n1-c1ccccc1 ZINC000826231520 607340290 /nfs/dbraw/zinc/34/02/90/607340290.db2.gz OPFYXXSNLCHXJT-UHFFFAOYSA-N -1 3 392.448 2.531 20 50 GFGDHM Cc1oc(-c2ccccc2)nc1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826340345 607344720 /nfs/dbraw/zinc/34/47/20/607344720.db2.gz UHURLXXRXHFEAJ-UHFFFAOYSA-N -1 3 375.392 2.516 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCC(F)(F)F)c1 ZINC000826446858 607352235 /nfs/dbraw/zinc/35/22/35/607352235.db2.gz BLFNGHCLZNQYGB-UHFFFAOYSA-N -1 3 378.314 2.565 20 50 GFGDHM O=C(CCc1ncc(-c2ccccc2F)o1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409021 607353014 /nfs/dbraw/zinc/35/30/14/607353014.db2.gz FJVBWIJPPIZLMW-UHFFFAOYSA-N -1 3 393.382 2.737 20 50 GFGDHM CCCc1ccc(C(=O)CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825348715 607355125 /nfs/dbraw/zinc/35/51/25/607355125.db2.gz XKKKTQAVIODXEP-UHFFFAOYSA-N -1 3 378.436 2.925 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1Br ZINC000826447176 607354703 /nfs/dbraw/zinc/35/47/03/607354703.db2.gz RJXBYHITUXIBPI-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1ccc(Br)cc1F)c1sccc1-c1nnn[n-]1 ZINC000826447493 607358009 /nfs/dbraw/zinc/35/80/09/607358009.db2.gz HXOMZZSLTJGHMP-UHFFFAOYSA-N -1 3 383.206 2.587 20 50 GFGDHM O=C(NNc1ccc(Br)cc1F)c1sccc1-c1nn[n-]n1 ZINC000826447493 607358011 /nfs/dbraw/zinc/35/80/11/607358011.db2.gz HXOMZZSLTJGHMP-UHFFFAOYSA-N -1 3 383.206 2.587 20 50 GFGDHM Cc1cc(Br)ccc1NNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826256566 607396402 /nfs/dbraw/zinc/39/64/02/607396402.db2.gz PQWXJXSGZRJVAM-UHFFFAOYSA-N -1 3 379.243 2.756 20 50 GFGDHM Cc1cc(Br)ccc1NNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826256566 607396403 /nfs/dbraw/zinc/39/64/03/607396403.db2.gz PQWXJXSGZRJVAM-UHFFFAOYSA-N -1 3 379.243 2.756 20 50 GFGDHM CC(=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000823948426 607650901 /nfs/dbraw/zinc/65/09/01/607650901.db2.gz LYBFOTCOTHYWCZ-UHFFFAOYSA-N -1 3 376.376 2.532 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1nnc(-c2ccccc2)s1 ZINC000826446337 607672579 /nfs/dbraw/zinc/67/25/79/607672579.db2.gz IBKYMKWNNGRSJJ-UHFFFAOYSA-N -1 3 379.409 2.534 20 50 GFGDHM O=C(C=Cc1ccccc1OC(F)(F)F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826403273 607717755 /nfs/dbraw/zinc/71/77/55/607717755.db2.gz NXNPAEAUOHVDHY-CMDGGOBGSA-N -1 3 390.325 2.922 20 50 GFGDHM O=C(C=Cc1ccccc1OC(F)(F)F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826403273 607717757 /nfs/dbraw/zinc/71/77/57/607717757.db2.gz NXNPAEAUOHVDHY-CMDGGOBGSA-N -1 3 390.325 2.922 20 50 GFGDHM O=C(CCOc1ccc(F)cc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408057 607723168 /nfs/dbraw/zinc/72/31/68/607723168.db2.gz NXACHMMMZOTLQQ-UHFFFAOYSA-N -1 3 376.779 2.571 20 50 GFGDHM O=C(CCOc1ccc(F)cc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408057 607723169 /nfs/dbraw/zinc/72/31/69/607723169.db2.gz NXACHMMMZOTLQQ-UHFFFAOYSA-N -1 3 376.779 2.571 20 50 GFGDHM CCCCOc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000825291592 607724095 /nfs/dbraw/zinc/72/40/95/607724095.db2.gz UQBFWXONIKGLMW-UHFFFAOYSA-N -1 3 382.424 2.811 20 50 GFGDHM CCCCOc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000825291592 607724097 /nfs/dbraw/zinc/72/40/97/607724097.db2.gz UQBFWXONIKGLMW-UHFFFAOYSA-N -1 3 382.424 2.811 20 50 GFGDHM O=C(COc1ccc(Cl)c2cccnc12)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826418237 607731809 /nfs/dbraw/zinc/73/18/09/607731809.db2.gz WSJLBXWSLUUUOR-UHFFFAOYSA-N -1 3 395.810 2.590 20 50 GFGDHM O=C(COc1ccc(Cl)c2cccnc12)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826418237 607731810 /nfs/dbraw/zinc/73/18/10/607731810.db2.gz WSJLBXWSLUUUOR-UHFFFAOYSA-N -1 3 395.810 2.590 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1Br ZINC000826449058 607732463 /nfs/dbraw/zinc/73/24/63/607732463.db2.gz ZMAZAULLVYNPTR-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1Br ZINC000826449058 607732465 /nfs/dbraw/zinc/73/24/65/607732465.db2.gz ZMAZAULLVYNPTR-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1ccc(Br)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823281828 606694522 /nfs/dbraw/zinc/69/45/22/606694522.db2.gz ZHFNXUKWDOVNBT-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM O=C(NNc1ccc(Br)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823281828 606694523 /nfs/dbraw/zinc/69/45/23/606694523.db2.gz ZHFNXUKWDOVNBT-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C#N)n1C ZINC000826235564 608185842 /nfs/dbraw/zinc/18/58/42/608185842.db2.gz MDCXRZIXVXYJAD-TVYFDWKESA-N -1 3 387.403 2.597 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(C#N)n1C ZINC000826235564 608185844 /nfs/dbraw/zinc/18/58/44/608185844.db2.gz MDCXRZIXVXYJAD-TVYFDWKESA-N -1 3 387.403 2.597 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2cccc(C#N)c2)cc(-c2nnn[n-]2)n1C ZINC000826235872 608186303 /nfs/dbraw/zinc/18/63/03/608186303.db2.gz TTXIMVZVJMUUPG-TVYFDWKESA-N -1 3 387.403 2.597 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2cccc(C#N)c2)cc(-c2nn[n-]n2)n1C ZINC000826235872 608186304 /nfs/dbraw/zinc/18/63/04/608186304.db2.gz TTXIMVZVJMUUPG-TVYFDWKESA-N -1 3 387.403 2.597 20 50 GFGDHM COCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826162464 608214958 /nfs/dbraw/zinc/21/49/58/608214958.db2.gz CTXYTOKDBPTNNW-GZTJUZNOSA-N -1 3 375.388 2.682 20 50 GFGDHM COCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826162464 608214960 /nfs/dbraw/zinc/21/49/60/608214960.db2.gz CTXYTOKDBPTNNW-GZTJUZNOSA-N -1 3 375.388 2.682 20 50 GFGDHM N#CC(=Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378880 608215361 /nfs/dbraw/zinc/21/53/61/608215361.db2.gz CNXGSZYRIUWPIR-OCKHKDLRSA-N -1 3 381.399 2.901 20 50 GFGDHM N#CC(=Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378880 608215363 /nfs/dbraw/zinc/21/53/63/608215363.db2.gz CNXGSZYRIUWPIR-OCKHKDLRSA-N -1 3 381.399 2.901 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2cccc(F)c2F)cc(-c2nnn[n-]2)n1C ZINC000826235712 608385724 /nfs/dbraw/zinc/38/57/24/608385724.db2.gz PKCBFGJMSUYMGO-SRMXYGTFSA-N -1 3 397.389 2.576 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2cccc(F)c2F)cc(-c2nn[n-]n2)n1C ZINC000826235712 608385727 /nfs/dbraw/zinc/38/57/27/608385727.db2.gz PKCBFGJMSUYMGO-SRMXYGTFSA-N -1 3 397.389 2.576 20 50 GFGDHM Cc1ccc(-c2ncco2)cc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826273520 608817672 /nfs/dbraw/zinc/81/76/72/608817672.db2.gz IEAAHTPFNSGATC-UHFFFAOYSA-N -1 3 376.380 2.979 20 50 GFGDHM Cc1ccc(-c2ncco2)cc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826273520 608817674 /nfs/dbraw/zinc/81/76/74/608817674.db2.gz IEAAHTPFNSGATC-UHFFFAOYSA-N -1 3 376.380 2.979 20 50 GFGDHM CC1(C)C(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1OCc1ccccc1 ZINC000824784264 609159453 /nfs/dbraw/zinc/15/94/53/609159453.db2.gz QCUSWODZPZSGKB-SFHVURJKSA-N -1 3 390.447 2.968 20 50 GFGDHM CC1(C)C(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1OCc1ccccc1 ZINC000824784264 609159454 /nfs/dbraw/zinc/15/94/54/609159454.db2.gz QCUSWODZPZSGKB-SFHVURJKSA-N -1 3 390.447 2.968 20 50 GFGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826273087 609263052 /nfs/dbraw/zinc/26/30/52/609263052.db2.gz OURJIFFPPHDVBS-UHFFFAOYSA-N -1 3 391.460 2.959 20 50 GFGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826273087 609263053 /nfs/dbraw/zinc/26/30/53/609263053.db2.gz OURJIFFPPHDVBS-UHFFFAOYSA-N -1 3 391.460 2.959 20 50 GFGDHM O=C(NNc1ccccn1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449522 609263280 /nfs/dbraw/zinc/26/32/80/609263280.db2.gz XADNDSVIOHRPKD-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1ccccn1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826449466 609263466 /nfs/dbraw/zinc/26/34/66/609263466.db2.gz UQWHZCRFTFKZMH-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1ccccn1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826449466 609263469 /nfs/dbraw/zinc/26/34/69/609263469.db2.gz UQWHZCRFTFKZMH-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948173 609273093 /nfs/dbraw/zinc/27/30/93/609273093.db2.gz FLBUYBGEQUPKHW-UHFFFAOYSA-N -1 3 390.382 2.550 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948173 609273094 /nfs/dbraw/zinc/27/30/94/609273094.db2.gz FLBUYBGEQUPKHW-UHFFFAOYSA-N -1 3 390.382 2.550 20 50 GFGDHM CC(=NNC(=O)CSc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948796 609275501 /nfs/dbraw/zinc/27/55/01/609275501.db2.gz YMFHWVGVYGQTFF-UHFFFAOYSA-N -1 3 384.440 2.947 20 50 GFGDHM CC(=NNC(=O)CSc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948796 609275503 /nfs/dbraw/zinc/27/55/03/609275503.db2.gz YMFHWVGVYGQTFF-UHFFFAOYSA-N -1 3 384.440 2.947 20 50 GFGDHM O=C(NNc1cc(Cl)ccn1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826445843 609399511 /nfs/dbraw/zinc/39/95/11/609399511.db2.gz NDVSVDXDEHIMDL-UHFFFAOYSA-N -1 3 384.614 2.979 20 50 GFGDHM O=C(NNc1cc(Cl)ccn1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826445843 609399514 /nfs/dbraw/zinc/39/95/14/609399514.db2.gz NDVSVDXDEHIMDL-UHFFFAOYSA-N -1 3 384.614 2.979 20 50 GFGDHM O=C(CCc1cc(Br)cs1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407826 607334140 /nfs/dbraw/zinc/33/41/40/607334140.db2.gz CNZQDGXGXZWGDY-UHFFFAOYSA-N -1 3 393.270 2.767 20 50 GFGDHM O=C(CCc1cc(Br)cs1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407826 607334142 /nfs/dbraw/zinc/33/41/42/607334142.db2.gz CNZQDGXGXZWGDY-UHFFFAOYSA-N -1 3 393.270 2.767 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccnc(OCc2ccccc2)c1 ZINC000826447327 607345234 /nfs/dbraw/zinc/34/52/34/607345234.db2.gz AAGUEVJTSAOUCJ-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM Cc1ccc(-c2nc(C)c(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000826273633 607345770 /nfs/dbraw/zinc/34/57/70/607345770.db2.gz NKPMVJWYHCZPSF-UHFFFAOYSA-N -1 3 381.421 2.957 20 50 GFGDHM O=C(COc1c(Cl)cccc1Cl)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826416732 607352905 /nfs/dbraw/zinc/35/29/05/607352905.db2.gz MIEXPLYYGNNEIA-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1NCc1cccnc1 ZINC000826447057 607463551 /nfs/dbraw/zinc/46/35/51/607463551.db2.gz LFODXITXBPNUNZ-UHFFFAOYSA-N -1 3 386.419 2.631 20 50 GFGDHM COc1cc(Cl)c(Cl)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826179877 607715348 /nfs/dbraw/zinc/71/53/48/607715348.db2.gz JFMYTNBMIYETIS-UHFFFAOYSA-N -1 3 379.207 2.939 20 50 GFGDHM COc1cc(Cl)c(Cl)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826179877 607715350 /nfs/dbraw/zinc/71/53/50/607715350.db2.gz JFMYTNBMIYETIS-UHFFFAOYSA-N -1 3 379.207 2.939 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1COc2ccccc21 ZINC000823280569 606126257 /nfs/dbraw/zinc/12/62/57/606126257.db2.gz BNGRLOJSOPGIBE-GFCCVEGCSA-N -1 3 390.325 2.505 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1COc2ccccc21 ZINC000823280569 606126259 /nfs/dbraw/zinc/12/62/59/606126259.db2.gz BNGRLOJSOPGIBE-GFCCVEGCSA-N -1 3 390.325 2.505 20 50 GFGDHM N#CC=C(c1ccc(F)cc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826380461 608066728 /nfs/dbraw/zinc/06/67/28/608066728.db2.gz BHMQZHZVVSQQGN-JSAJWXMXSA-N -1 3 376.395 2.944 20 50 GFGDHM N#CC=C(c1ccc(F)cc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826380461 608066729 /nfs/dbraw/zinc/06/67/29/608066729.db2.gz BHMQZHZVVSQQGN-JSAJWXMXSA-N -1 3 376.395 2.944 20 50 GFGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1-n1cncn1 ZINC000826266381 608213805 /nfs/dbraw/zinc/21/38/05/608213805.db2.gz NBHGAUPOECUKOR-CAOOACKPSA-N -1 3 382.387 2.546 20 50 GFGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1-n1cncn1 ZINC000826266381 608213806 /nfs/dbraw/zinc/21/38/06/608213806.db2.gz NBHGAUPOECUKOR-CAOOACKPSA-N -1 3 382.387 2.546 20 50 GFGDHM CCC[C@@H](C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825232129 608750641 /nfs/dbraw/zinc/75/06/41/608750641.db2.gz CILMNGKVTOVCAX-KRWDZBQOSA-N -1 3 378.436 2.931 20 50 GFGDHM CCOC(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825539899 608806904 /nfs/dbraw/zinc/80/69/04/608806904.db2.gz RFAWRDSJRQMGOZ-UHFFFAOYSA-N -1 3 382.384 2.584 20 50 GFGDHM CCOC(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825539899 608806905 /nfs/dbraw/zinc/80/69/05/608806905.db2.gz RFAWRDSJRQMGOZ-UHFFFAOYSA-N -1 3 382.384 2.584 20 50 GFGDHM CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824072775 608808048 /nfs/dbraw/zinc/80/80/48/608808048.db2.gz ZVWVRXSBESPCCU-UHFFFAOYSA-N -1 3 395.423 2.858 20 50 GFGDHM CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824072775 608808052 /nfs/dbraw/zinc/80/80/52/608808052.db2.gz ZVWVRXSBESPCCU-UHFFFAOYSA-N -1 3 395.423 2.858 20 50 GFGDHM CC(C)(C)C(=O)NNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824072227 608810768 /nfs/dbraw/zinc/81/07/68/608810768.db2.gz ULFSUGNZCZSKSH-UHFFFAOYSA-N -1 3 395.423 2.858 20 50 GFGDHM CC(C)(C)C(=O)NNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824072227 608810771 /nfs/dbraw/zinc/81/07/71/608810771.db2.gz ULFSUGNZCZSKSH-UHFFFAOYSA-N -1 3 395.423 2.858 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1OCC(F)F ZINC000826448240 608817595 /nfs/dbraw/zinc/81/75/95/608817595.db2.gz NNPFZEVDEHUAED-UHFFFAOYSA-N -1 3 375.339 2.659 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1OCC(F)F ZINC000826448240 608817598 /nfs/dbraw/zinc/81/75/98/608817598.db2.gz NNPFZEVDEHUAED-UHFFFAOYSA-N -1 3 375.339 2.659 20 50 GFGDHM CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948735 609275207 /nfs/dbraw/zinc/27/52/07/609275207.db2.gz VOIPRNLKETXMKQ-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948735 609275209 /nfs/dbraw/zinc/27/52/09/609275209.db2.gz VOIPRNLKETXMKQ-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM COc1ccc2[nH]c(=NNC(=O)c3sccc3-c3nnn[n-]3)c(C)cc2c1 ZINC000826213945 609401228 /nfs/dbraw/zinc/40/12/28/609401228.db2.gz SVQYRQGGYGSPAZ-UHFFFAOYSA-N -1 3 381.421 2.550 20 50 GFGDHM COc1ccc2[nH]c(=NNC(=O)c3sccc3-c3nn[n-]n3)c(C)cc2c1 ZINC000826213945 609401229 /nfs/dbraw/zinc/40/12/29/609401229.db2.gz SVQYRQGGYGSPAZ-UHFFFAOYSA-N -1 3 381.421 2.550 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCc2cccc(F)c2)cc(-c2nnn[n-]2)n1C ZINC000826235847 609462587 /nfs/dbraw/zinc/46/25/87/609462587.db2.gz SMGXNEPBORRWFN-MHWRWJLKSA-N -1 3 394.410 2.736 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCc2cccc(F)c2)cc(-c2nn[n-]n2)n1C ZINC000826235847 609462589 /nfs/dbraw/zinc/46/25/89/609462589.db2.gz SMGXNEPBORRWFN-MHWRWJLKSA-N -1 3 394.410 2.736 20 50 GFGDHM O=C(NCCc1ccc(F)cc1)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826439452 609497963 /nfs/dbraw/zinc/49/79/63/609497963.db2.gz VWFKXXOLEPCTJG-UHFFFAOYSA-N -1 3 375.795 2.528 20 50 GFGDHM O=C(NCCc1ccc(F)cc1)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826439452 609497965 /nfs/dbraw/zinc/49/79/65/609497965.db2.gz VWFKXXOLEPCTJG-UHFFFAOYSA-N -1 3 375.795 2.528 20 50 GFGDHM O=C(NNc1cccc(F)c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826449411 607339850 /nfs/dbraw/zinc/33/98/50/607339850.db2.gz QUQVSHGFGRVIFL-UHFFFAOYSA-N -1 3 391.366 2.950 20 50 GFGDHM O=C(NNc1cccc(F)c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826449411 607339852 /nfs/dbraw/zinc/33/98/52/607339852.db2.gz QUQVSHGFGRVIFL-UHFFFAOYSA-N -1 3 391.366 2.950 20 50 GFGDHM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826447484 607397327 /nfs/dbraw/zinc/39/73/27/607397327.db2.gz HIWMOJGZSOKTDP-UHFFFAOYSA-N -1 3 378.314 2.565 20 50 GFGDHM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826447484 607397328 /nfs/dbraw/zinc/39/73/28/607397328.db2.gz HIWMOJGZSOKTDP-UHFFFAOYSA-N -1 3 378.314 2.565 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826190448 607408933 /nfs/dbraw/zinc/40/89/33/607408933.db2.gz BPOVUJFDRQRFDD-YVLHZVERSA-N -1 3 375.388 2.834 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826190448 607408935 /nfs/dbraw/zinc/40/89/35/607408935.db2.gz BPOVUJFDRQRFDD-YVLHZVERSA-N -1 3 375.388 2.834 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000826190531 607595227 /nfs/dbraw/zinc/59/52/27/607595227.db2.gz FAHUDSJWTBJDEV-OQLLNIDSSA-N -1 3 391.387 2.534 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000826190531 607595228 /nfs/dbraw/zinc/59/52/28/607595228.db2.gz FAHUDSJWTBJDEV-OQLLNIDSSA-N -1 3 391.387 2.534 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCSCC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235041 607703065 /nfs/dbraw/zinc/70/30/65/607703065.db2.gz AHWDLQUKXYQCPQ-OVCLIPMQSA-N -1 3 388.497 2.743 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCSCC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235041 607703066 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O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000826446786 607340851 /nfs/dbraw/zinc/34/08/51/607340851.db2.gz YICRHLOFDCQCJV-GOSISDBHSA-N -1 3 395.442 2.504 20 50 GFGDHM O=C(CCOc1ccc(F)cc1Cl)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826407884 607347088 /nfs/dbraw/zinc/34/70/88/607347088.db2.gz GGPPDOOHWLREON-UHFFFAOYSA-N -1 3 376.779 2.571 20 50 GFGDHM CCc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(F)cc1 ZINC000825688193 607353668 /nfs/dbraw/zinc/35/36/68/607353668.db2.gz SDMVEBNEXLJRPL-UHFFFAOYSA-N -1 3 392.398 2.511 20 50 GFGDHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824113672 607354485 /nfs/dbraw/zinc/35/44/85/607354485.db2.gz ACPYYBFISBUESB-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM O=C(NNc1ccc(Br)cc1F)c1cc(-c2nnn[n-]2)cs1 ZINC000826447443 607358348 /nfs/dbraw/zinc/35/83/48/607358348.db2.gz GCWFOKYMYCCVCH-UHFFFAOYSA-N -1 3 383.206 2.587 20 50 GFGDHM O=C(NNc1ccc(Br)cc1F)c1cc(-c2nn[n-]n2)cs1 ZINC000826447443 607358349 /nfs/dbraw/zinc/35/83/49/607358349.db2.gz GCWFOKYMYCCVCH-UHFFFAOYSA-N -1 3 383.206 2.587 20 50 GFGDHM Cc1c(Cl)cccc1NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826236781 607393094 /nfs/dbraw/zinc/39/30/94/607393094.db2.gz CAHOGBZTCCUJHT-KRWDZBQOSA-N -1 3 397.870 2.941 20 50 GFGDHM O=C(NNc1ccc(OC(F)F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826447876 607397331 /nfs/dbraw/zinc/39/73/31/607397331.db2.gz ZUHMEFGOFQXEEE-UHFFFAOYSA-N -1 3 382.277 2.503 20 50 GFGDHM O=C(NNc1ccc(OC(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826447876 607397333 /nfs/dbraw/zinc/39/73/33/607397333.db2.gz ZUHMEFGOFQXEEE-UHFFFAOYSA-N -1 3 382.277 2.503 20 50 GFGDHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824753942 607713347 /nfs/dbraw/zinc/71/33/47/607713347.db2.gz GQFZFCJWWOECNW-JTQLQIEISA-N -1 3 392.341 2.796 20 50 GFGDHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824753942 607713349 /nfs/dbraw/zinc/71/33/49/607713349.db2.gz GQFZFCJWWOECNW-JTQLQIEISA-N -1 3 392.341 2.796 20 50 GFGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1cccc(Cl)c1 ZINC000826234935 607713851 /nfs/dbraw/zinc/71/38/51/607713851.db2.gz VJDRNTRWTYXZFE-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1cccc(Cl)c1 ZINC000826234935 607713852 /nfs/dbraw/zinc/71/38/52/607713852.db2.gz VJDRNTRWTYXZFE-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(c2ccccc2Cl)CCOCC1 ZINC000826447353 607719515 /nfs/dbraw/zinc/71/95/15/607719515.db2.gz BJINZXKNILZSDW-UHFFFAOYSA-N -1 3 398.854 2.712 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2ccccc2Cl)CCOCC1 ZINC000826447353 607719517 /nfs/dbraw/zinc/71/95/17/607719517.db2.gz BJINZXKNILZSDW-UHFFFAOYSA-N -1 3 398.854 2.712 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c(F)cc(Br)cc1F ZINC000826448068 607725470 /nfs/dbraw/zinc/72/54/70/607725470.db2.gz GQKWDBLTGGMHGU-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c(F)cc(Br)cc1F ZINC000826448068 607725472 /nfs/dbraw/zinc/72/54/72/607725472.db2.gz GQKWDBLTGGMHGU-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000823281469 606128043 /nfs/dbraw/zinc/12/80/43/606128043.db2.gz SRAGIHIAFITPJC-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000823281469 606128044 /nfs/dbraw/zinc/12/80/44/606128044.db2.gz SRAGIHIAFITPJC-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000823281723 606130534 /nfs/dbraw/zinc/13/05/34/606130534.db2.gz WUKOQLHMGWQSQM-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000823281723 606130535 /nfs/dbraw/zinc/13/05/35/606130535.db2.gz WUKOQLHMGWQSQM-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826418018 607882196 /nfs/dbraw/zinc/88/21/96/607882196.db2.gz OGAXTMFFFJJPNU-UHFFFAOYSA-N -1 3 391.218 2.703 20 50 GFGDHM O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826418018 607882197 /nfs/dbraw/zinc/88/21/97/607882197.db2.gz OGAXTMFFFJJPNU-UHFFFAOYSA-N -1 3 391.218 2.703 20 50 GFGDHM O=C(NN=Cc1cccn1Cc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444622 607889019 /nfs/dbraw/zinc/88/90/19/607889019.db2.gz NRZLSQTYSPNPDD-UHFFFAOYSA-N -1 3 377.433 2.542 20 50 GFGDHM O=C(NN=Cc1cccn1Cc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444622 607889020 /nfs/dbraw/zinc/88/90/20/607889020.db2.gz NRZLSQTYSPNPDD-UHFFFAOYSA-N -1 3 377.433 2.542 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)c2cccc(C#N)c2)cc(-c2nnn[n-]2)n1C ZINC000826235870 608186320 /nfs/dbraw/zinc/18/63/20/608186320.db2.gz TTXIMVZVJMUUPG-QOSBVPTNSA-N -1 3 387.403 2.597 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)c2cccc(C#N)c2)cc(-c2nn[n-]n2)n1C ZINC000826235870 608186322 /nfs/dbraw/zinc/18/63/22/608186322.db2.gz TTXIMVZVJMUUPG-QOSBVPTNSA-N -1 3 387.403 2.597 20 50 GFGDHM O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404396 608277295 /nfs/dbraw/zinc/27/72/95/608277295.db2.gz YXDXEZVVMBRNEF-AWEZNQCLSA-N -1 3 393.234 2.740 20 50 GFGDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826466234 608810882 /nfs/dbraw/zinc/81/08/82/608810882.db2.gz UMFALNXRWVAWBV-OWRWGESLSA-N -1 3 377.242 2.864 20 50 GFGDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826466234 608810884 /nfs/dbraw/zinc/81/08/84/608810884.db2.gz UMFALNXRWVAWBV-OWRWGESLSA-N -1 3 377.242 2.864 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)ccc1OC(F)F ZINC000826447900 608817823 /nfs/dbraw/zinc/81/78/23/608817823.db2.gz ALETWHGZZCIBDA-UHFFFAOYSA-N -1 3 379.302 2.756 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)ccc1OC(F)F ZINC000826447900 608817825 /nfs/dbraw/zinc/81/78/25/608817825.db2.gz ALETWHGZZCIBDA-UHFFFAOYSA-N -1 3 379.302 2.756 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000826446493 607342006 /nfs/dbraw/zinc/34/20/06/607342006.db2.gz NTGZPXFODFLNAF-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM O=C(CSc1ccc(C(F)(F)F)cn1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826420991 607342150 /nfs/dbraw/zinc/34/21/50/607342150.db2.gz MNZJYEYRMAQVQE-UHFFFAOYSA-N -1 3 395.370 2.516 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000826447219 607342738 /nfs/dbraw/zinc/34/27/38/607342738.db2.gz UROUURKHVNAODV-UHFFFAOYSA-N -1 3 388.391 2.551 20 50 GFGDHM Cc1ccc(-c2nc(CC(=O)NNc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000826273902 607344150 /nfs/dbraw/zinc/34/41/50/607344150.db2.gz ZJTXYMMYAPZONO-UHFFFAOYSA-N -1 3 391.460 2.984 20 50 GFGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000826249472 607394801 /nfs/dbraw/zinc/39/48/01/607394801.db2.gz FCSSEHYMODFVLP-UHFFFAOYSA-N -1 3 387.325 2.823 20 50 GFGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000826249472 607394803 /nfs/dbraw/zinc/39/48/03/607394803.db2.gz FCSSEHYMODFVLP-UHFFFAOYSA-N -1 3 387.325 2.823 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1Br ZINC000826448607 607561888 /nfs/dbraw/zinc/56/18/88/607561888.db2.gz CPRXLKRJRJMIAS-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1Br ZINC000826448607 607561890 /nfs/dbraw/zinc/56/18/90/607561890.db2.gz CPRXLKRJRJMIAS-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000826449427 607714963 /nfs/dbraw/zinc/71/49/63/607714963.db2.gz RSHOWJMHYQWVEW-UHFFFAOYSA-N -1 3 386.419 2.687 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000826449427 607714965 /nfs/dbraw/zinc/71/49/65/607714965.db2.gz RSHOWJMHYQWVEW-UHFFFAOYSA-N -1 3 386.419 2.687 20 50 GFGDHM O=C(Cc1csc(Cc2ccccc2)n1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424009 607726498 /nfs/dbraw/zinc/72/64/98/607726498.db2.gz RIXMBWMKLNCHRX-UHFFFAOYSA-N -1 3 391.460 2.600 20 50 GFGDHM O=C(Cc1csc(Cc2ccccc2)n1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424009 607726500 /nfs/dbraw/zinc/72/65/00/607726500.db2.gz RIXMBWMKLNCHRX-UHFFFAOYSA-N -1 3 391.460 2.600 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1OCc1cscn1 ZINC000826448652 607726939 /nfs/dbraw/zinc/72/69/39/607726939.db2.gz FEXYVWJODRKZET-UHFFFAOYSA-N -1 3 393.432 2.659 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1OCc1cscn1 ZINC000826448652 607726942 /nfs/dbraw/zinc/72/69/42/607726942.db2.gz FEXYVWJODRKZET-UHFFFAOYSA-N -1 3 393.432 2.659 20 50 GFGDHM CC(C)N1CCN(c2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)cc2)CC1 ZINC000833499367 605732587 /nfs/dbraw/zinc/73/25/87/605732587.db2.gz NYLLKGBTOHOARN-UHFFFAOYSA-N -1 3 382.464 2.672 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1c[nH]c2ncccc12 ZINC000823280817 606127628 /nfs/dbraw/zinc/12/76/28/606127628.db2.gz GPYMMTUHHZQJPA-UHFFFAOYSA-N -1 3 388.313 2.519 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c[nH]c2ncccc12 ZINC000823280817 606127630 /nfs/dbraw/zinc/12/76/30/606127630.db2.gz GPYMMTUHHZQJPA-UHFFFAOYSA-N -1 3 388.313 2.519 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])s1 ZINC000823281345 606130471 /nfs/dbraw/zinc/13/04/71/606130471.db2.gz QWBWBDVOFKEFGH-UHFFFAOYSA-N -1 3 399.314 2.612 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])s1 ZINC000823281345 606130473 /nfs/dbraw/zinc/13/04/73/606130473.db2.gz QWBWBDVOFKEFGH-UHFFFAOYSA-N -1 3 399.314 2.612 20 50 GFGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000823948552 607843454 /nfs/dbraw/zinc/84/34/54/607843454.db2.gz RREKQDSUXIKDIN-UHFFFAOYSA-N -1 3 390.234 2.910 20 50 GFGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000823948552 607843455 /nfs/dbraw/zinc/84/34/55/607843455.db2.gz RREKQDSUXIKDIN-UHFFFAOYSA-N -1 3 390.234 2.910 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000826446537 607977040 /nfs/dbraw/zinc/97/70/40/607977040.db2.gz PIPUADQCMWXSNM-UHFFFAOYSA-N -1 3 379.302 2.914 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c2c(sc1-n1cccc1)CCC2 ZINC000826448285 607995906 /nfs/dbraw/zinc/99/59/06/607995906.db2.gz PHGNHVWRXSNOAD-UHFFFAOYSA-N -1 3 391.460 2.965 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c2c(sc1-n1cccc1)CCC2 ZINC000826448285 607995907 /nfs/dbraw/zinc/99/59/07/607995907.db2.gz PHGNHVWRXSNOAD-UHFFFAOYSA-N -1 3 391.460 2.965 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1scnc1C1CC1 ZINC000826446603 608030540 /nfs/dbraw/zinc/03/05/40/608030540.db2.gz RNOCBTJLAYOXOQ-UHFFFAOYSA-N -1 3 395.370 2.976 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1scnc1C1CC1 ZINC000826446603 608030541 /nfs/dbraw/zinc/03/05/41/608030541.db2.gz RNOCBTJLAYOXOQ-UHFFFAOYSA-N -1 3 395.370 2.976 20 50 GFGDHM C[C@@H](C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824385035 608110038 /nfs/dbraw/zinc/11/00/38/608110038.db2.gz KHFGCXFWZAFSPO-LBPRGKRZSA-N -1 3 384.827 2.805 20 50 GFGDHM COCCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826163067 608213067 /nfs/dbraw/zinc/21/30/67/608213067.db2.gz FHRFEIGHIYEJCX-BOPFTXTBSA-N -1 3 375.388 2.682 20 50 GFGDHM COCCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826163067 608213069 /nfs/dbraw/zinc/21/30/69/608213069.db2.gz FHRFEIGHIYEJCX-BOPFTXTBSA-N -1 3 375.388 2.682 20 50 GFGDHM Cc1nc(-c2ccco2)ccc1C(=O)NN=c1cc(-c2nn[n-]n2)cc(Cl)[nH]1 ZINC000826323121 608579999 /nfs/dbraw/zinc/57/99/99/608579999.db2.gz QZSHCEYLTMGPKJ-UHFFFAOYSA-N -1 3 396.798 2.635 20 50 GFGDHM N#CC1=CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000826381011 609166601 /nfs/dbraw/zinc/16/66/01/609166601.db2.gz UVYIEPUCEWWRSY-UHFFFAOYSA-N -1 3 386.415 2.742 20 50 GFGDHM N#CC1=CCN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000826380967 609478139 /nfs/dbraw/zinc/47/81/39/609478139.db2.gz SHAKQQJDCOKKEW-UHFFFAOYSA-N -1 3 397.508 2.681 20 50 GFGDHM COc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1OC1CCCC1 ZINC000826177643 607335548 /nfs/dbraw/zinc/33/55/48/607335548.db2.gz PNGUFOLPVGIWBJ-UHFFFAOYSA-N -1 3 394.435 2.954 20 50 GFGDHM COc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1OC1CCCC1 ZINC000826177643 607335550 /nfs/dbraw/zinc/33/55/50/607335550.db2.gz PNGUFOLPVGIWBJ-UHFFFAOYSA-N -1 3 394.435 2.954 20 50 GFGDHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824752995 607340095 /nfs/dbraw/zinc/34/00/95/607340095.db2.gz AZEXWTSBCKQQGA-JTQLQIEISA-N -1 3 392.341 2.796 20 50 GFGDHM CC(C)c1nn(C)c2sc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000824364654 607341460 /nfs/dbraw/zinc/34/14/60/607341460.db2.gz OXKRUBICMLNKDE-UHFFFAOYSA-N -1 3 382.453 2.695 20 50 GFGDHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826331322 607351639 /nfs/dbraw/zinc/35/16/39/607351639.db2.gz CYEKDIJVIRSRAG-UHFFFAOYSA-N -1 3 392.398 2.565 20 50 GFGDHM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826447391 607397035 /nfs/dbraw/zinc/39/70/35/607397035.db2.gz CWNMPSAVXZCKBR-UHFFFAOYSA-N -1 3 384.343 2.626 20 50 GFGDHM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826447391 607397037 /nfs/dbraw/zinc/39/70/37/607397037.db2.gz CWNMPSAVXZCKBR-UHFFFAOYSA-N -1 3 384.343 2.626 20 50 GFGDHM Cc1ccc(F)c(NNC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826289625 607398040 /nfs/dbraw/zinc/39/80/40/607398040.db2.gz HHDLYEZHHYECQY-UHFFFAOYSA-N -1 3 397.414 2.566 20 50 GFGDHM Cc1ccc(F)c(NNC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826289625 607398042 /nfs/dbraw/zinc/39/80/42/607398042.db2.gz HHDLYEZHHYECQY-UHFFFAOYSA-N -1 3 397.414 2.566 20 50 GFGDHM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000824041028 607718299 /nfs/dbraw/zinc/71/82/99/607718299.db2.gz XFHJCTVBBYTZAD-MRVPVSSYSA-N -1 3 393.270 2.938 20 50 GFGDHM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000824041028 607718301 /nfs/dbraw/zinc/71/83/01/607718301.db2.gz XFHJCTVBBYTZAD-MRVPVSSYSA-N -1 3 393.270 2.938 20 50 GFGDHM Cc1ccc(-c2nc(C)c(C(=O)NNc3cccc(-c4nnn[n-]4)c3)s2)o1 ZINC000826273857 607721449 /nfs/dbraw/zinc/72/14/49/607721449.db2.gz XEATWHLJNYXZCC-UHFFFAOYSA-N -1 3 381.421 2.957 20 50 GFGDHM Cc1ccc(-c2nc(C)c(C(=O)NNc3cccc(-c4nn[n-]n4)c3)s2)o1 ZINC000826273857 607721452 /nfs/dbraw/zinc/72/14/52/607721452.db2.gz XEATWHLJNYXZCC-UHFFFAOYSA-N -1 3 381.421 2.957 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)C2CCCC2)cc(-c2nnn[n-]2)n1C ZINC000826236083 607807968 /nfs/dbraw/zinc/80/79/68/607807968.db2.gz XZRAAYPGFHIWEB-DHDCSXOGSA-N -1 3 381.484 2.753 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)C2CCCC2)cc(-c2nn[n-]n2)n1C ZINC000826236083 607807969 /nfs/dbraw/zinc/80/79/69/607807969.db2.gz XZRAAYPGFHIWEB-DHDCSXOGSA-N -1 3 381.484 2.753 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826448162 607809106 /nfs/dbraw/zinc/80/91/06/607809106.db2.gz KODFTUBSPZDVKK-RDTXWAMCSA-N -1 3 393.451 2.661 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826448162 607809107 /nfs/dbraw/zinc/80/91/07/607809107.db2.gz KODFTUBSPZDVKK-RDTXWAMCSA-N -1 3 393.451 2.661 20 50 GFGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1Br ZINC000826444670 607887196 /nfs/dbraw/zinc/88/71/96/607887196.db2.gz PRIOJJOEUBZEGJ-UHFFFAOYSA-N -1 3 389.188 2.532 20 50 GFGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1Br ZINC000826444670 607887197 /nfs/dbraw/zinc/88/71/97/607887197.db2.gz PRIOJJOEUBZEGJ-UHFFFAOYSA-N -1 3 389.188 2.532 20 50 GFGDHM O=C(NN=Cc1cccn1Cc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444797 607888197 /nfs/dbraw/zinc/88/81/97/607888197.db2.gz UTAWSDDQZHPUAK-UHFFFAOYSA-N -1 3 377.433 2.542 20 50 GFGDHM O=C(NN=Cc1cccn1Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444797 607888198 /nfs/dbraw/zinc/88/81/98/607888198.db2.gz UTAWSDDQZHPUAK-UHFFFAOYSA-N -1 3 377.433 2.542 20 50 GFGDHM CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825128400 608109959 /nfs/dbraw/zinc/10/99/59/608109959.db2.gz SVGVIKRTHXMCAL-UHFFFAOYSA-N -1 3 394.435 2.622 20 50 GFGDHM CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825128400 608109960 /nfs/dbraw/zinc/10/99/60/608109960.db2.gz SVGVIKRTHXMCAL-UHFFFAOYSA-N -1 3 394.435 2.622 20 50 GFGDHM N#CC(=Cc1cnc2ccc(Cl)cn12)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379392 608219301 /nfs/dbraw/zinc/21/93/01/608219301.db2.gz QPHQJXLNTTWIGN-NTUHNPAUSA-N -1 3 375.779 2.958 20 50 GFGDHM N#CC(=Cc1cnc2ccc(Cl)cn12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379392 608219303 /nfs/dbraw/zinc/21/93/03/608219303.db2.gz QPHQJXLNTTWIGN-NTUHNPAUSA-N -1 3 375.779 2.958 20 50 GFGDHM CCC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCCO2 ZINC000825029548 608228288 /nfs/dbraw/zinc/22/82/88/608228288.db2.gz WAEDUTCIGAPZDW-UHFFFAOYSA-N -1 3 376.420 2.736 20 50 GFGDHM CCC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCCO2 ZINC000825029548 608228290 /nfs/dbraw/zinc/22/82/90/608228290.db2.gz WAEDUTCIGAPZDW-UHFFFAOYSA-N -1 3 376.420 2.736 20 50 GFGDHM Cc1ccc(CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1O ZINC000826286581 608280123 /nfs/dbraw/zinc/28/01/23/608280123.db2.gz HYYAAQRCXVABSR-UHFFFAOYSA-N -1 3 392.341 2.585 20 50 GFGDHM Cc1ccc(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1O ZINC000826286581 608280125 /nfs/dbraw/zinc/28/01/25/608280125.db2.gz HYYAAQRCXVABSR-UHFFFAOYSA-N -1 3 392.341 2.585 20 50 GFGDHM C[C@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000824469620 608803391 /nfs/dbraw/zinc/80/33/91/608803391.db2.gz AUZOGOABSBYIIE-URTBUVHWSA-N -1 3 390.285 2.998 20 50 GFGDHM C[C@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000824469620 608803395 /nfs/dbraw/zinc/80/33/95/608803395.db2.gz AUZOGOABSBYIIE-URTBUVHWSA-N -1 3 390.285 2.998 20 50 GFGDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1ncccc1Cl ZINC000824319118 608807609 /nfs/dbraw/zinc/80/76/09/608807609.db2.gz GQGRVJVVLYQJSL-UHFFFAOYSA-N -1 3 388.819 2.851 20 50 GFGDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1ncccc1Cl ZINC000824319118 608807611 /nfs/dbraw/zinc/80/76/11/608807611.db2.gz GQGRVJVVLYQJSL-UHFFFAOYSA-N -1 3 388.819 2.851 20 50 GFGDHM CC(C)n1cc2cc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC000824371842 608812777 /nfs/dbraw/zinc/81/27/77/608812777.db2.gz VJPSJBAQFREKOJ-UHFFFAOYSA-N -1 3 377.412 2.946 20 50 GFGDHM CC(C)n1cc2cc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC000824371842 608812779 /nfs/dbraw/zinc/81/27/79/608812779.db2.gz VJPSJBAQFREKOJ-UHFFFAOYSA-N -1 3 377.412 2.946 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1nnc(C=Cc2ccco2)s1 ZINC000826447987 608817812 /nfs/dbraw/zinc/81/78/12/608817812.db2.gz DAVAPBAUCAMWJI-VOTSOKGWSA-N -1 3 395.408 2.630 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1nnc(C=Cc2ccco2)s1 ZINC000826447987 608817814 /nfs/dbraw/zinc/81/78/14/608817814.db2.gz DAVAPBAUCAMWJI-VOTSOKGWSA-N -1 3 395.408 2.630 20 50 GFGDHM Cc1c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000826241836 608817828 /nfs/dbraw/zinc/81/78/28/608817828.db2.gz QPFBVDIIUAAMDV-UHFFFAOYSA-N -1 3 375.396 2.509 20 50 GFGDHM Cc1c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000826241836 608817830 /nfs/dbraw/zinc/81/78/30/608817830.db2.gz QPFBVDIIUAAMDV-UHFFFAOYSA-N -1 3 375.396 2.509 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948492 609160288 /nfs/dbraw/zinc/16/02/88/609160288.db2.gz PFGKLLSMZRDESB-UHFFFAOYSA-N -1 3 396.411 2.611 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948492 609160290 /nfs/dbraw/zinc/16/02/90/609160290.db2.gz PFGKLLSMZRDESB-UHFFFAOYSA-N -1 3 396.411 2.611 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000826447216 607340143 /nfs/dbraw/zinc/34/01/43/607340143.db2.gz UPQSYVHYBUNJSJ-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000826446841 607341467 /nfs/dbraw/zinc/34/14/67/607341467.db2.gz AXIQVYAYOKWFGL-UHFFFAOYSA-N -1 3 381.377 2.747 20 50 GFGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(Br)cc1F ZINC000826249425 607357947 /nfs/dbraw/zinc/35/79/47/607357947.db2.gz CEDFAJYTTPOFSK-UHFFFAOYSA-N -1 3 391.204 2.834 20 50 GFGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc(Br)cc1F ZINC000826249425 607357949 /nfs/dbraw/zinc/35/79/49/607357949.db2.gz CEDFAJYTTPOFSK-UHFFFAOYSA-N -1 3 391.204 2.834 20 50 GFGDHM Cc1cncc(C=CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826319051 607394830 /nfs/dbraw/zinc/39/48/30/607394830.db2.gz MKXVDMBSMKPUFG-DJWKRKHSSA-N -1 3 389.341 2.745 20 50 GFGDHM Cc1cncc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826319051 607394831 /nfs/dbraw/zinc/39/48/31/607394831.db2.gz MKXVDMBSMKPUFG-DJWKRKHSSA-N -1 3 389.341 2.745 20 50 GFGDHM O=C(NCc1cccc(-c2ccccn2)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826442279 607460909 /nfs/dbraw/zinc/46/09/09/607460909.db2.gz PFQLUECEHXOYNQ-UHFFFAOYSA-N -1 3 386.419 2.755 20 50 GFGDHM O=C(NCc1cccc(-c2ccccn2)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826442279 607460911 /nfs/dbraw/zinc/46/09/11/607460911.db2.gz PFQLUECEHXOYNQ-UHFFFAOYSA-N -1 3 386.419 2.755 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1NCc1cccnc1 ZINC000826448617 607464183 /nfs/dbraw/zinc/46/41/83/607464183.db2.gz CXJFCYGZUKAUFB-UHFFFAOYSA-N -1 3 386.419 2.631 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1NCc1cccnc1 ZINC000826448617 607464184 /nfs/dbraw/zinc/46/41/84/607464184.db2.gz CXJFCYGZUKAUFB-UHFFFAOYSA-N -1 3 386.419 2.631 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc2occc2[nH]1 ZINC000826446548 607570887 /nfs/dbraw/zinc/57/08/87/607570887.db2.gz PUQCUXLVYDLEIO-UHFFFAOYSA-N -1 3 377.286 2.717 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc2occc2[nH]1 ZINC000826446548 607570889 /nfs/dbraw/zinc/57/08/89/607570889.db2.gz PUQCUXLVYDLEIO-UHFFFAOYSA-N -1 3 377.286 2.717 20 50 GFGDHM Cc1oc(-c2ccccc2)nc1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826339967 607719492 /nfs/dbraw/zinc/71/94/92/607719492.db2.gz AZJHPYCJNGVUTG-UHFFFAOYSA-N -1 3 375.392 2.516 20 50 GFGDHM Cc1oc(-c2ccccc2)nc1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826339967 607719493 /nfs/dbraw/zinc/71/94/93/607719493.db2.gz AZJHPYCJNGVUTG-UHFFFAOYSA-N -1 3 375.392 2.516 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000823280965 606130347 /nfs/dbraw/zinc/13/03/47/606130347.db2.gz KAOAAYSUKICDGT-UHFFFAOYSA-N -1 3 390.325 2.673 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2c(c1)COC2 ZINC000823280965 606130348 /nfs/dbraw/zinc/13/03/48/606130348.db2.gz KAOAAYSUKICDGT-UHFFFAOYSA-N -1 3 390.325 2.673 20 50 GFGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823953437 608053650 /nfs/dbraw/zinc/05/36/50/608053650.db2.gz AAILDPVDIGNWDI-LBPRGKRZSA-N -1 3 393.407 2.759 20 50 GFGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823953437 608053651 /nfs/dbraw/zinc/05/36/51/608053651.db2.gz AAILDPVDIGNWDI-LBPRGKRZSA-N -1 3 393.407 2.759 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C#N)n1C ZINC000826235561 608185991 /nfs/dbraw/zinc/18/59/91/608185991.db2.gz MDCXRZIXVXYJAD-KCXFFNSDSA-N -1 3 387.403 2.597 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(C#N)n1C ZINC000826235561 608185992 /nfs/dbraw/zinc/18/59/92/608185992.db2.gz MDCXRZIXVXYJAD-KCXFFNSDSA-N -1 3 387.403 2.597 20 50 GFGDHM CC(C)c1cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000824342029 608202401 /nfs/dbraw/zinc/20/24/01/608202401.db2.gz JFPZOCMVBHLVRT-UHFFFAOYSA-N -1 3 381.318 2.754 20 50 GFGDHM CC(C)c1cc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000824342029 608202402 /nfs/dbraw/zinc/20/24/02/608202402.db2.gz JFPZOCMVBHLVRT-UHFFFAOYSA-N -1 3 381.318 2.754 20 50 GFGDHM COCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826162463 608214801 /nfs/dbraw/zinc/21/48/01/608214801.db2.gz CTXYTOKDBPTNNW-BOPFTXTBSA-N -1 3 375.388 2.682 20 50 GFGDHM COCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826162463 608214803 /nfs/dbraw/zinc/21/48/03/608214803.db2.gz CTXYTOKDBPTNNW-BOPFTXTBSA-N -1 3 375.388 2.682 20 50 GFGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824384842 608258214 /nfs/dbraw/zinc/25/82/14/608258214.db2.gz ICVZZWUDRWVJMZ-GFCCVEGCSA-N -1 3 398.854 2.550 20 50 GFGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824384842 608258216 /nfs/dbraw/zinc/25/82/16/608258216.db2.gz ICVZZWUDRWVJMZ-GFCCVEGCSA-N -1 3 398.854 2.550 20 50 GFGDHM O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826403857 608277193 /nfs/dbraw/zinc/27/71/93/608277193.db2.gz GEIKOOSTOJVIDY-AWEZNQCLSA-N -1 3 393.234 2.740 20 50 GFGDHM O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826403857 608277195 /nfs/dbraw/zinc/27/71/95/608277195.db2.gz GEIKOOSTOJVIDY-AWEZNQCLSA-N -1 3 393.234 2.740 20 50 GFGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000824038925 608380236 /nfs/dbraw/zinc/38/02/36/608380236.db2.gz BASCBPYTPPYYBE-JTQLQIEISA-N -1 3 387.241 2.876 20 50 GFGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000824038925 608380237 /nfs/dbraw/zinc/38/02/37/608380237.db2.gz BASCBPYTPPYYBE-JTQLQIEISA-N -1 3 387.241 2.876 20 50 GFGDHM CCOc1cc2c(cc1NC(=O)NNc1cccc(-c3nnn[n-]3)c1)O[C@H](C)C2 ZINC000825616078 608803968 /nfs/dbraw/zinc/80/39/68/608803968.db2.gz VWFURCNWDSXXRN-LLVKDONJSA-N -1 3 395.423 2.737 20 50 GFGDHM CCOc1cc2c(cc1NC(=O)NNc1cccc(-c3nn[n-]n3)c1)O[C@H](C)C2 ZINC000825616078 608803971 /nfs/dbraw/zinc/80/39/71/608803971.db2.gz VWFURCNWDSXXRN-LLVKDONJSA-N -1 3 395.423 2.737 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1Br ZINC000826448138 608807512 /nfs/dbraw/zinc/80/75/12/608807512.db2.gz JOXORGSBNVMWMF-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1Br ZINC000826448138 608807513 /nfs/dbraw/zinc/80/75/13/608807513.db2.gz JOXORGSBNVMWMF-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM CC1(C)C(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1OCc1ccccc1 ZINC000824783349 609159711 /nfs/dbraw/zinc/15/97/11/609159711.db2.gz FVCIHFLWHKUKAF-GOSISDBHSA-N -1 3 390.447 2.968 20 50 GFGDHM CC1(C)C(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1OCc1ccccc1 ZINC000824783349 609159713 /nfs/dbraw/zinc/15/97/13/609159713.db2.gz FVCIHFLWHKUKAF-GOSISDBHSA-N -1 3 390.447 2.968 20 50 GFGDHM COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826180242 609276630 /nfs/dbraw/zinc/27/66/30/609276630.db2.gz ZBBAXIJDYPJTDR-UHFFFAOYSA-N -1 3 388.790 2.822 20 50 GFGDHM COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826180242 609276631 /nfs/dbraw/zinc/27/66/31/609276631.db2.gz ZBBAXIJDYPJTDR-UHFFFAOYSA-N -1 3 388.790 2.822 20 50 GFGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823954056 609447863 /nfs/dbraw/zinc/44/78/63/609447863.db2.gz XDGPICAIWREVRW-UHFFFAOYSA-N -1 3 385.771 2.582 20 50 GFGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823954056 609447864 /nfs/dbraw/zinc/44/78/64/609447864.db2.gz XDGPICAIWREVRW-UHFFFAOYSA-N -1 3 385.771 2.582 20 50 GFGDHM Cc1oc(-c2cccs2)nc1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826340492 607336282 /nfs/dbraw/zinc/33/62/82/607336282.db2.gz AEMZKSGHGONTGW-UHFFFAOYSA-N -1 3 381.421 2.577 20 50 GFGDHM Cc1oc(-c2cccs2)nc1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826340492 607336284 /nfs/dbraw/zinc/33/62/84/607336284.db2.gz AEMZKSGHGONTGW-UHFFFAOYSA-N -1 3 381.421 2.577 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ccc(Br)cc12 ZINC000826446422 607343333 /nfs/dbraw/zinc/34/33/33/607343333.db2.gz KTINXLGNFPRABW-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000826446527 607349471 /nfs/dbraw/zinc/34/94/71/607349471.db2.gz OWDKOQDJQSUNLL-HUUCEWRRSA-N -1 3 399.252 2.876 20 50 GFGDHM O=C(CCc1ccc(OC(F)(F)F)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408540 607351945 /nfs/dbraw/zinc/35/19/45/607351945.db2.gz KUVCEWZRHVTBEU-UHFFFAOYSA-N -1 3 392.341 2.841 20 50 GFGDHM O=C(NNc1ccc(C(F)(F)F)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826447772 607392121 /nfs/dbraw/zinc/39/21/21/607392121.db2.gz VIRSYWIHTRBXAB-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccc(C(F)(F)F)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826447772 607392122 /nfs/dbraw/zinc/39/21/22/607392122.db2.gz VIRSYWIHTRBXAB-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(COc1c(Cl)cccc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826416613 607731820 /nfs/dbraw/zinc/73/18/20/607731820.db2.gz HZZAXBSVUZWYQW-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=C(COc1c(Cl)cccc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826416613 607731822 /nfs/dbraw/zinc/73/18/22/607731822.db2.gz HZZAXBSVUZWYQW-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823281711 606881022 /nfs/dbraw/zinc/88/10/22/606881022.db2.gz WJENJCUAELMULK-INIZCTEOSA-N -1 3 391.435 2.939 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823281711 606881024 /nfs/dbraw/zinc/88/10/24/606881024.db2.gz WJENJCUAELMULK-INIZCTEOSA-N -1 3 391.435 2.939 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826448159 607808952 /nfs/dbraw/zinc/80/89/52/607808952.db2.gz KODFTUBSPZDVKK-KBXCAEBGSA-N -1 3 393.451 2.661 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826448159 607808953 /nfs/dbraw/zinc/80/89/53/607808953.db2.gz KODFTUBSPZDVKK-KBXCAEBGSA-N -1 3 393.451 2.661 20 50 GFGDHM O=C(NCC1(c2ccc(F)cc2F)CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826434412 608073035 /nfs/dbraw/zinc/07/30/35/608073035.db2.gz MDAGGQXWAFFERF-UHFFFAOYSA-N -1 3 385.378 2.503 20 50 GFGDHM O=C(NCC1(c2ccc(F)cc2F)CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826434412 608073036 /nfs/dbraw/zinc/07/30/36/608073036.db2.gz MDAGGQXWAFFERF-UHFFFAOYSA-N -1 3 385.378 2.503 20 50 GFGDHM Cc1cn2c(/C=C(\C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)c(C)nc2s1 ZINC000826317106 608214989 /nfs/dbraw/zinc/21/49/89/608214989.db2.gz MZPWNQZGSLFRNC-VGOFMYFVSA-N -1 3 375.417 2.983 20 50 GFGDHM CC(C)CC(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824229832 608803139 /nfs/dbraw/zinc/80/31/39/608803139.db2.gz VPKITCWBZQHJAJ-UHFFFAOYSA-N -1 3 394.439 3.000 20 50 GFGDHM CC(C)CC(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824229832 608803141 /nfs/dbraw/zinc/80/31/41/608803141.db2.gz VPKITCWBZQHJAJ-UHFFFAOYSA-N -1 3 394.439 3.000 20 50 GFGDHM CC(C)(C)NC(=O)c1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824093436 608810902 /nfs/dbraw/zinc/81/09/02/608810902.db2.gz IBGNOPIKXMHXAZ-UHFFFAOYSA-N -1 3 394.439 2.544 20 50 GFGDHM CC(C)(C)NC(=O)c1ccccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824093436 608810903 /nfs/dbraw/zinc/81/09/03/608810903.db2.gz IBGNOPIKXMHXAZ-UHFFFAOYSA-N -1 3 394.439 2.544 20 50 GFGDHM Cc1cnn(-c2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2F)c1 ZINC000826319382 608814209 /nfs/dbraw/zinc/81/42/09/608814209.db2.gz AEAZQZYILJVNDC-UHFFFAOYSA-N -1 3 393.386 2.649 20 50 GFGDHM Cc1cnn(-c2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2F)c1 ZINC000826319382 608814210 /nfs/dbraw/zinc/81/42/10/608814210.db2.gz AEAZQZYILJVNDC-UHFFFAOYSA-N -1 3 393.386 2.649 20 50 GFGDHM CC(=O)Nc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000823999514 608876132 /nfs/dbraw/zinc/87/61/32/608876132.db2.gz DKRVDUYIIFLDBY-MDWZMJQESA-N -1 3 391.366 2.510 20 50 GFGDHM CC(=O)Nc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000823999514 608876134 /nfs/dbraw/zinc/87/61/34/608876134.db2.gz DKRVDUYIIFLDBY-MDWZMJQESA-N -1 3 391.366 2.510 20 50 GFGDHM CC(=NNC(=O)c1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823947996 609273008 /nfs/dbraw/zinc/27/30/08/609273008.db2.gz BGLCCFADTQWNMK-UHFFFAOYSA-N -1 3 375.367 2.708 20 50 GFGDHM CC(=NNC(=O)c1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823947996 609273009 /nfs/dbraw/zinc/27/30/09/609273009.db2.gz BGLCCFADTQWNMK-UHFFFAOYSA-N -1 3 375.367 2.708 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCc2ccncc2)cc1 ZINC000826446906 607342192 /nfs/dbraw/zinc/34/21/92/607342192.db2.gz DNFBKTAHIQARSI-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2cccc(Cl)c2)on1 ZINC000826446112 607347230 /nfs/dbraw/zinc/34/72/30/607347230.db2.gz AAUDCYZNUQDGSB-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000826446549 607347237 /nfs/dbraw/zinc/34/72/37/607347237.db2.gz PVSYJDQMBFGQAJ-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM CCCOc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OCC ZINC000825339223 607352447 /nfs/dbraw/zinc/35/24/47/607352447.db2.gz SBBXCZXWMKBFLM-UHFFFAOYSA-N -1 3 382.424 2.811 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccc(Cl)s2)on1 ZINC000826446758 607356124 /nfs/dbraw/zinc/35/61/24/607356124.db2.gz XEOPPDJSHCENTD-UHFFFAOYSA-N -1 3 387.812 2.994 20 50 GFGDHM O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406624 607354442 /nfs/dbraw/zinc/35/44/42/607354442.db2.gz FYSSYCCECSNLJR-UHFFFAOYSA-N -1 3 389.419 2.988 20 50 GFGDHM O=C(NNc1ccc(OC(F)(F)F)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826447488 607391756 /nfs/dbraw/zinc/39/17/56/607391756.db2.gz HREFMLGTDQAIBZ-UHFFFAOYSA-N -1 3 399.720 2.571 20 50 GFGDHM O=C(NNc1ccc(OC(F)(F)F)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826447488 607391758 /nfs/dbraw/zinc/39/17/58/607391758.db2.gz HREFMLGTDQAIBZ-UHFFFAOYSA-N -1 3 399.720 2.571 20 50 GFGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1cccc2c1CCCC2 ZINC000824745621 607392525 /nfs/dbraw/zinc/39/25/25/607392525.db2.gz SHAGQXMFQDRMPV-ZDUSSCGKSA-N -1 3 378.436 2.656 20 50 GFGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1cccc2c1CCCC2 ZINC000824745621 607392527 /nfs/dbraw/zinc/39/25/27/607392527.db2.gz SHAGQXMFQDRMPV-ZDUSSCGKSA-N -1 3 378.436 2.656 20 50 GFGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccc(C(F)(F)F)cc1 ZINC000824738848 607634895 /nfs/dbraw/zinc/63/48/95/607634895.db2.gz RWRFSJOZLHRIHY-SNVBAGLBSA-N -1 3 392.341 2.796 20 50 GFGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNc1ccc(Cl)cc1Cl ZINC000826419003 607712624 /nfs/dbraw/zinc/71/26/24/607712624.db2.gz GEYDPZHPJRHVQJ-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNc1ccc(Cl)cc1Cl ZINC000826419003 607712626 /nfs/dbraw/zinc/71/26/26/607712626.db2.gz GEYDPZHPJRHVQJ-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(CCCCl)cc1 ZINC000823594165 607143083 /nfs/dbraw/zinc/14/30/83/607143083.db2.gz CNDFJAOXMYRQQA-UHFFFAOYSA-N -1 3 396.831 2.945 20 50 GFGDHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(CCCCl)cc1 ZINC000823594165 607143085 /nfs/dbraw/zinc/14/30/85/607143085.db2.gz CNDFJAOXMYRQQA-UHFFFAOYSA-N -1 3 396.831 2.945 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cccc(Br)c12 ZINC000826446153 608200460 /nfs/dbraw/zinc/20/04/60/608200460.db2.gz BPPLMCVYZXZFQW-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM CC(C)C(=O)Nc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824185059 608802774 /nfs/dbraw/zinc/80/27/74/608802774.db2.gz QFQDPIANKXQUPC-UHFFFAOYSA-N -1 3 380.412 2.610 20 50 GFGDHM CC(C)C(=O)Nc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824185059 608802777 /nfs/dbraw/zinc/80/27/77/608802777.db2.gz QFQDPIANKXQUPC-UHFFFAOYSA-N -1 3 380.412 2.610 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1nnc(-c2ccsc2)s1 ZINC000826448358 608810141 /nfs/dbraw/zinc/81/01/41/608810141.db2.gz RTZYDRDRQZTXIR-UHFFFAOYSA-N -1 3 385.438 2.595 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1nnc(-c2ccsc2)s1 ZINC000826448358 608810143 /nfs/dbraw/zinc/81/01/43/608810143.db2.gz RTZYDRDRQZTXIR-UHFFFAOYSA-N -1 3 385.438 2.595 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000826448322 608812854 /nfs/dbraw/zinc/81/28/54/608812854.db2.gz QQOQPAWRFUAWKH-UHFFFAOYSA-N -1 3 396.414 2.810 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000826448322 608812856 /nfs/dbraw/zinc/81/28/56/608812856.db2.gz QQOQPAWRFUAWKH-UHFFFAOYSA-N -1 3 396.414 2.810 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1OCC1CC1 ZINC000826448439 608816054 /nfs/dbraw/zinc/81/60/54/608816054.db2.gz VMWNXQKAVLHTHY-UHFFFAOYSA-N -1 3 383.387 2.943 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1OCC1CC1 ZINC000826448439 608816057 /nfs/dbraw/zinc/81/60/57/608816057.db2.gz VMWNXQKAVLHTHY-UHFFFAOYSA-N -1 3 383.387 2.943 20 50 GFGDHM O=C(NNc1ccnc(F)c1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449497 609299393 /nfs/dbraw/zinc/29/93/93/609299393.db2.gz VUOVPFIOGRPBAI-UHFFFAOYSA-N -1 3 391.366 2.950 20 50 GFGDHM Cc1cc(C(=O)NNc2ccnc(F)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260534 609299867 /nfs/dbraw/zinc/29/98/67/609299867.db2.gz SQMIAJWUULWVKA-UHFFFAOYSA-N -1 3 392.398 2.565 20 50 GFGDHM CC(C)(C)OC(=O)c1cccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824114476 609305369 /nfs/dbraw/zinc/30/53/69/609305369.db2.gz SLVTYJCFAWUWCD-UHFFFAOYSA-N -1 3 392.419 2.586 20 50 GFGDHM CC(C)(C)OC(=O)c1cccc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824114476 609305370 /nfs/dbraw/zinc/30/53/70/609305370.db2.gz SLVTYJCFAWUWCD-UHFFFAOYSA-N -1 3 392.419 2.586 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000826259840 607334470 /nfs/dbraw/zinc/33/44/70/607334470.db2.gz JATJOKHUHOJWFN-UHFFFAOYSA-N -1 3 398.430 2.903 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000826259840 607334472 /nfs/dbraw/zinc/33/44/72/607334472.db2.gz JATJOKHUHOJWFN-UHFFFAOYSA-N -1 3 398.430 2.903 20 50 GFGDHM O=C(NNc1ccccc1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826449495 607338294 /nfs/dbraw/zinc/33/82/94/607338294.db2.gz VTSLYSPURDKEJA-UHFFFAOYSA-N -1 3 394.366 2.935 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccnc1SC(F)(F)F ZINC000826448726 607338299 /nfs/dbraw/zinc/33/82/99/607338299.db2.gz IOBFIVGCDVKGAB-UHFFFAOYSA-N -1 3 381.343 2.631 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccnc1SC(F)(F)F ZINC000826448726 607338300 /nfs/dbraw/zinc/33/83/00/607338300.db2.gz IOBFIVGCDVKGAB-UHFFFAOYSA-N -1 3 381.343 2.631 20 50 GFGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=S)Nc1ccccc1C(C)C ZINC000826249402 607339066 /nfs/dbraw/zinc/33/90/66/607339066.db2.gz AUNVLNBJLVYTIC-UHFFFAOYSA-N -1 3 395.492 2.930 20 50 GFGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=S)Nc1ccccc1C(C)C ZINC000826249402 607339068 /nfs/dbraw/zinc/33/90/68/607339068.db2.gz AUNVLNBJLVYTIC-UHFFFAOYSA-N -1 3 395.492 2.930 20 50 GFGDHM COc1cc(C2(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCC2)ccc1C ZINC000826178763 607340509 /nfs/dbraw/zinc/34/05/09/607340509.db2.gz LLGVEPUOSWXLLZ-UHFFFAOYSA-N -1 3 378.436 2.749 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000826447510 607341478 /nfs/dbraw/zinc/34/14/78/607341478.db2.gz JETRPXKRMGRICH-UHFFFAOYSA-N -1 3 386.419 2.687 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC000826446824 607351025 /nfs/dbraw/zinc/35/10/25/607351025.db2.gz ACIDQCJKYRCURZ-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM CCCCOc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000825291858 607349203 /nfs/dbraw/zinc/34/92/03/607349203.db2.gz YHZUXZFDUFYWNM-UHFFFAOYSA-N -1 3 382.424 2.811 20 50 GFGDHM CN(c1ccccc1)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826010527 607354985 /nfs/dbraw/zinc/35/49/85/607354985.db2.gz MGUBIZJPXNKAKY-UHFFFAOYSA-N -1 3 386.419 2.787 20 50 GFGDHM Cc1cc(F)ccc1NNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826268500 607393328 /nfs/dbraw/zinc/39/33/28/607393328.db2.gz ABDZYIWNVXJLMO-UHFFFAOYSA-N -1 3 397.414 2.566 20 50 GFGDHM Cc1cc(F)ccc1NNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826268500 607393330 /nfs/dbraw/zinc/39/33/30/607393330.db2.gz ABDZYIWNVXJLMO-UHFFFAOYSA-N -1 3 397.414 2.566 20 50 GFGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNc1ccc(Cl)cc1Cl ZINC000826418808 607712307 /nfs/dbraw/zinc/71/23/07/607712307.db2.gz XGDBKPOHODCUMM-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNc1ccc(Cl)cc1Cl ZINC000826418808 607712309 /nfs/dbraw/zinc/71/23/09/607712309.db2.gz XGDBKPOHODCUMM-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(c2ccc(Br)cc2)CC1 ZINC000826447503 607723281 /nfs/dbraw/zinc/72/32/81/607723281.db2.gz IOFZSRHAJUKDSC-UHFFFAOYSA-N -1 3 399.252 2.804 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2ccc(Br)cc2)CC1 ZINC000826447503 607723284 /nfs/dbraw/zinc/72/32/84/607723284.db2.gz IOFZSRHAJUKDSC-UHFFFAOYSA-N -1 3 399.252 2.804 20 50 GFGDHM C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824738835 607882579 /nfs/dbraw/zinc/88/25/79/607882579.db2.gz RSOGRJRFORYLPA-AWEZNQCLSA-N -1 3 386.415 2.938 20 50 GFGDHM C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824738835 607882580 /nfs/dbraw/zinc/88/25/80/607882580.db2.gz RSOGRJRFORYLPA-AWEZNQCLSA-N -1 3 386.415 2.938 20 50 GFGDHM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1-c1nnn[n-]1 ZINC000826190787 608386893 /nfs/dbraw/zinc/38/68/93/608386893.db2.gz NIWXUZKSHJHLOP-QPEQYQDCSA-N -1 3 378.348 2.856 20 50 GFGDHM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1-c1nn[n-]n1 ZINC000826190787 608386895 /nfs/dbraw/zinc/38/68/95/608386895.db2.gz NIWXUZKSHJHLOP-QPEQYQDCSA-N -1 3 378.348 2.856 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2Cl)cc(-c2nnn[n-]2)n1C ZINC000826235828 608569414 /nfs/dbraw/zinc/56/94/14/608569414.db2.gz SAQSGOLSKZGRBL-KYJZABPNSA-N -1 3 395.854 2.951 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2Cl)cc(-c2nn[n-]n2)n1C ZINC000826235828 608569415 /nfs/dbraw/zinc/56/94/15/608569415.db2.gz SAQSGOLSKZGRBL-KYJZABPNSA-N -1 3 395.854 2.951 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(OCc2cccnc2)cc1 ZINC000826448883 607334876 /nfs/dbraw/zinc/33/48/76/607334876.db2.gz QMHCQRQFVVJWOX-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(OCc2cccnc2)cc1 ZINC000826448883 607334878 /nfs/dbraw/zinc/33/48/78/607334878.db2.gz QMHCQRQFVVJWOX-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000826447124 607341180 /nfs/dbraw/zinc/34/11/80/607341180.db2.gz OILAYUUZDLPNLV-UHFFFAOYSA-N -1 3 385.334 2.706 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000826446482 607343436 /nfs/dbraw/zinc/34/34/36/607343436.db2.gz NFMFLRVBIXABQJ-GJZGRUSLSA-N -1 3 399.252 2.876 20 50 GFGDHM CCCn1c(C)cc(C=C(C#N)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825351688 607353784 /nfs/dbraw/zinc/35/37/84/607353784.db2.gz HKHWWJGZRMKWJE-GZTJUZNOSA-N -1 3 390.451 2.745 20 50 GFGDHM COc1ccc(-c2ncc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC000826182088 607353977 /nfs/dbraw/zinc/35/39/77/607353977.db2.gz ZNJVAMOZHHLJMQ-UHFFFAOYSA-N -1 3 393.432 2.756 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2ccc(Br)cc2[nH]1 ZINC000826447280 607355798 /nfs/dbraw/zinc/35/57/98/607355798.db2.gz XWTMREFDEJUCDH-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Br ZINC000826448351 607715749 /nfs/dbraw/zinc/71/57/49/607715749.db2.gz RLULMUAZJIDDOD-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Br ZINC000826448351 607715750 /nfs/dbraw/zinc/71/57/50/607715750.db2.gz RLULMUAZJIDDOD-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(OCC(F)(F)F)c1 ZINC000826448619 607730620 /nfs/dbraw/zinc/73/06/20/607730620.db2.gz CZKMHJKBHQPSNK-UHFFFAOYSA-N -1 3 378.314 2.565 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(OCC(F)(F)F)c1 ZINC000826448619 607730621 /nfs/dbraw/zinc/73/06/21/607730621.db2.gz CZKMHJKBHQPSNK-UHFFFAOYSA-N -1 3 378.314 2.565 20 50 GFGDHM O=C(NNc1cccc(C(F)(F)F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823280782 606694395 /nfs/dbraw/zinc/69/43/95/606694395.db2.gz GDUVGVFFJQLXRZ-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1cccc(C(F)(F)F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823280782 606694396 /nfs/dbraw/zinc/69/43/96/606694396.db2.gz GDUVGVFFJQLXRZ-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823281716 606881252 /nfs/dbraw/zinc/88/12/52/606881252.db2.gz WJENJCUAELMULK-MRXNPFEDSA-N -1 3 391.435 2.939 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823281716 606881253 /nfs/dbraw/zinc/88/12/53/606881253.db2.gz WJENJCUAELMULK-MRXNPFEDSA-N -1 3 391.435 2.939 20 50 GFGDHM Cc1c(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000826241055 608141148 /nfs/dbraw/zinc/14/11/48/608141148.db2.gz PUTXBDICXHYIPY-UHFFFAOYSA-N -1 3 393.451 2.554 20 50 GFGDHM Cc1c(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000826241055 608141149 /nfs/dbraw/zinc/14/11/49/608141149.db2.gz PUTXBDICXHYIPY-UHFFFAOYSA-N -1 3 393.451 2.554 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)c2cccc(C#N)c2)cc(-c2nnn[n-]2)n1C ZINC000826235871 608186251 /nfs/dbraw/zinc/18/62/51/608186251.db2.gz TTXIMVZVJMUUPG-RSQQOUAVSA-N -1 3 387.403 2.597 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)c2cccc(C#N)c2)cc(-c2nn[n-]n2)n1C ZINC000826235871 608186254 /nfs/dbraw/zinc/18/62/54/608186254.db2.gz TTXIMVZVJMUUPG-RSQQOUAVSA-N -1 3 387.403 2.597 20 50 GFGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000826179119 608214724 /nfs/dbraw/zinc/21/47/24/608214724.db2.gz ZXRASXYPWWSZBA-VIZOYTHASA-N -1 3 391.387 2.682 20 50 GFGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000826179119 608214726 /nfs/dbraw/zinc/21/47/26/608214726.db2.gz ZXRASXYPWWSZBA-VIZOYTHASA-N -1 3 391.387 2.682 20 50 GFGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNc1c(Cl)cc(F)cc1Cl ZINC000826419228 608450621 /nfs/dbraw/zinc/45/06/21/608450621.db2.gz ORTIFEYYMJJZRM-UHFFFAOYSA-N -1 3 397.197 2.835 20 50 GFGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNc1c(Cl)cc(F)cc1Cl ZINC000826419228 608450622 /nfs/dbraw/zinc/45/06/22/608450622.db2.gz ORTIFEYYMJJZRM-UHFFFAOYSA-N -1 3 397.197 2.835 20 50 GFGDHM COc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(OC)cc1Cl ZINC000826180399 608804576 /nfs/dbraw/zinc/80/45/76/608804576.db2.gz FZFMZAJMQHWPFB-UHFFFAOYSA-N -1 3 389.803 2.686 20 50 GFGDHM COc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(OC)cc1Cl ZINC000826180399 608804577 /nfs/dbraw/zinc/80/45/77/608804577.db2.gz FZFMZAJMQHWPFB-UHFFFAOYSA-N -1 3 389.803 2.686 20 50 GFGDHM CCCOC(=O)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825338521 608806185 /nfs/dbraw/zinc/80/61/85/608806185.db2.gz BHSPMBVCMSXXGQ-UHFFFAOYSA-N -1 3 381.396 2.582 20 50 GFGDHM CCCOC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825338521 608806187 /nfs/dbraw/zinc/80/61/87/608806187.db2.gz BHSPMBVCMSXXGQ-UHFFFAOYSA-N -1 3 381.396 2.582 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000826448399 608807449 /nfs/dbraw/zinc/80/74/49/608807449.db2.gz UJUYAALBOFHHQN-QGZVFWFLSA-N -1 3 395.423 2.573 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000826448399 608807450 /nfs/dbraw/zinc/80/74/50/608807450.db2.gz UJUYAALBOFHHQN-QGZVFWFLSA-N -1 3 395.423 2.573 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2csnn2)cc1 ZINC000826448183 608810358 /nfs/dbraw/zinc/81/03/58/608810358.db2.gz LAYBTCMCNLYMHH-UHFFFAOYSA-N -1 3 379.409 2.534 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2csnn2)cc1 ZINC000826448183 608810361 /nfs/dbraw/zinc/81/03/61/608810361.db2.gz LAYBTCMCNLYMHH-UHFFFAOYSA-N -1 3 379.409 2.534 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(Br)ccc1F ZINC000826448560 608812822 /nfs/dbraw/zinc/81/28/22/608812822.db2.gz ZYFZUXRXZGXPNR-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cc(Br)ccc1F ZINC000826448560 608812824 /nfs/dbraw/zinc/81/28/24/608812824.db2.gz ZYFZUXRXZGXPNR-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc(CF)cc2)cc(-c2nnn[n-]2)n1C ZINC000826235745 609237516 /nfs/dbraw/zinc/23/75/16/609237516.db2.gz QCVKFMRLWZDEBY-FRKPEAEDSA-N -1 3 380.383 2.634 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc(CF)cc2)cc(-c2nn[n-]n2)n1C ZINC000826235745 609237517 /nfs/dbraw/zinc/23/75/17/609237517.db2.gz QCVKFMRLWZDEBY-FRKPEAEDSA-N -1 3 380.383 2.634 20 50 GFGDHM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385469 609259347 /nfs/dbraw/zinc/25/93/47/609259347.db2.gz UTGMCOKWNXFGSB-NSHDSACASA-N -1 3 384.827 2.872 20 50 GFGDHM C[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385469 609259349 /nfs/dbraw/zinc/25/93/49/609259349.db2.gz UTGMCOKWNXFGSB-NSHDSACASA-N -1 3 384.827 2.872 20 50 GFGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826272782 609262992 /nfs/dbraw/zinc/26/29/92/609262992.db2.gz ANTTVDBFEIAOOR-CYBMUJFWSA-N -1 3 389.419 2.634 20 50 GFGDHM CCCOc1ccc(C(=O)CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825339196 607341683 /nfs/dbraw/zinc/34/16/83/607341683.db2.gz RCOPAXPMHFIQJI-UHFFFAOYSA-N -1 3 394.435 2.762 20 50 GFGDHM CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824114669 607348727 /nfs/dbraw/zinc/34/87/27/607348727.db2.gz ZXOBSKMPPMNXMW-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM Cc1oc(-c2cccs2)nc1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826340974 607355376 /nfs/dbraw/zinc/35/53/76/607355376.db2.gz QQTCIEVWPHABJC-UHFFFAOYSA-N -1 3 381.421 2.577 20 50 GFGDHM Cc1ccc(C)c(NNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826285087 607388799 /nfs/dbraw/zinc/38/87/99/607388799.db2.gz PGCVNZIJYTZRMR-SFHVURJKSA-N -1 3 377.452 2.596 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1ccc(OC(F)(F)F)cc1 ZINC000826402416 607392103 /nfs/dbraw/zinc/39/21/03/607392103.db2.gz TXJFGKNFXKPRSP-BJMVGYQFSA-N -1 3 390.325 2.922 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccc(OC(F)(F)F)cc1 ZINC000826402416 607392104 /nfs/dbraw/zinc/39/21/04/607392104.db2.gz TXJFGKNFXKPRSP-BJMVGYQFSA-N -1 3 390.325 2.922 20 50 GFGDHM N#Cc1ccc(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000826385453 607396899 /nfs/dbraw/zinc/39/68/99/607396899.db2.gz NBPXPIFHIDUWKC-SOFGYWHQSA-N -1 3 399.336 2.914 20 50 GFGDHM N#Cc1ccc(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000826385453 607396901 /nfs/dbraw/zinc/39/69/01/607396901.db2.gz NBPXPIFHIDUWKC-SOFGYWHQSA-N -1 3 399.336 2.914 20 50 GFGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(Cl)cc1 ZINC000826234544 607715188 /nfs/dbraw/zinc/71/51/88/607715188.db2.gz BJEDQOQWPJXFLK-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccc(Cl)cc1 ZINC000826234544 607715190 /nfs/dbraw/zinc/71/51/90/607715190.db2.gz BJEDQOQWPJXFLK-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2ccc(Br)cc12 ZINC000826448442 607718016 /nfs/dbraw/zinc/71/80/16/607718016.db2.gz VPJOEOOKRWMQDL-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2ccc(Br)cc12 ZINC000826448442 607718017 /nfs/dbraw/zinc/71/80/17/607718017.db2.gz VPJOEOOKRWMQDL-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826448161 607809067 /nfs/dbraw/zinc/80/90/67/607809067.db2.gz KODFTUBSPZDVKK-KSSFIOAISA-N -1 3 393.451 2.661 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826448161 607809068 /nfs/dbraw/zinc/80/90/68/607809068.db2.gz KODFTUBSPZDVKK-KSSFIOAISA-N -1 3 393.451 2.661 20 50 GFGDHM CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c1C ZINC000825553013 607883453 /nfs/dbraw/zinc/88/34/53/607883453.db2.gz HVBUHRXVAYMRHI-ZROIWOOFSA-N -1 3 390.403 2.778 20 50 GFGDHM CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000825553013 607883454 /nfs/dbraw/zinc/88/34/54/607883454.db2.gz HVBUHRXVAYMRHI-ZROIWOOFSA-N -1 3 390.403 2.778 20 50 GFGDHM O=C(NN=Cc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444338 608054470 /nfs/dbraw/zinc/05/44/70/608054470.db2.gz BKDWWRHAHULEPL-UHFFFAOYSA-N -1 3 389.188 2.532 20 50 GFGDHM O=C(NN=Cc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444338 608054471 /nfs/dbraw/zinc/05/44/71/608054471.db2.gz BKDWWRHAHULEPL-UHFFFAOYSA-N -1 3 389.188 2.532 20 50 GFGDHM COc1ccc2cc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC000826212815 608809326 /nfs/dbraw/zinc/80/93/26/608809326.db2.gz BYYUXSBVUXVSKI-UHFFFAOYSA-N -1 3 376.380 2.572 20 50 GFGDHM COc1ccc2cc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC000826212815 608809329 /nfs/dbraw/zinc/80/93/29/608809329.db2.gz BYYUXSBVUXVSKI-UHFFFAOYSA-N -1 3 376.380 2.572 20 50 GFGDHM Cc1cnc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)c1 ZINC000826317547 609162296 /nfs/dbraw/zinc/16/22/96/609162296.db2.gz GSYIQXPDYADZQY-UHFFFAOYSA-N -1 3 377.330 2.654 20 50 GFGDHM Cc1cnc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)c1 ZINC000826317547 609162298 /nfs/dbraw/zinc/16/22/98/609162298.db2.gz GSYIQXPDYADZQY-UHFFFAOYSA-N -1 3 377.330 2.654 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000826449405 607338760 /nfs/dbraw/zinc/33/87/60/607338760.db2.gz QGTJGQMVWQVSDO-UHFFFAOYSA-N -1 3 399.414 2.621 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000826449405 607338762 /nfs/dbraw/zinc/33/87/62/607338762.db2.gz QGTJGQMVWQVSDO-UHFFFAOYSA-N -1 3 399.414 2.621 20 50 GFGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(F)cc1Br ZINC000826249600 607339214 /nfs/dbraw/zinc/33/92/14/607339214.db2.gz KVFSULSSEZUWNQ-UHFFFAOYSA-N -1 3 391.204 2.834 20 50 GFGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc(F)cc1Br ZINC000826249600 607339215 /nfs/dbraw/zinc/33/92/15/607339215.db2.gz KVFSULSSEZUWNQ-UHFFFAOYSA-N -1 3 391.204 2.834 20 50 GFGDHM C=CCOc1ccc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000823932135 607343880 /nfs/dbraw/zinc/34/38/80/607343880.db2.gz PPQKGDPEJANJTD-VZUCSPMQSA-N -1 3 392.419 2.597 20 50 GFGDHM Cc1cc(C)n(-c2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2F)n1 ZINC000826265134 607348074 /nfs/dbraw/zinc/34/80/74/607348074.db2.gz MUCLOLRCOXUCFX-UHFFFAOYSA-N -1 3 392.398 2.565 20 50 GFGDHM CC(C)(C)Oc1cccc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824123236 607355818 /nfs/dbraw/zinc/35/58/18/607355818.db2.gz ANZCOLMBBHYJCP-UHFFFAOYSA-N -1 3 381.440 2.515 20 50 GFGDHM Cc1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(Cl)n1 ZINC000826281680 607394864 /nfs/dbraw/zinc/39/48/64/607394864.db2.gz FKGVIGZSOHIYDB-UHFFFAOYSA-N -1 3 397.748 2.999 20 50 GFGDHM Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(Cl)n1 ZINC000826281680 607394866 /nfs/dbraw/zinc/39/48/66/607394866.db2.gz FKGVIGZSOHIYDB-UHFFFAOYSA-N -1 3 397.748 2.999 20 50 GFGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1cccc2cnccc21 ZINC000824173453 607396995 /nfs/dbraw/zinc/39/69/95/607396995.db2.gz ZVWCQUYSXORYNM-UHFFFAOYSA-N -1 3 389.419 2.716 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccncc1Cl ZINC000823281273 606129277 /nfs/dbraw/zinc/12/92/77/606129277.db2.gz QJGDWLGMUHSBEN-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccncc1Cl ZINC000823281273 606129278 /nfs/dbraw/zinc/12/92/78/606129278.db2.gz QJGDWLGMUHSBEN-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccccc1C(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823280958 606663971 /nfs/dbraw/zinc/66/39/71/606663971.db2.gz JVJKWQNBGHHCLO-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1ccccc1C(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823280958 606663972 /nfs/dbraw/zinc/66/39/72/606663972.db2.gz JVJKWQNBGHHCLO-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C1CC(c2cccc(Cl)c2)C1 ZINC000826419090 607816640 /nfs/dbraw/zinc/81/66/40/607816640.db2.gz IWGHNPVHNVEGKZ-UHFFFAOYSA-N -1 3 396.838 2.949 20 50 GFGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C1CC(c2cccc(Cl)c2)C1 ZINC000826419090 607816641 /nfs/dbraw/zinc/81/66/41/607816641.db2.gz IWGHNPVHNVEGKZ-UHFFFAOYSA-N -1 3 396.838 2.949 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000826447321 607996061 /nfs/dbraw/zinc/99/60/61/607996061.db2.gz ZTKRVWSESBMEAY-UHFFFAOYSA-N -1 3 399.414 2.876 20 50 GFGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C1C[C@H]2CCCc3cccc1c32 ZINC000826418930 608110643 /nfs/dbraw/zinc/11/06/43/608110643.db2.gz BUNNEGCICZXZKT-CQSZACIVSA-N -1 3 388.431 2.590 20 50 GFGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C1C[C@H]2CCCc3cccc1c32 ZINC000826418930 608110644 /nfs/dbraw/zinc/11/06/44/608110644.db2.gz BUNNEGCICZXZKT-CQSZACIVSA-N -1 3 388.431 2.590 20 50 GFGDHM COc1cc(OC)c(OC)cc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826181118 608215096 /nfs/dbraw/zinc/21/50/96/608215096.db2.gz LNZKMQSYSNFLAJ-NVNXTCNLSA-N -1 3 391.387 2.682 20 50 GFGDHM COc1cc(OC)c(OC)cc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826181118 608215097 /nfs/dbraw/zinc/21/50/97/608215097.db2.gz LNZKMQSYSNFLAJ-NVNXTCNLSA-N -1 3 391.387 2.682 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000826190672 608347014 /nfs/dbraw/zinc/34/70/14/608347014.db2.gz JBCXWADGVPFKTN-SXGWCWSVSA-N -1 3 391.387 2.534 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000826190672 608347015 /nfs/dbraw/zinc/34/70/15/608347015.db2.gz JBCXWADGVPFKTN-SXGWCWSVSA-N -1 3 391.387 2.534 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC(F)F)c(F)c1 ZINC000826448452 608807436 /nfs/dbraw/zinc/80/74/36/608807436.db2.gz WDPGSTNEZUIPSI-UHFFFAOYSA-N -1 3 379.302 2.756 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC(F)F)c(F)c1 ZINC000826448452 608807439 /nfs/dbraw/zinc/80/74/39/608807439.db2.gz WDPGSTNEZUIPSI-UHFFFAOYSA-N -1 3 379.302 2.756 20 50 GFGDHM O=C(NNc1ncccc1Cl)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826450006 608810297 /nfs/dbraw/zinc/81/02/97/608810297.db2.gz SKYKPRFWZADCIY-UHFFFAOYSA-N -1 3 396.745 2.665 20 50 GFGDHM O=C(NNc1ncccc1Cl)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826450006 608810300 /nfs/dbraw/zinc/81/03/00/608810300.db2.gz SKYKPRFWZADCIY-UHFFFAOYSA-N -1 3 396.745 2.665 20 50 GFGDHM O=C(NNc1cnccn1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826450125 608812972 /nfs/dbraw/zinc/81/29/72/608812972.db2.gz XZGJRXLRPHNQFG-UHFFFAOYSA-N -1 3 389.379 2.598 20 50 GFGDHM O=C(NNc1cnccn1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826450125 608812973 /nfs/dbraw/zinc/81/29/73/608812973.db2.gz XZGJRXLRPHNQFG-UHFFFAOYSA-N -1 3 389.379 2.598 20 50 GFGDHM CC1(C)C(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1OCc1ccccc1 ZINC000824784263 609159493 /nfs/dbraw/zinc/15/94/93/609159493.db2.gz QCUSWODZPZSGKB-GOSISDBHSA-N -1 3 390.447 2.968 20 50 GFGDHM CC1(C)C(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1OCc1ccccc1 ZINC000824784263 609159495 /nfs/dbraw/zinc/15/94/95/609159495.db2.gz QCUSWODZPZSGKB-GOSISDBHSA-N -1 3 390.447 2.968 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(c3ccccc3C)C2)cc(-c2nnn[n-]2)n1C ZINC000826306714 609502962 /nfs/dbraw/zinc/50/29/62/609502962.db2.gz JBEKPFRJACVVAS-VCHYOVAHSA-N -1 3 399.458 2.655 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(c3ccccc3C)C2)cc(-c2nn[n-]n2)n1C ZINC000826306714 609502965 /nfs/dbraw/zinc/50/29/65/609502965.db2.gz JBEKPFRJACVVAS-VCHYOVAHSA-N -1 3 399.458 2.655 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c2c(n1)onc2C(C)C ZINC000826259784 607334486 /nfs/dbraw/zinc/33/44/86/607334486.db2.gz GCWUHNVGNLSDOX-UHFFFAOYSA-N -1 3 378.396 2.592 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2c(n1)onc2C(C)C ZINC000826259784 607334488 /nfs/dbraw/zinc/33/44/88/607334488.db2.gz GCWUHNVGNLSDOX-UHFFFAOYSA-N -1 3 378.396 2.592 20 50 GFGDHM O=C(CCc1ncc(-c2ccccc2)o1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409025 607344692 /nfs/dbraw/zinc/34/46/92/607344692.db2.gz FNDJJASGEVHPOT-UHFFFAOYSA-N -1 3 375.392 2.598 20 50 GFGDHM CC(C)c1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000824342680 607346274 /nfs/dbraw/zinc/34/62/74/607346274.db2.gz SCXWKJAMTFIPTI-UHFFFAOYSA-N -1 3 388.435 2.933 20 50 GFGDHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825083292 607351349 /nfs/dbraw/zinc/35/13/49/607351349.db2.gz ZJGBHXXOAAHNHR-LBPRGKRZSA-N -1 3 391.439 2.648 20 50 GFGDHM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1sccc1-c1nnn[n-]1 ZINC000826447783 607397091 /nfs/dbraw/zinc/39/70/91/607397091.db2.gz VYYHRXTVJROVST-UHFFFAOYSA-N -1 3 384.343 2.626 20 50 GFGDHM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1sccc1-c1nn[n-]n1 ZINC000826447783 607397093 /nfs/dbraw/zinc/39/70/93/607397093.db2.gz VYYHRXTVJROVST-UHFFFAOYSA-N -1 3 384.343 2.626 20 50 GFGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccc(C(F)(F)F)cc1 ZINC000824747255 607634881 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O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccnc1Nc1ccccc1F ZINC000826449015 607723773 /nfs/dbraw/zinc/72/37/73/607723773.db2.gz XVKVAALYYYEZBX-UHFFFAOYSA-N -1 3 390.382 2.901 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccnc1Nc1ccccc1F ZINC000826449015 607723774 /nfs/dbraw/zinc/72/37/74/607723774.db2.gz XVKVAALYYYEZBX-UHFFFAOYSA-N -1 3 390.382 2.901 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1(C(F)(F)F)CC1 ZINC000823280629 606127464 /nfs/dbraw/zinc/12/74/64/606127464.db2.gz FBLIXKFVRMVFOG-UHFFFAOYSA-N -1 3 380.252 2.671 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1(C(F)(F)F)CC1 ZINC000823280629 606127466 /nfs/dbraw/zinc/12/74/66/606127466.db2.gz FBLIXKFVRMVFOG-UHFFFAOYSA-N -1 3 380.252 2.671 20 50 GFGDHM Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826283643 607881988 /nfs/dbraw/zinc/88/19/88/607881988.db2.gz WTSARUMTZSHMJM-UHFFFAOYSA-N -1 3 378.436 2.828 20 50 GFGDHM Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826283643 607881989 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O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1C[C@H]2CCCc3cccc1c32 ZINC000826417598 608110615 /nfs/dbraw/zinc/11/06/15/608110615.db2.gz XEAFIKVGXXHXIC-OAHLLOKOSA-N -1 3 388.431 2.590 20 50 GFGDHM CC(C)(C)OC(=O)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824113763 608163983 /nfs/dbraw/zinc/16/39/83/608163983.db2.gz CJKNNURFFWZZMC-UHFFFAOYSA-N -1 3 380.408 2.579 20 50 GFGDHM N#CC(=Cc1c(Cl)nc2ccccn21)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379534 608215760 /nfs/dbraw/zinc/21/57/60/608215760.db2.gz UTHGFEAANMEVQD-UKTHLTGXSA-N -1 3 375.779 2.958 20 50 GFGDHM N#CC(=Cc1c(Cl)nc2ccccn21)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379534 608215761 /nfs/dbraw/zinc/21/57/61/608215761.db2.gz UTHGFEAANMEVQD-UKTHLTGXSA-N -1 3 375.779 2.958 20 50 GFGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OCC(F)F ZINC000826291118 608809559 /nfs/dbraw/zinc/80/95/59/608809559.db2.gz PZJIWMUZQCWSCU-UHFFFAOYSA-N -1 3 389.366 2.968 20 50 GFGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OCC(F)F ZINC000826291118 608809560 /nfs/dbraw/zinc/80/95/60/608809560.db2.gz PZJIWMUZQCWSCU-UHFFFAOYSA-N -1 3 389.366 2.968 20 50 GFGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NN=c1ccc2ccccc2[nH]1 ZINC000826420336 609263000 /nfs/dbraw/zinc/26/30/00/609263000.db2.gz ISKFLZDZXIIFPY-UHFFFAOYSA-N -1 3 377.433 2.650 20 50 GFGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NN=c1ccc2ccccc2[nH]1 ZINC000826420336 609263001 /nfs/dbraw/zinc/26/30/01/609263001.db2.gz ISKFLZDZXIIFPY-UHFFFAOYSA-N -1 3 377.433 2.650 20 50 GFGDHM Cc1occc1C(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826342221 609303000 /nfs/dbraw/zinc/30/30/00/609303000.db2.gz BFXPAOTXRUSYFN-OQLLNIDSSA-N -1 3 385.387 2.959 20 50 GFGDHM Cc1occc1C(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826342221 609303002 /nfs/dbraw/zinc/30/30/02/609303002.db2.gz BFXPAOTXRUSYFN-OQLLNIDSSA-N -1 3 385.387 2.959 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H](F)Cc1ccccc1 ZINC000826446572 609391760 /nfs/dbraw/zinc/39/17/60/609391760.db2.gz QNGQRMASFJVTPL-CQSZACIVSA-N -1 3 394.332 2.909 20 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/nfs/dbraw/zinc/35/18/44/607351844.db2.gz KEGLCMHQDMADQU-UHFFFAOYSA-N -1 3 398.386 2.683 20 50 GFGDHM O=C(CCCOc1ccc2c(c1)CCC2)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406098 607352926 /nfs/dbraw/zinc/35/29/26/607352926.db2.gz IAQAPLGWWQKMRN-UHFFFAOYSA-N -1 3 378.436 2.658 20 50 GFGDHM O=C(NNc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826447757 607358345 /nfs/dbraw/zinc/35/83/45/607358345.db2.gz USIULFVRKDXJAT-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826447757 607358346 /nfs/dbraw/zinc/35/83/46/607358346.db2.gz USIULFVRKDXJAT-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM Cc1cc(Br)ccc1NNC(=O)c1sccc1-c1nnn[n-]1 ZINC000826256511 607396535 /nfs/dbraw/zinc/39/65/35/607396535.db2.gz MUVQRGMAFYLABB-UHFFFAOYSA-N -1 3 379.243 2.756 20 50 GFGDHM Cc1cc(Br)ccc1NNC(=O)c1sccc1-c1nn[n-]n1 ZINC000826256511 607396536 /nfs/dbraw/zinc/39/65/36/607396536.db2.gz MUVQRGMAFYLABB-UHFFFAOYSA-N -1 3 379.243 2.756 20 50 GFGDHM Cc1cc(Br)ccc1NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826256746 607396632 /nfs/dbraw/zinc/39/66/32/607396632.db2.gz YQAJOXHAXSQYNQ-UHFFFAOYSA-N -1 3 387.241 2.623 20 50 GFGDHM Cc1cc(Br)ccc1NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826256746 607396633 /nfs/dbraw/zinc/39/66/33/607396633.db2.gz YQAJOXHAXSQYNQ-UHFFFAOYSA-N -1 3 387.241 2.623 20 50 GFGDHM Cc1nc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)oc1-c1ccccc1 ZINC000826324728 607713877 /nfs/dbraw/zinc/71/38/77/607713877.db2.gz COPGYGBKVBKRPJ-UHFFFAOYSA-N -1 3 389.419 2.906 20 50 GFGDHM Cc1nc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)oc1-c1ccccc1 ZINC000826324728 607713879 /nfs/dbraw/zinc/71/38/79/607713879.db2.gz COPGYGBKVBKRPJ-UHFFFAOYSA-N -1 3 389.419 2.906 20 50 GFGDHM CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cc1F ZINC000825711728 607776411 /nfs/dbraw/zinc/77/64/11/607776411.db2.gz FWCKPXQXNDSNEL-VGOFMYFVSA-N -1 3 379.399 2.761 20 50 GFGDHM CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cc1F ZINC000825711728 607776412 /nfs/dbraw/zinc/77/64/12/607776412.db2.gz FWCKPXQXNDSNEL-VGOFMYFVSA-N -1 3 379.399 2.761 20 50 GFGDHM CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824136028 607881559 /nfs/dbraw/zinc/88/15/59/607881559.db2.gz MGLKJWSQHCJZSP-UHFFFAOYSA-N -1 3 378.436 2.693 20 50 GFGDHM CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000824136028 607881560 /nfs/dbraw/zinc/88/15/60/607881560.db2.gz MGLKJWSQHCJZSP-UHFFFAOYSA-N -1 3 378.436 2.693 20 50 GFGDHM CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825654196 607915426 /nfs/dbraw/zinc/91/54/26/607915426.db2.gz RDLZIZSWZALUET-LCYFTJDESA-N -1 3 378.367 2.950 20 50 GFGDHM CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825654196 607915427 /nfs/dbraw/zinc/91/54/27/607915427.db2.gz RDLZIZSWZALUET-LCYFTJDESA-N -1 3 378.367 2.950 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc(F)cc2C)cc(-c2nnn[n-]2)n1C ZINC000826268562 608145745 /nfs/dbraw/zinc/14/57/45/608145745.db2.gz CEFZNJLMYDBPHU-VIZOYTHASA-N -1 3 380.383 2.612 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc(F)cc2C)cc(-c2nn[n-]n2)n1C ZINC000826268562 608145746 /nfs/dbraw/zinc/14/57/46/608145746.db2.gz CEFZNJLMYDBPHU-VIZOYTHASA-N -1 3 380.383 2.612 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2Cl)cc(-c2nnn[n-]2)n1C ZINC000826235827 608568811 /nfs/dbraw/zinc/56/88/11/608568811.db2.gz SAQSGOLSKZGRBL-KSSSLANASA-N -1 3 395.854 2.951 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2Cl)cc(-c2nn[n-]n2)n1C ZINC000826235827 608568813 /nfs/dbraw/zinc/56/88/13/608568813.db2.gz SAQSGOLSKZGRBL-KSSSLANASA-N -1 3 395.854 2.951 20 50 GFGDHM CC(C)n1ncc2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000824377475 608808168 /nfs/dbraw/zinc/80/81/68/608808168.db2.gz FWNUHJSEYFYSRN-UHFFFAOYSA-N -1 3 377.412 2.946 20 50 GFGDHM CC(C)n1ncc2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000824377475 608808170 /nfs/dbraw/zinc/80/81/70/608808170.db2.gz FWNUHJSEYFYSRN-UHFFFAOYSA-N -1 3 377.412 2.946 20 50 GFGDHM CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825252494 609161726 /nfs/dbraw/zinc/16/17/26/609161726.db2.gz INRSLXMQQLDVFT-CMPLNLGQSA-N -1 3 398.389 2.924 20 50 GFGDHM CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825252494 609161727 /nfs/dbraw/zinc/16/17/27/609161727.db2.gz INRSLXMQQLDVFT-CMPLNLGQSA-N -1 3 398.389 2.924 20 50 GFGDHM Cc1cc(C(=O)NNc2ccc(Cl)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260049 609165257 /nfs/dbraw/zinc/16/52/57/609165257.db2.gz SUBCFOVBZBSGNW-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1cc(C(=O)NNc2ccc(Cl)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260049 609165258 /nfs/dbraw/zinc/16/52/58/609165258.db2.gz SUBCFOVBZBSGNW-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)nn1-c1cc(C)cc(C)c1 ZINC000826263678 609259876 /nfs/dbraw/zinc/25/98/76/609259876.db2.gz MCGHLLMXQXOXOE-UHFFFAOYSA-N -1 3 388.435 2.735 20 50 GFGDHM CC(C)CCC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824243754 609315787 /nfs/dbraw/zinc/31/57/87/609315787.db2.gz NPWRXQDJCZNELA-UHFFFAOYSA-N -1 3 394.435 2.856 20 50 GFGDHM CC(C)CCC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824243754 609315789 /nfs/dbraw/zinc/31/57/89/609315789.db2.gz NPWRXQDJCZNELA-UHFFFAOYSA-N -1 3 394.435 2.856 20 50 GFGDHM O=C(CCc1ccccc1Br)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409111 607339452 /nfs/dbraw/zinc/33/94/52/607339452.db2.gz JCZNXPNLZPLVSZ-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM O=C(NNc1ccc(F)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000826447546 607339815 /nfs/dbraw/zinc/33/98/15/607339815.db2.gz KQPDWAFFWTZQLI-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1ccc(F)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000826447546 607339817 /nfs/dbraw/zinc/33/98/17/607339817.db2.gz KQPDWAFFWTZQLI-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1csc(Cc2ccccc2F)n1 ZINC000826447635 607345156 /nfs/dbraw/zinc/34/51/56/607345156.db2.gz OTTMGAAXOYOVSS-UHFFFAOYSA-N -1 3 395.423 2.810 20 50 GFGDHM Cc1[nH]c(=O)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1-c1ccccc1 ZINC000826232720 607350165 /nfs/dbraw/zinc/35/01/65/607350165.db2.gz FHHYOWJBPJXTTI-UHFFFAOYSA-N -1 3 387.403 2.700 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000826447272 607354790 /nfs/dbraw/zinc/35/47/90/607354790.db2.gz XOXLKJKYDYORJI-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1cc(Cl)ccc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826446081 607391909 /nfs/dbraw/zinc/39/19/09/607391909.db2.gz ZANMCUZWAQRCPP-UHFFFAOYSA-N -1 3 384.614 2.979 20 50 GFGDHM O=C(NNc1cc(Cl)ccc1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826446081 607391911 /nfs/dbraw/zinc/39/19/11/607391911.db2.gz ZANMCUZWAQRCPP-UHFFFAOYSA-N -1 3 384.614 2.979 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CC1(Cl)Cl ZINC000826446370 607395285 /nfs/dbraw/zinc/39/52/85/607395285.db2.gz JCCOTORZDRAYCA-MRVPVSSYSA-N -1 3 381.145 2.522 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CC1(Cl)Cl ZINC000826446370 607395287 /nfs/dbraw/zinc/39/52/87/607395287.db2.gz JCCOTORZDRAYCA-MRVPVSSYSA-N -1 3 381.145 2.522 20 50 GFGDHM N#Cc1ccccc1C=CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826387005 607396774 /nfs/dbraw/zinc/39/67/74/607396774.db2.gz BQZWARHSFCWOSY-YVMONPNESA-N -1 3 399.336 2.914 20 50 GFGDHM N#Cc1ccccc1C=CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826387005 607396776 /nfs/dbraw/zinc/39/67/76/607396776.db2.gz BQZWARHSFCWOSY-YVMONPNESA-N -1 3 399.336 2.914 20 50 GFGDHM O=C(C=Cc1cncc(F)c1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826402834 607397441 /nfs/dbraw/zinc/39/74/41/607397441.db2.gz CYLVHELSWYFYRE-DAFODLJHSA-N -1 3 393.304 2.576 20 50 GFGDHM O=C(C=Cc1cncc(F)c1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826402834 607397442 /nfs/dbraw/zinc/39/74/42/607397442.db2.gz CYLVHELSWYFYRE-DAFODLJHSA-N -1 3 393.304 2.576 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Oc2nccs2)c1 ZINC000826448680 607716427 /nfs/dbraw/zinc/71/64/27/607716427.db2.gz GRVXPQLGFDLRRP-UHFFFAOYSA-N -1 3 379.405 2.872 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Oc2nccs2)c1 ZINC000826448680 607716429 /nfs/dbraw/zinc/71/64/29/607716429.db2.gz GRVXPQLGFDLRRP-UHFFFAOYSA-N -1 3 379.405 2.872 20 50 GFGDHM O=C(CCc1ncc(-c2ccccc2)o1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409320 607719426 /nfs/dbraw/zinc/71/94/26/607719426.db2.gz RIQRLCRAZXNESS-UHFFFAOYSA-N -1 3 375.392 2.598 20 50 GFGDHM O=C(CCc1ncc(-c2ccccc2)o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409320 607719429 /nfs/dbraw/zinc/71/94/29/607719429.db2.gz RIQRLCRAZXNESS-UHFFFAOYSA-N -1 3 375.392 2.598 20 50 GFGDHM O=C(CCc1ccccc1OC(F)(F)F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409385 607726400 /nfs/dbraw/zinc/72/64/00/607726400.db2.gz WIDZANKONSKLOA-UHFFFAOYSA-N -1 3 392.341 2.841 20 50 GFGDHM O=C(CCc1ccccc1OC(F)(F)F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409385 607726402 /nfs/dbraw/zinc/72/64/02/607726402.db2.gz WIDZANKONSKLOA-UHFFFAOYSA-N -1 3 392.341 2.841 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccc2Cl)on1 ZINC000826448080 607731686 /nfs/dbraw/zinc/73/16/86/607731686.db2.gz HMCZETYIUCMHNI-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccc2Cl)on1 ZINC000826448080 607731688 /nfs/dbraw/zinc/73/16/88/607731688.db2.gz HMCZETYIUCMHNI-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NN=Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444806 607888054 /nfs/dbraw/zinc/88/80/54/607888054.db2.gz VDXQIMDTDJVCNA-UHFFFAOYSA-N -1 3 392.810 2.674 20 50 GFGDHM O=C(NN=Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444806 607888055 /nfs/dbraw/zinc/88/80/55/607888055.db2.gz VDXQIMDTDJVCNA-UHFFFAOYSA-N -1 3 392.810 2.674 20 50 GFGDHM N#CC=C(c1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826380462 608066887 /nfs/dbraw/zinc/06/68/87/608066887.db2.gz BHMQZHZVVSQQGN-UUVGHFPGSA-N -1 3 376.395 2.944 20 50 GFGDHM N#CC=C(c1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826380462 608066888 /nfs/dbraw/zinc/06/68/88/608066888.db2.gz BHMQZHZVVSQQGN-UUVGHFPGSA-N -1 3 376.395 2.944 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccnc(OC2CCCCC2)c1 ZINC000826447746 608277894 /nfs/dbraw/zinc/27/78/94/608277894.db2.gz UMHYJJYOMVBVFM-UHFFFAOYSA-N -1 3 379.424 2.730 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000826190671 608346781 /nfs/dbraw/zinc/34/67/81/608346781.db2.gz JBCXWADGVPFKTN-CXUHLZMHSA-N -1 3 391.387 2.534 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000826190671 608346782 /nfs/dbraw/zinc/34/67/82/608346782.db2.gz JBCXWADGVPFKTN-CXUHLZMHSA-N -1 3 391.387 2.534 20 50 GFGDHM N#CC1=CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000826380848 608387542 /nfs/dbraw/zinc/38/75/42/608387542.db2.gz NZGUFTRQTLIHEO-UHFFFAOYSA-N -1 3 386.415 2.742 20 50 GFGDHM N#CC1=CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000826380848 608387544 /nfs/dbraw/zinc/38/75/44/608387544.db2.gz NZGUFTRQTLIHEO-UHFFFAOYSA-N -1 3 386.415 2.742 20 50 GFGDHM CCC[C@@H]1C[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825252501 609161518 /nfs/dbraw/zinc/16/15/18/609161518.db2.gz INRSLXMQQLDVFT-ZYHUDNBSSA-N -1 3 398.389 2.924 20 50 GFGDHM CCC[C@@H]1C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825252501 609161520 /nfs/dbraw/zinc/16/15/20/609161520.db2.gz INRSLXMQQLDVFT-ZYHUDNBSSA-N -1 3 398.389 2.924 20 50 GFGDHM O=C(NNc1ccccn1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000826449235 609263657 /nfs/dbraw/zinc/26/36/57/609263657.db2.gz IRRSMUSMUYTCFN-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1ccccn1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000826449235 609263660 /nfs/dbraw/zinc/26/36/60/609263660.db2.gz IRRSMUSMUYTCFN-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM CSc1ccccc1COC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826231434 609292540 /nfs/dbraw/zinc/29/25/40/609292540.db2.gz LFPCLLCHLIZOEO-OVCLIPMQSA-N -1 3 394.460 2.886 20 50 GFGDHM CSc1ccccc1COC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826231434 609292541 /nfs/dbraw/zinc/29/25/41/609292541.db2.gz LFPCLLCHLIZOEO-OVCLIPMQSA-N -1 3 394.460 2.886 20 50 GFGDHM COc1ccc2[nH]c(=NNC(=O)Nc3cccc(-c4nnn[n-]4)c3)c(C)cc2c1 ZINC000826213670 609337322 /nfs/dbraw/zinc/33/73/22/609337322.db2.gz GLTUEWFEZSISRO-UHFFFAOYSA-N -1 3 390.407 2.881 20 50 GFGDHM COc1ccc2[nH]c(=NNC(=O)Nc3cccc(-c4nn[n-]n4)c3)c(C)cc2c1 ZINC000826213670 609337323 /nfs/dbraw/zinc/33/73/23/609337323.db2.gz GLTUEWFEZSISRO-UHFFFAOYSA-N -1 3 390.407 2.881 20 50 GFGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1CC(c2ccc(Cl)cc2)C1 ZINC000826417176 609467876 /nfs/dbraw/zinc/46/78/76/609467876.db2.gz GZOFOOJWVAWZGC-UHFFFAOYSA-N -1 3 396.838 2.949 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)c(F)c1 ZINC000826448593 607336583 /nfs/dbraw/zinc/33/65/83/607336583.db2.gz BRGFHYLPFSCTOG-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)c(F)c1 ZINC000826448593 607336584 /nfs/dbraw/zinc/33/65/84/607336584.db2.gz BRGFHYLPFSCTOG-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1ccccc1F)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826449243 607338738 /nfs/dbraw/zinc/33/87/38/607338738.db2.gz IZSXKRFOFMPPME-UHFFFAOYSA-N -1 3 394.366 2.935 20 50 GFGDHM O=C(NNc1ccccc1F)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826449243 607338740 /nfs/dbraw/zinc/33/87/40/607338740.db2.gz IZSXKRFOFMPPME-UHFFFAOYSA-N -1 3 394.366 2.935 20 50 GFGDHM COc1ccc2c(c1)CCC[C@H]2CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826212334 607345559 /nfs/dbraw/zinc/34/55/59/607345559.db2.gz NJXPMHQMXKIMSW-HNNXBMFYSA-N -1 3 378.436 2.829 20 50 GFGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(Br)s1 ZINC000826259872 607346677 /nfs/dbraw/zinc/34/66/77/607346677.db2.gz KKRSMBFMOFOEDY-UHFFFAOYSA-N -1 3 379.243 2.756 20 50 GFGDHM Cc1nc(Cc2ccccc2)sc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826326299 607349376 /nfs/dbraw/zinc/34/93/76/607349376.db2.gz JSEJCXHKICLVRA-UHFFFAOYSA-N -1 3 391.460 2.979 20 50 GFGDHM O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000826447159 607463880 /nfs/dbraw/zinc/46/38/80/607463880.db2.gz QMUHPZINMPEMJY-UHFFFAOYSA-N -1 3 386.415 2.920 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1cccc(Br)c1 ZINC000826401764 607712255 /nfs/dbraw/zinc/71/22/55/607712255.db2.gz GESDLWIWLBJWMB-CMDGGOBGSA-N -1 3 385.225 2.786 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1cccc(Br)c1 ZINC000826401764 607712257 /nfs/dbraw/zinc/71/22/57/607712257.db2.gz GESDLWIWLBJWMB-CMDGGOBGSA-N -1 3 385.225 2.786 20 50 GFGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1Cl ZINC000826234907 607713650 /nfs/dbraw/zinc/71/36/50/607713650.db2.gz TUVNMWFXLMABSP-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1Cl ZINC000826234907 607713652 /nfs/dbraw/zinc/71/36/52/607713652.db2.gz TUVNMWFXLMABSP-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1ccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826285650 607808010 /nfs/dbraw/zinc/80/80/10/607808010.db2.gz FZMYQPSRUDZMOI-UHFFFAOYSA-N -1 3 385.225 2.702 20 50 GFGDHM Cc1ccc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826285650 607808011 /nfs/dbraw/zinc/80/80/11/607808011.db2.gz FZMYQPSRUDZMOI-UHFFFAOYSA-N -1 3 385.225 2.702 20 50 GFGDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NNc1cc(C(F)(F)F)ccc1F ZINC000826421825 607824773 /nfs/dbraw/zinc/82/47/73/607824773.db2.gz AXMABPHJAZOVSY-UHFFFAOYSA-N -1 3 380.305 2.710 20 50 GFGDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NNc1cc(C(F)(F)F)ccc1F ZINC000826421825 607824774 /nfs/dbraw/zinc/82/47/74/607824774.db2.gz AXMABPHJAZOVSY-UHFFFAOYSA-N -1 3 380.305 2.710 20 50 GFGDHM COc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826209909 607915747 /nfs/dbraw/zinc/91/57/47/607915747.db2.gz WDGBQCZSHMEYCT-KPKJPENVSA-N -1 3 394.366 2.569 20 50 GFGDHM COc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000826209909 607915748 /nfs/dbraw/zinc/91/57/48/607915748.db2.gz WDGBQCZSHMEYCT-KPKJPENVSA-N -1 3 394.366 2.569 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1OCC(F)(F)F ZINC000826447999 608805294 /nfs/dbraw/zinc/80/52/94/608805294.db2.gz DIPOKAJDKCCVJA-UHFFFAOYSA-N -1 3 393.329 2.956 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1OCC(F)(F)F ZINC000826447999 608805297 /nfs/dbraw/zinc/80/52/97/608805297.db2.gz DIPOKAJDKCCVJA-UHFFFAOYSA-N -1 3 393.329 2.956 20 50 GFGDHM O=C(NNc1ccccn1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826449387 609263454 /nfs/dbraw/zinc/26/34/54/609263454.db2.gz PLXNMYNUFJYNOP-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1ccccn1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826449387 609263456 /nfs/dbraw/zinc/26/34/56/609263456.db2.gz PLXNMYNUFJYNOP-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM COc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc(OC)c1C(C)C ZINC000826177580 609297117 /nfs/dbraw/zinc/29/71/17/609297117.db2.gz NMEITDWYBSRQAF-UHFFFAOYSA-N -1 3 382.424 2.764 20 50 GFGDHM COc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc(OC)c1C(C)C ZINC000826177580 609297119 /nfs/dbraw/zinc/29/71/19/609297119.db2.gz NMEITDWYBSRQAF-UHFFFAOYSA-N -1 3 382.424 2.764 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCc2cccc(C)c2)cc(-c2nnn[n-]2)n1C ZINC000826297316 609341773 /nfs/dbraw/zinc/34/17/73/609341773.db2.gz BMRQJGHVQJHCNP-WQRHYEAKSA-N -1 3 390.447 2.905 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCc2cccc(C)c2)cc(-c2nn[n-]n2)n1C ZINC000826297316 609341775 /nfs/dbraw/zinc/34/17/75/609341775.db2.gz BMRQJGHVQJHCNP-WQRHYEAKSA-N -1 3 390.447 2.905 20 50 GFGDHM O=C(CCc1ccc(Br)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408450 607344638 /nfs/dbraw/zinc/34/46/38/607344638.db2.gz GUOHNHPNDOREJW-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(Br)cc1F ZINC000826446657 607348606 /nfs/dbraw/zinc/34/86/06/607348606.db2.gz UAMVUZRURDWXLO-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM O=C(NNc1ccccc1Cl)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449330 607382487 /nfs/dbraw/zinc/38/24/87/607382487.db2.gz MTGSBTDJOZQIPI-INIZCTEOSA-N -1 3 383.843 2.632 20 50 GFGDHM O=C([O-])C[C@@H]1CSCCN1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000833221650 601022667 /nfs/dbraw/zinc/02/26/67/601022667.db2.gz MHWHQTCXFIPMQR-QGZVFWFLSA-N -1 3 389.457 2.893 20 50 GFGDHM COc1ccc(COC(=O)C(C#N)=Cc2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000826204236 607595453 /nfs/dbraw/zinc/59/54/53/607595453.db2.gz CSGSMQHJKYFACW-SXGWCWSVSA-N -1 3 375.388 2.834 20 50 GFGDHM COc1ccc(COC(=O)C(C#N)=Cc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000826204236 607595456 /nfs/dbraw/zinc/59/54/56/607595456.db2.gz CSGSMQHJKYFACW-SXGWCWSVSA-N -1 3 375.388 2.834 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1nc(-c2ccccc2)ns1 ZINC000826446737 607673100 /nfs/dbraw/zinc/67/31/00/607673100.db2.gz WLHUVXHTZNFOCW-UHFFFAOYSA-N -1 3 379.409 2.534 20 50 GFGDHM O=C(CSc1nccc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421501 607731933 /nfs/dbraw/zinc/73/19/33/607731933.db2.gz LAEZIWRMDPZTAT-UHFFFAOYSA-N -1 3 377.433 2.650 20 50 GFGDHM O=C(CSc1nccc2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421501 607731934 /nfs/dbraw/zinc/73/19/34/607731934.db2.gz LAEZIWRMDPZTAT-UHFFFAOYSA-N -1 3 377.433 2.650 20 50 GFGDHM COc1ccc(-c2ncc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000826181909 607732809 /nfs/dbraw/zinc/73/28/09/607732809.db2.gz RXKCBUZDZNQEGJ-UHFFFAOYSA-N -1 3 393.432 2.756 20 50 GFGDHM COc1ccc(-c2ncc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000826181909 607732810 /nfs/dbraw/zinc/73/28/10/607732810.db2.gz RXKCBUZDZNQEGJ-UHFFFAOYSA-N -1 3 393.432 2.756 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(F)c1F ZINC000823280840 606127210 /nfs/dbraw/zinc/12/72/10/606127210.db2.gz HBVAIOAYIICAEU-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1F ZINC000823280840 606127213 /nfs/dbraw/zinc/12/72/13/606127213.db2.gz HBVAIOAYIICAEU-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM COc1cccc(CC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000826215033 607783162 /nfs/dbraw/zinc/78/31/62/607783162.db2.gz DRHPMIBQKXIODV-UHFFFAOYSA-N -1 3 376.420 2.614 20 50 GFGDHM COc1cccc(CC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000826215033 607783163 /nfs/dbraw/zinc/78/31/63/607783163.db2.gz DRHPMIBQKXIODV-UHFFFAOYSA-N -1 3 376.420 2.614 20 50 GFGDHM O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826424017 607885692 /nfs/dbraw/zinc/88/56/92/607885692.db2.gz RTTIALQZEQNVRK-UHFFFAOYSA-N -1 3 389.444 2.683 20 50 GFGDHM O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826424017 607885693 /nfs/dbraw/zinc/88/56/93/607885693.db2.gz RTTIALQZEQNVRK-UHFFFAOYSA-N -1 3 389.444 2.683 20 50 GFGDHM Cc1ccc(-c2cc(C(=O)NN=Cc3ccccc3-c3nnn[n-]3)[nH]n2)cc1C ZINC000826272968 607889507 /nfs/dbraw/zinc/88/95/07/607889507.db2.gz JLCDLTULABYNCQ-UHFFFAOYSA-N -1 3 386.419 2.638 20 50 GFGDHM Cc1ccc(-c2cc(C(=O)NN=Cc3ccccc3-c3nn[n-]n3)[nH]n2)cc1C ZINC000826272968 607889508 /nfs/dbraw/zinc/88/95/08/607889508.db2.gz JLCDLTULABYNCQ-UHFFFAOYSA-N -1 3 386.419 2.638 20 50 GFGDHM N#CC=C(c1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826380464 608066911 /nfs/dbraw/zinc/06/69/11/608066911.db2.gz BHMQZHZVVSQQGN-YSLLPBIDSA-N -1 3 376.395 2.944 20 50 GFGDHM N#CC=C(c1ccc(F)cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826380464 608066912 /nfs/dbraw/zinc/06/69/12/608066912.db2.gz BHMQZHZVVSQQGN-YSLLPBIDSA-N -1 3 376.395 2.944 20 50 GFGDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825675042 608199940 /nfs/dbraw/zinc/19/99/40/608199940.db2.gz VGWUQGURTAIUCY-UHFFFAOYSA-N -1 3 385.409 2.644 20 50 GFGDHM COc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826178048 608214826 /nfs/dbraw/zinc/21/48/26/608214826.db2.gz HUNMSIKGDKFFOO-CXUHLZMHSA-N -1 3 375.388 2.982 20 50 GFGDHM COc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826178048 608214828 /nfs/dbraw/zinc/21/48/28/608214828.db2.gz HUNMSIKGDKFFOO-CXUHLZMHSA-N -1 3 375.388 2.982 20 50 GFGDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C#N)=Cc1ccc(C)cc1 ZINC000826170525 608344860 /nfs/dbraw/zinc/34/48/60/608344860.db2.gz DDEGNDJGOZTOGG-MFOYZWKCSA-N -1 3 375.388 2.834 20 50 GFGDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C#N)=Cc1ccc(C)cc1 ZINC000826170525 608344862 /nfs/dbraw/zinc/34/48/62/608344862.db2.gz DDEGNDJGOZTOGG-MFOYZWKCSA-N -1 3 375.388 2.834 20 50 GFGDHM C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000824469617 608802976 /nfs/dbraw/zinc/80/29/76/608802976.db2.gz AUZOGOABSBYIIE-KOZDUTSQSA-N -1 3 390.285 2.998 20 50 GFGDHM C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000824469617 608802978 /nfs/dbraw/zinc/80/29/78/608802978.db2.gz AUZOGOABSBYIIE-KOZDUTSQSA-N -1 3 390.285 2.998 20 50 GFGDHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826466900 608810877 /nfs/dbraw/zinc/81/08/77/608810877.db2.gz YDZBFVSOPZKJJP-OWRWGESLSA-N -1 3 377.242 2.864 20 50 GFGDHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826466900 608810879 /nfs/dbraw/zinc/81/08/79/608810879.db2.gz YDZBFVSOPZKJJP-OWRWGESLSA-N -1 3 377.242 2.864 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Br)c(F)c1 ZINC000826448527 608815967 /nfs/dbraw/zinc/81/59/67/608815967.db2.gz YWJXWFHLIBINLI-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Br)c(F)c1 ZINC000826448527 608815968 /nfs/dbraw/zinc/81/59/68/608815968.db2.gz YWJXWFHLIBINLI-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM CC(C)Cn1ncc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000824284822 608816115 /nfs/dbraw/zinc/81/61/15/608816115.db2.gz NTLKZUWYYDLXHO-UHFFFAOYSA-N -1 3 391.386 2.805 20 50 GFGDHM CC(C)Cn1ncc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000824284822 608816117 /nfs/dbraw/zinc/81/61/17/608816117.db2.gz NTLKZUWYYDLXHO-UHFFFAOYSA-N -1 3 391.386 2.805 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948783 609157171 /nfs/dbraw/zinc/15/71/71/609157171.db2.gz XUSYFBFRKUCRRS-UHFFFAOYSA-N -1 3 390.382 2.550 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948783 609157172 /nfs/dbraw/zinc/15/71/72/609157172.db2.gz XUSYFBFRKUCRRS-UHFFFAOYSA-N -1 3 390.382 2.550 20 50 GFGDHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CC=C(C#N)CC1 ZINC000824052706 609474187 /nfs/dbraw/zinc/47/41/87/609474187.db2.gz QDVJOEBYYXLOJM-GFCCVEGCSA-N -1 3 397.508 2.680 20 50 GFGDHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1CC=C(C#N)CC1 ZINC000824052706 609474189 /nfs/dbraw/zinc/47/41/89/609474189.db2.gz QDVJOEBYYXLOJM-GFCCVEGCSA-N -1 3 397.508 2.680 20 50 GFGDHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824113969 607335153 /nfs/dbraw/zinc/33/51/53/607335153.db2.gz HHQCXMSUJNTVTA-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824113969 607335155 /nfs/dbraw/zinc/33/51/55/607335155.db2.gz HHQCXMSUJNTVTA-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Oc2nccs2)c1 ZINC000826446996 607342718 /nfs/dbraw/zinc/34/27/18/607342718.db2.gz ISVHBIGXULVJFP-UHFFFAOYSA-N -1 3 379.405 2.872 20 50 GFGDHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825083290 607351247 /nfs/dbraw/zinc/35/12/47/607351247.db2.gz ZJGBHXXOAAHNHR-GFCCVEGCSA-N -1 3 391.439 2.648 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cccc2Br)[nH]1 ZINC000826447121 607354677 /nfs/dbraw/zinc/35/46/77/607354677.db2.gz OHARIYRMPDRRNQ-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM Cc1cc(C)cc(NNC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826264620 607381704 /nfs/dbraw/zinc/38/17/04/607381704.db2.gz UMCISGRQPIJZAA-UHFFFAOYSA-N -1 3 393.451 2.736 20 50 GFGDHM Cc1cc(C)cc(NNC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826264620 607381706 /nfs/dbraw/zinc/38/17/06/607381706.db2.gz UMCISGRQPIJZAA-UHFFFAOYSA-N -1 3 393.451 2.736 20 50 GFGDHM Cc1ncc(C=CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000826329924 607394786 /nfs/dbraw/zinc/39/47/86/607394786.db2.gz YDPSWNICLKAHGZ-HYXAFXHYSA-N -1 3 395.370 2.807 20 50 GFGDHM Cc1ncc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000826329924 607394788 /nfs/dbraw/zinc/39/47/88/607394788.db2.gz YDPSWNICLKAHGZ-HYXAFXHYSA-N -1 3 395.370 2.807 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000826446728 607395275 /nfs/dbraw/zinc/39/52/75/607395275.db2.gz WBHYGDFIFJWWMR-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000826446728 607395276 /nfs/dbraw/zinc/39/52/76/607395276.db2.gz WBHYGDFIFJWWMR-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(C2CC2)on1 ZINC000826446781 607397429 /nfs/dbraw/zinc/39/74/29/607397429.db2.gz YFURKTPMANCAFJ-UHFFFAOYSA-N -1 3 379.302 2.508 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(C2CC2)on1 ZINC000826446781 607397430 /nfs/dbraw/zinc/39/74/30/607397430.db2.gz YFURKTPMANCAFJ-UHFFFAOYSA-N -1 3 379.302 2.508 20 50 GFGDHM Cc1cc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)n(Cc2ccccc2)n1 ZINC000826270394 607672587 /nfs/dbraw/zinc/67/25/87/607672587.db2.gz YMCJVHSXYDUGGE-UHFFFAOYSA-N -1 3 389.423 2.569 20 50 GFGDHM CCOc1c(Cl)cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000825605254 607713639 /nfs/dbraw/zinc/71/36/39/607713639.db2.gz SKZPWGLPFIMQLN-UHFFFAOYSA-N -1 3 388.815 2.684 20 50 GFGDHM CCOc1c(Cl)cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000825605254 607713640 /nfs/dbraw/zinc/71/36/40/607713640.db2.gz SKZPWGLPFIMQLN-UHFFFAOYSA-N -1 3 388.815 2.684 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(OCc2ccncc2)cc1 ZINC000826448654 607716241 /nfs/dbraw/zinc/71/62/41/607716241.db2.gz FINARYOYSMBLRA-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(OCc2ccncc2)cc1 ZINC000826448654 607716243 /nfs/dbraw/zinc/71/62/43/607716243.db2.gz FINARYOYSMBLRA-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM CC(C)(C)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000824135212 607725169 /nfs/dbraw/zinc/72/51/69/607725169.db2.gz CAGNFZASXMXGIT-UHFFFAOYSA-N -1 3 381.396 2.829 20 50 GFGDHM CC(C)(C)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000824135212 607725171 /nfs/dbraw/zinc/72/51/71/607725171.db2.gz CAGNFZASXMXGIT-UHFFFAOYSA-N -1 3 381.396 2.829 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000826448987 607728917 /nfs/dbraw/zinc/72/89/17/607728917.db2.gz WJHAPTBHEZGGLO-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000826448987 607728919 /nfs/dbraw/zinc/72/89/19/607728919.db2.gz WJHAPTBHEZGGLO-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826448829 607732724 /nfs/dbraw/zinc/73/27/24/607732724.db2.gz NRUOHOXTKCCIJI-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826448829 607732725 /nfs/dbraw/zinc/73/27/25/607732725.db2.gz NRUOHOXTKCCIJI-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824738836 607882599 /nfs/dbraw/zinc/88/25/99/607882599.db2.gz RSOGRJRFORYLPA-CQSZACIVSA-N -1 3 386.415 2.938 20 50 GFGDHM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824738836 607882600 /nfs/dbraw/zinc/88/26/00/607882600.db2.gz RSOGRJRFORYLPA-CQSZACIVSA-N -1 3 386.415 2.938 20 50 GFGDHM CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824280832 608057318 /nfs/dbraw/zinc/05/73/18/608057318.db2.gz VVQFQYGHUKEVII-AWEZNQCLSA-N -1 3 392.463 2.630 20 50 GFGDHM CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280832 608057319 /nfs/dbraw/zinc/05/73/19/608057319.db2.gz VVQFQYGHUKEVII-AWEZNQCLSA-N -1 3 392.463 2.630 20 50 GFGDHM O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826403858 608277507 /nfs/dbraw/zinc/27/75/07/608277507.db2.gz GEIKOOSTOJVIDY-CQSZACIVSA-N -1 3 393.234 2.740 20 50 GFGDHM O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826403858 608277508 /nfs/dbraw/zinc/27/75/08/608277508.db2.gz GEIKOOSTOJVIDY-CQSZACIVSA-N -1 3 393.234 2.740 20 50 GFGDHM Cc1ccccc1-n1nccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826306252 608498905 /nfs/dbraw/zinc/49/89/05/608498905.db2.gz UNQXELDCQXYFBO-UHFFFAOYSA-N -1 3 375.396 2.509 20 50 GFGDHM Cc1ccccc1-n1nccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826306252 608498908 /nfs/dbraw/zinc/49/89/08/608498908.db2.gz UNQXELDCQXYFBO-UHFFFAOYSA-N -1 3 375.396 2.509 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(N2CCCCC2=O)c1 ZINC000826448049 608805786 /nfs/dbraw/zinc/80/57/86/608805786.db2.gz GABLOTQXTORRDC-UHFFFAOYSA-N -1 3 392.423 2.532 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(N2CCCCC2=O)c1 ZINC000826448049 608805789 /nfs/dbraw/zinc/80/57/89/608805789.db2.gz GABLOTQXTORRDC-UHFFFAOYSA-N -1 3 392.423 2.532 20 50 GFGDHM CC(=O)Nc1c(C)ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000823994455 608806840 /nfs/dbraw/zinc/80/68/40/608806840.db2.gz IGFPCRVMHNZHEY-UHFFFAOYSA-N -1 3 380.412 2.591 20 50 GFGDHM CC(=O)Nc1c(C)ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000823994455 608806842 /nfs/dbraw/zinc/80/68/42/608806842.db2.gz IGFPCRVMHNZHEY-UHFFFAOYSA-N -1 3 380.412 2.591 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)c(Br)c1 ZINC000826448456 608815865 /nfs/dbraw/zinc/81/58/65/608815865.db2.gz WRXNBYJZFWZSAM-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)c(Br)c1 ZINC000826448456 608815867 /nfs/dbraw/zinc/81/58/67/608815867.db2.gz WRXNBYJZFWZSAM-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000826379185 608877386 /nfs/dbraw/zinc/87/73/86/608877386.db2.gz LBZMLMGXEJCSFC-QPEQYQDCSA-N -1 3 389.799 2.998 20 50 GFGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000826379185 608877389 /nfs/dbraw/zinc/87/73/89/608877389.db2.gz LBZMLMGXEJCSFC-QPEQYQDCSA-N -1 3 389.799 2.998 20 50 GFGDHM CC(=NNC(=O)CNc1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948807 609157357 /nfs/dbraw/zinc/15/73/57/609157357.db2.gz YWQGKHCUPIQGCQ-UHFFFAOYSA-N -1 3 381.415 2.575 20 50 GFGDHM CC(=NNC(=O)CNc1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948807 609157359 /nfs/dbraw/zinc/15/73/59/609157359.db2.gz YWQGKHCUPIQGCQ-UHFFFAOYSA-N -1 3 381.415 2.575 20 50 GFGDHM CC[C@@H]1C[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825181672 609160748 /nfs/dbraw/zinc/16/07/48/609160748.db2.gz FORJBNRGHMJOGH-GXSJLCMTSA-N -1 3 384.362 2.534 20 50 GFGDHM CC[C@@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825181672 609160750 /nfs/dbraw/zinc/16/07/50/609160750.db2.gz FORJBNRGHMJOGH-GXSJLCMTSA-N -1 3 384.362 2.534 20 50 GFGDHM N#CC1=CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000826380938 609165432 /nfs/dbraw/zinc/16/54/32/609165432.db2.gz QZXVWEWWQQAKOB-UHFFFAOYSA-N -1 3 386.415 2.742 20 50 GFGDHM N#CC1=CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000826380938 609165433 /nfs/dbraw/zinc/16/54/33/609165433.db2.gz QZXVWEWWQQAKOB-UHFFFAOYSA-N -1 3 386.415 2.742 20 50 GFGDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NNc1cc(Cl)ccn1 ZINC000826406039 609399472 /nfs/dbraw/zinc/39/94/72/609399472.db2.gz FKVFGRYEMKGRHV-UHFFFAOYSA-N -1 3 387.831 2.608 20 50 GFGDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NNc1cc(Cl)ccn1 ZINC000826406039 609399475 /nfs/dbraw/zinc/39/94/75/609399475.db2.gz FKVFGRYEMKGRHV-UHFFFAOYSA-N -1 3 387.831 2.608 20 50 GFGDHM COc1ccccc1-c1nc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826217748 607334230 /nfs/dbraw/zinc/33/42/30/607334230.db2.gz AJQQQSWRPHLGDN-UHFFFAOYSA-N -1 3 393.432 2.756 20 50 GFGDHM COc1ccccc1-c1nc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826217748 607334232 /nfs/dbraw/zinc/33/42/32/607334232.db2.gz AJQQQSWRPHLGDN-UHFFFAOYSA-N -1 3 393.432 2.756 20 50 GFGDHM CCCc1ccc(C(=O)CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825348683 607335553 /nfs/dbraw/zinc/33/55/53/607335553.db2.gz WEGHDEHSRNFQQB-UHFFFAOYSA-N -1 3 378.436 2.925 20 50 GFGDHM CCCc1ccc(C(=O)CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825348683 607335555 /nfs/dbraw/zinc/33/55/55/607335555.db2.gz WEGHDEHSRNFQQB-UHFFFAOYSA-N -1 3 378.436 2.925 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000826447346 607346195 /nfs/dbraw/zinc/34/61/95/607346195.db2.gz BAYWQXKTOZLBMC-UHFFFAOYSA-N -1 3 395.423 2.810 20 50 GFGDHM O=C(Cc1csc(-c2ccccc2)n1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423828 607344659 /nfs/dbraw/zinc/34/46/59/607344659.db2.gz IOQXZCJOZTXRJO-UHFFFAOYSA-N -1 3 377.433 2.676 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc(Br)cc2)CC1 ZINC000826446261 607347180 /nfs/dbraw/zinc/34/71/80/607347180.db2.gz FSKWBCZTOILGOL-UHFFFAOYSA-N -1 3 399.252 2.804 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000826446526 607349707 /nfs/dbraw/zinc/34/97/07/607349707.db2.gz OWDKOQDJQSUNLL-GJZGRUSLSA-N -1 3 399.252 2.876 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)c(F)c1 ZINC000826447243 607355735 /nfs/dbraw/zinc/35/57/35/607355735.db2.gz WDUFLBUCTRQMNN-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826447462 607636162 /nfs/dbraw/zinc/63/61/62/607636162.db2.gz GQBWOYMKZSPMJQ-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826447462 607636164 /nfs/dbraw/zinc/63/61/64/607636164.db2.gz GQBWOYMKZSPMJQ-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(CCc1ccccc1Br)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409018 607712428 /nfs/dbraw/zinc/71/24/28/607712428.db2.gz FIAHAGPQBCZANW-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM O=C(CCc1ccccc1Br)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409018 607712431 /nfs/dbraw/zinc/71/24/31/607712431.db2.gz FIAHAGPQBCZANW-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM CCCOc1ccc(C(=O)CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825339224 607715071 /nfs/dbraw/zinc/71/50/71/607715071.db2.gz SBXVFOLNKXKZHM-UHFFFAOYSA-N -1 3 394.435 2.762 20 50 GFGDHM CCCOc1ccc(C(=O)CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825339224 607715073 /nfs/dbraw/zinc/71/50/73/607715073.db2.gz SBXVFOLNKXKZHM-UHFFFAOYSA-N -1 3 394.435 2.762 20 50 GFGDHM O=C(CSc1ccc(C(F)(F)F)cn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421059 607715732 /nfs/dbraw/zinc/71/57/32/607715732.db2.gz PVCFJKGZGJZDKS-UHFFFAOYSA-N -1 3 395.370 2.516 20 50 GFGDHM O=C(CSc1ccc(C(F)(F)F)cn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421059 607715733 /nfs/dbraw/zinc/71/57/33/607715733.db2.gz PVCFJKGZGJZDKS-UHFFFAOYSA-N -1 3 395.370 2.516 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)CC(C)C ZINC000826259796 607717738 /nfs/dbraw/zinc/71/77/38/607717738.db2.gz GTVYAPLOFCRSKQ-UHFFFAOYSA-N -1 3 393.451 2.917 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)CC(C)C ZINC000826259796 607717740 /nfs/dbraw/zinc/71/77/40/607717740.db2.gz GTVYAPLOFCRSKQ-UHFFFAOYSA-N -1 3 393.451 2.917 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000826447901 607717779 /nfs/dbraw/zinc/71/77/79/607717779.db2.gz AQQZOWBIBIBHDQ-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000826447901 607717781 /nfs/dbraw/zinc/71/77/81/607717781.db2.gz AQQZOWBIBIBHDQ-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(Cl)ccn1 ZINC000823280895 606129222 /nfs/dbraw/zinc/12/92/22/606129222.db2.gz HVDMBRBTTUEZMZ-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(Cl)ccn1 ZINC000823280895 606129223 /nfs/dbraw/zinc/12/92/23/606129223.db2.gz HVDMBRBTTUEZMZ-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccccc1C(F)(F)F)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823281282 607233138 /nfs/dbraw/zinc/23/31/38/607233138.db2.gz QUKGGLGZRJSJSX-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccccc1C(F)(F)F)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823281282 607233139 /nfs/dbraw/zinc/23/31/39/607233139.db2.gz QUKGGLGZRJSJSX-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM CC[C@H](C)NC(=O)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825066745 608808583 /nfs/dbraw/zinc/80/85/83/608808583.db2.gz DXIJBAOUNKNIDT-LBPRGKRZSA-N -1 3 394.439 2.544 20 50 GFGDHM CC[C@H](C)NC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825066745 608808587 /nfs/dbraw/zinc/80/85/87/608808587.db2.gz DXIJBAOUNKNIDT-LBPRGKRZSA-N -1 3 394.439 2.544 20 50 GFGDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826465019 608810273 /nfs/dbraw/zinc/81/02/73/608810273.db2.gz VQSKGPHTKOMQJS-DETPVDSQSA-N -1 3 377.242 2.864 20 50 GFGDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826465019 608810276 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O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1csc(Cc2ccccc2)n1 ZINC000826447754 607343992 /nfs/dbraw/zinc/34/39/92/607343992.db2.gz URQUXXNMOQTBFA-UHFFFAOYSA-N -1 3 377.433 2.671 20 50 GFGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)n1CC(F)(F)F ZINC000826260003 607355266 /nfs/dbraw/zinc/35/52/66/607355266.db2.gz QSNVTUYMBCYEBB-UHFFFAOYSA-N -1 3 379.346 2.604 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826215025 607404690 /nfs/dbraw/zinc/40/46/90/607404690.db2.gz DOOCRTNBPMKJSA-MFOYZWKCSA-N -1 3 375.388 2.834 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826215025 607404692 /nfs/dbraw/zinc/40/46/92/607404692.db2.gz DOOCRTNBPMKJSA-MFOYZWKCSA-N -1 3 375.388 2.834 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000826448051 607714326 /nfs/dbraw/zinc/71/43/26/607714326.db2.gz GASPAIIIHUPUKQ-SFHVURJKSA-N -1 3 395.442 2.504 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000826448051 607714328 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O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000826449506 607721643 /nfs/dbraw/zinc/72/16/43/607721643.db2.gz WDSMAOBEOXBEFY-UHFFFAOYSA-N -1 3 395.423 2.810 20 50 GFGDHM O=C(COc1cc(Cl)ccc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826416525 607728451 /nfs/dbraw/zinc/72/84/51/607728451.db2.gz CRLBEZPAXNGNGH-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=C(COc1cc(Cl)ccc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826416525 607728453 /nfs/dbraw/zinc/72/84/53/607728453.db2.gz CRLBEZPAXNGNGH-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM C[C@H]1CCC(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824901065 607782281 /nfs/dbraw/zinc/78/22/81/607782281.db2.gz XOOWBXJFQMUEAG-ZDUSSCGKSA-N -1 3 376.420 2.663 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)C2CCCC2)cc(-c2nnn[n-]2)n1C ZINC000826236084 607807933 /nfs/dbraw/zinc/80/79/33/607807933.db2.gz XZRAAYPGFHIWEB-OQLLNIDSSA-N -1 3 381.484 2.753 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)C2CCCC2)cc(-c2nn[n-]n2)n1C ZINC000826236084 607807934 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O=C(NCc1cccc(C(F)(F)F)c1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826442567 607887211 /nfs/dbraw/zinc/88/72/11/607887211.db2.gz AXYYHTAYDFFNRN-UHFFFAOYSA-N -1 3 389.341 2.719 20 50 GFGDHM CCOC(=O)C=Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825499978 608806294 /nfs/dbraw/zinc/80/62/94/608806294.db2.gz ZLINNIFMMMWVFY-FLIBITNWSA-N -1 3 393.407 2.592 20 50 GFGDHM CCOC(=O)C=Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825499978 608806296 /nfs/dbraw/zinc/80/62/96/608806296.db2.gz ZLINNIFMMMWVFY-FLIBITNWSA-N -1 3 393.407 2.592 20 50 GFGDHM CC(C)Oc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000824329429 608815815 /nfs/dbraw/zinc/81/58/15/608815815.db2.gz QAKMODVBCUNZTN-UHFFFAOYSA-N -1 3 378.396 2.674 20 50 GFGDHM CC(C)Oc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000824329429 608815818 /nfs/dbraw/zinc/81/58/18/608815818.db2.gz QAKMODVBCUNZTN-UHFFFAOYSA-N -1 3 378.396 2.674 20 50 GFGDHM Cn1cc(C=C(C#N)C(=O)Nc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359507 609303240 /nfs/dbraw/zinc/30/32/40/609303240.db2.gz JCAMPTZGTGMZMA-LFIBNONCSA-N -1 3 396.414 2.813 20 50 GFGDHM Cn1cc(C=C(C#N)C(=O)Nc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359507 609303243 /nfs/dbraw/zinc/30/32/43/609303243.db2.gz JCAMPTZGTGMZMA-LFIBNONCSA-N -1 3 396.414 2.813 20 50 GFGDHM Cc1ccc(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(Cl)c1 ZINC000826291256 607339015 /nfs/dbraw/zinc/33/90/15/607339015.db2.gz WVBYHPMNFXGTFI-UHFFFAOYSA-N -1 3 385.815 2.603 20 50 GFGDHM Cc1ccc(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(Cl)c1 ZINC000826291256 607339016 /nfs/dbraw/zinc/33/90/16/607339016.db2.gz WVBYHPMNFXGTFI-UHFFFAOYSA-N -1 3 385.815 2.603 20 50 GFGDHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824752998 607339846 /nfs/dbraw/zinc/33/98/46/607339846.db2.gz AZEXWTSBCKQQGA-SNVBAGLBSA-N -1 3 392.341 2.796 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2[nH]ncc21 ZINC000826446296 607395612 /nfs/dbraw/zinc/39/56/12/607395612.db2.gz GQLMGANXTZITNT-UHFFFAOYSA-N -1 3 388.313 2.519 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826215026 607404872 /nfs/dbraw/zinc/40/48/72/607404872.db2.gz DOOCRTNBPMKJSA-RQZCQDPDSA-N -1 3 375.388 2.834 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826215026 607404873 /nfs/dbraw/zinc/40/48/73/607404873.db2.gz DOOCRTNBPMKJSA-RQZCQDPDSA-N -1 3 375.388 2.834 20 50 GFGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000826249677 607648522 /nfs/dbraw/zinc/64/85/22/607648522.db2.gz OGNFTHYTZVOTOE-UHFFFAOYSA-N -1 3 378.436 2.547 20 50 GFGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000826249677 607648525 /nfs/dbraw/zinc/64/85/25/607648525.db2.gz OGNFTHYTZVOTOE-UHFFFAOYSA-N -1 3 378.436 2.547 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCCC(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235631 607703051 /nfs/dbraw/zinc/70/30/51/607703051.db2.gz NSBUZMMBZRPRPM-GHXNOFRVSA-N -1 3 382.346 2.696 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCCC(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235631 607703053 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O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(=O)c1ccccc1 ZINC000826448953 607723413 /nfs/dbraw/zinc/72/34/13/607723413.db2.gz UUEGJGGCPDRYDZ-UHFFFAOYSA-N -1 3 384.399 2.855 20 50 GFGDHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824739621 607733098 /nfs/dbraw/zinc/73/30/98/607733098.db2.gz YOBVWTJJMKOYEA-VIFPVBQESA-N -1 3 376.779 2.570 20 50 GFGDHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824739621 607733101 /nfs/dbraw/zinc/73/31/01/607733101.db2.gz YOBVWTJJMKOYEA-VIFPVBQESA-N -1 3 376.779 2.570 20 50 GFGDHM C[C@H](C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824385034 608110052 /nfs/dbraw/zinc/11/00/52/608110052.db2.gz KHFGCXFWZAFSPO-GFCCVEGCSA-N -1 3 384.827 2.805 20 50 GFGDHM CC(=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000823948535 608227023 /nfs/dbraw/zinc/22/70/23/608227023.db2.gz QWIQBHUCQNCBDK-UHFFFAOYSA-N -1 3 388.790 2.578 20 50 GFGDHM CC(=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000823948535 608227025 /nfs/dbraw/zinc/22/70/25/608227025.db2.gz QWIQBHUCQNCBDK-UHFFFAOYSA-N -1 3 388.790 2.578 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2cccc(F)c2F)cc(-c2nnn[n-]2)n1C ZINC000826235711 608385464 /nfs/dbraw/zinc/38/54/64/608385464.db2.gz PKCBFGJMSUYMGO-QVASGMJFSA-N -1 3 397.389 2.576 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2cccc(F)c2F)cc(-c2nn[n-]n2)n1C ZINC000826235711 608385466 /nfs/dbraw/zinc/38/54/66/608385466.db2.gz PKCBFGJMSUYMGO-QVASGMJFSA-N -1 3 397.389 2.576 20 50 GFGDHM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1-c1nnn[n-]1 ZINC000826190786 608386920 /nfs/dbraw/zinc/38/69/20/608386920.db2.gz NIWXUZKSHJHLOP-NTUHNPAUSA-N -1 3 378.348 2.856 20 50 GFGDHM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1-c1nn[n-]n1 ZINC000826190786 608386922 /nfs/dbraw/zinc/38/69/22/608386922.db2.gz NIWXUZKSHJHLOP-NTUHNPAUSA-N -1 3 378.348 2.856 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(OC(F)(F)F)c1 ZINC000826448422 608805079 /nfs/dbraw/zinc/80/50/79/608805079.db2.gz UXJWCQWYUFIKSQ-UHFFFAOYSA-N -1 3 379.302 2.914 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(OC(F)(F)F)c1 ZINC000826448422 608805081 /nfs/dbraw/zinc/80/50/81/608805081.db2.gz UXJWCQWYUFIKSQ-UHFFFAOYSA-N -1 3 379.302 2.914 20 50 GFGDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000824319411 608807555 /nfs/dbraw/zinc/80/75/55/608807555.db2.gz PBOCQMNMFCATJZ-UHFFFAOYSA-N -1 3 398.383 2.711 20 50 GFGDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000824319411 608807557 /nfs/dbraw/zinc/80/75/57/608807557.db2.gz PBOCQMNMFCATJZ-UHFFFAOYSA-N -1 3 398.383 2.711 20 50 GFGDHM CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948180 609157282 /nfs/dbraw/zinc/15/72/82/609157282.db2.gz FRULKGPCUKSKET-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948180 609157284 /nfs/dbraw/zinc/15/72/84/609157284.db2.gz FRULKGPCUKSKET-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM CC(=NNC(=O)c1cccc2cccnc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953752 609158958 /nfs/dbraw/zinc/15/89/58/609158958.db2.gz OJMYBYBAZKIHHE-UHFFFAOYSA-N -1 3 375.367 2.708 20 50 GFGDHM CC(=NNC(=O)c1cccc2cccnc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953752 609158959 /nfs/dbraw/zinc/15/89/59/609158959.db2.gz OJMYBYBAZKIHHE-UHFFFAOYSA-N -1 3 375.367 2.708 20 50 GFGDHM CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948754 609277015 /nfs/dbraw/zinc/27/70/15/609277015.db2.gz WKSCPOPPDKEWOM-UHFFFAOYSA-N -1 3 377.383 2.501 20 50 GFGDHM CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948754 609277016 /nfs/dbraw/zinc/27/70/16/609277016.db2.gz WKSCPOPPDKEWOM-UHFFFAOYSA-N -1 3 377.383 2.501 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCc2cccc(F)c2)cc(-c2nnn[n-]2)n1C ZINC000826235848 609462818 /nfs/dbraw/zinc/46/28/18/609462818.db2.gz SMGXNEPBORRWFN-YBEGLDIGSA-N -1 3 394.410 2.736 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCc2cccc(F)c2)cc(-c2nn[n-]n2)n1C ZINC000826235848 609462819 /nfs/dbraw/zinc/46/28/19/609462819.db2.gz SMGXNEPBORRWFN-YBEGLDIGSA-N -1 3 394.410 2.736 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1ccccc1Br ZINC000826401869 607339491 /nfs/dbraw/zinc/33/94/91/607339491.db2.gz IOLWIMVPGMEYNF-MDZDMXLPSA-N -1 3 385.225 2.786 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccccc1Br ZINC000826401869 607339493 /nfs/dbraw/zinc/33/94/93/607339493.db2.gz IOLWIMVPGMEYNF-MDZDMXLPSA-N -1 3 385.225 2.786 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(OCc2cscn2)c1 ZINC000826446997 607352096 /nfs/dbraw/zinc/35/20/96/607352096.db2.gz ITTJCBWVBXFGME-UHFFFAOYSA-N -1 3 393.432 2.659 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000826447704 607357142 /nfs/dbraw/zinc/35/71/42/607357142.db2.gz SJXSSXJODFBAQJ-UHFFFAOYSA-N -1 3 399.414 2.621 20 50 GFGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1cccc2c1CCCC2 ZINC000824737943 607392668 /nfs/dbraw/zinc/39/26/68/607392668.db2.gz LGOHYGQZVDNGJW-CYBMUJFWSA-N -1 3 378.436 2.656 20 50 GFGDHM CCc1noc(C)c1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825770585 607394434 /nfs/dbraw/zinc/39/44/34/607394434.db2.gz CMLYSIUVTRAQPD-UHFFFAOYSA-N -1 3 381.318 2.501 20 50 GFGDHM CCc1noc(C)c1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825770585 607394436 /nfs/dbraw/zinc/39/44/36/607394436.db2.gz CMLYSIUVTRAQPD-UHFFFAOYSA-N -1 3 381.318 2.501 20 50 GFGDHM O=C(NNc1ccc(Cl)cc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826447388 607465831 /nfs/dbraw/zinc/46/58/31/607465831.db2.gz CQWSBGIDCIPOLE-MRXNPFEDSA-N -1 3 383.843 2.632 20 50 GFGDHM O=C(NNc1ccc(Cl)cc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826447482 607712149 /nfs/dbraw/zinc/71/21/49/607712149.db2.gz HGUWSMJVJSMIJF-UHFFFAOYSA-N -1 3 384.614 2.979 20 50 GFGDHM O=C(NNc1ccc(Cl)cc1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826447482 607712150 /nfs/dbraw/zinc/71/21/50/607712150.db2.gz HGUWSMJVJSMIJF-UHFFFAOYSA-N -1 3 384.614 2.979 20 50 GFGDHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826333026 607715961 /nfs/dbraw/zinc/71/59/61/607715961.db2.gz QSQGDISQRZCOGY-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826333026 607715963 /nfs/dbraw/zinc/71/59/63/607715963.db2.gz QSQGDISQRZCOGY-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM COc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1OCC(C)C ZINC000826177890 607719095 /nfs/dbraw/zinc/71/90/95/607719095.db2.gz ZWUGUWGVHLFIDH-UHFFFAOYSA-N -1 3 382.424 2.667 20 50 GFGDHM COc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1OCC(C)C ZINC000826177890 607719097 /nfs/dbraw/zinc/71/90/97/607719097.db2.gz ZWUGUWGVHLFIDH-UHFFFAOYSA-N -1 3 382.424 2.667 20 50 GFGDHM COc1ccc2c(c1)CCC[C@H]2CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826212596 607720769 /nfs/dbraw/zinc/72/07/69/607720769.db2.gz VKPROXPECJVAKS-AWEZNQCLSA-N -1 3 378.436 2.829 20 50 GFGDHM COc1ccc2c(c1)CCC[C@H]2CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826212596 607720771 /nfs/dbraw/zinc/72/07/71/607720771.db2.gz VKPROXPECJVAKS-AWEZNQCLSA-N -1 3 378.436 2.829 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000823281030 606585906 /nfs/dbraw/zinc/58/59/06/606585906.db2.gz LZTFTNNYAQNOJB-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000823281030 606585907 /nfs/dbraw/zinc/58/59/07/606585907.db2.gz LZTFTNNYAQNOJB-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM C[C@@H]1CCC(=NNC(=O)COc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000824899784 607782386 /nfs/dbraw/zinc/78/23/86/607782386.db2.gz OOEFWQWYYWRASE-CYBMUJFWSA-N -1 3 376.420 2.663 20 50 GFGDHM C[C@@H]1CCC(=NNC(=O)COc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000824899784 607782387 /nfs/dbraw/zinc/78/23/87/607782387.db2.gz OOEFWQWYYWRASE-CYBMUJFWSA-N -1 3 376.420 2.663 20 50 GFGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNc1cc(C(F)(F)F)ccc1F ZINC000826418559 607824588 /nfs/dbraw/zinc/82/45/88/607824588.db2.gz MDQIOTSFXCUIDG-UHFFFAOYSA-N -1 3 396.304 2.547 20 50 GFGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNc1cc(C(F)(F)F)ccc1F ZINC000826418559 607824589 /nfs/dbraw/zinc/82/45/89/607824589.db2.gz MDQIOTSFXCUIDG-UHFFFAOYSA-N -1 3 396.304 2.547 20 50 GFGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNc1cc(C(F)(F)F)ccc1F ZINC000826419203 607824597 /nfs/dbraw/zinc/82/45/97/607824597.db2.gz NTJLDUNBFGLGNV-UHFFFAOYSA-N -1 3 396.304 2.547 20 50 GFGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNc1cc(C(F)(F)F)ccc1F ZINC000826419203 607824598 /nfs/dbraw/zinc/82/45/98/607824598.db2.gz NTJLDUNBFGLGNV-UHFFFAOYSA-N -1 3 396.304 2.547 20 50 GFGDHM Cc1ccc(C)c(-c2cc(C(=O)NN=Cc3ccccc3-c3nnn[n-]3)[nH]n2)c1 ZINC000826284458 607889585 /nfs/dbraw/zinc/88/95/85/607889585.db2.gz UIOBSNVHVYJEEJ-UHFFFAOYSA-N -1 3 386.419 2.638 20 50 GFGDHM Cc1ccc(C)c(-c2cc(C(=O)NN=Cc3ccccc3-c3nn[n-]n3)[nH]n2)c1 ZINC000826284458 607889586 /nfs/dbraw/zinc/88/95/86/607889586.db2.gz UIOBSNVHVYJEEJ-UHFFFAOYSA-N -1 3 386.419 2.638 20 50 GFGDHM COc1cccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1F ZINC000826214385 608074626 /nfs/dbraw/zinc/07/46/26/608074626.db2.gz KDKLUDCPSHGPLJ-UHFFFAOYSA-N -1 3 396.304 2.790 20 50 GFGDHM COc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1F ZINC000826214385 608074627 /nfs/dbraw/zinc/07/46/27/608074627.db2.gz KDKLUDCPSHGPLJ-UHFFFAOYSA-N -1 3 396.304 2.790 20 50 GFGDHM N#CC(=Cc1cnc2ccc(Cl)cn12)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379393 608219557 /nfs/dbraw/zinc/21/95/57/608219557.db2.gz QPHQJXLNTTWIGN-QPEQYQDCSA-N -1 3 375.779 2.958 20 50 GFGDHM N#CC(=Cc1cnc2ccc(Cl)cn12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379393 608219559 /nfs/dbraw/zinc/21/95/59/608219559.db2.gz QPHQJXLNTTWIGN-QPEQYQDCSA-N -1 3 375.779 2.958 20 50 GFGDHM CCC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCCO2 ZINC000825029156 608228205 /nfs/dbraw/zinc/22/82/05/608228205.db2.gz NVZOESGMZAKPQE-UHFFFAOYSA-N -1 3 376.420 2.736 20 50 GFGDHM CCC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCCO2 ZINC000825029156 608228207 /nfs/dbraw/zinc/22/82/07/608228207.db2.gz NVZOESGMZAKPQE-UHFFFAOYSA-N -1 3 376.420 2.736 20 50 GFGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000824039603 608380241 /nfs/dbraw/zinc/38/02/41/608380241.db2.gz FUKUXTWKBPFWCZ-JTQLQIEISA-N -1 3 387.241 2.876 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826215340 608439588 /nfs/dbraw/zinc/43/95/88/608439588.db2.gz MIIMCIFKSRWYME-ZSOIEALJSA-N -1 3 379.351 2.665 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826215340 608439590 /nfs/dbraw/zinc/43/95/90/608439590.db2.gz MIIMCIFKSRWYME-ZSOIEALJSA-N -1 3 379.351 2.665 20 50 GFGDHM CCC(=O)Nc1ccc(C)c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825034828 608806324 /nfs/dbraw/zinc/80/63/24/608806324.db2.gz RHLMHIQRRXKBDJ-UHFFFAOYSA-N -1 3 380.412 2.672 20 50 GFGDHM CCC(=O)Nc1ccc(C)c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825034828 608806326 /nfs/dbraw/zinc/80/63/26/608806326.db2.gz RHLMHIQRRXKBDJ-UHFFFAOYSA-N -1 3 380.412 2.672 20 50 GFGDHM CC(=NNC(=O)c1cccc2cccnc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953577 609275312 /nfs/dbraw/zinc/27/53/12/609275312.db2.gz HTKOEWJJBHSSLU-UHFFFAOYSA-N -1 3 375.367 2.708 20 50 GFGDHM CC(=NNC(=O)c1cccc2cccnc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953577 609275313 /nfs/dbraw/zinc/27/53/13/609275313.db2.gz HTKOEWJJBHSSLU-UHFFFAOYSA-N -1 3 375.367 2.708 20 50 GFGDHM COc1ccc2[nH]c(=NNC(=O)c3ccc(-c4nnn[n-]4)cc3C)c(C)cc2c1 ZINC000826213776 609401171 /nfs/dbraw/zinc/40/11/71/609401171.db2.gz LXFDNDOZEJYOQP-UHFFFAOYSA-N -1 3 389.419 2.797 20 50 GFGDHM COc1ccc2[nH]c(=NNC(=O)c3ccc(-c4nn[n-]n4)cc3C)c(C)cc2c1 ZINC000826213776 609401172 /nfs/dbraw/zinc/40/11/72/609401172.db2.gz LXFDNDOZEJYOQP-UHFFFAOYSA-N -1 3 389.419 2.797 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000826449168 607336664 /nfs/dbraw/zinc/33/66/64/607336664.db2.gz FGZKCNRGTVYSMK-UHFFFAOYSA-N -1 3 381.396 2.886 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000826449168 607336666 /nfs/dbraw/zinc/33/66/66/607336666.db2.gz FGZKCNRGTVYSMK-UHFFFAOYSA-N -1 3 381.396 2.886 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000826446484 607343407 /nfs/dbraw/zinc/34/34/07/607343407.db2.gz NFMFLRVBIXABQJ-LSDHHAIUSA-N -1 3 399.252 2.876 20 50 GFGDHM CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824114467 607343676 /nfs/dbraw/zinc/34/36/76/607343676.db2.gz SCWFBCFSNQWRPE-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM N#Cc1ccc(Oc2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000826386243 607351806 /nfs/dbraw/zinc/35/18/06/607351806.db2.gz VWLAFMYCQOGBQD-UHFFFAOYSA-N -1 3 398.386 2.683 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccnc1SC(F)(F)F ZINC000826446901 607357014 /nfs/dbraw/zinc/35/70/14/607357014.db2.gz DCHMARAROYESGB-UHFFFAOYSA-N -1 3 381.343 2.631 20 50 GFGDHM O=C(NNC(=O)N1CCCC2(C1)CCCCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277859 599429226 /nfs/dbraw/zinc/42/92/26/599429226.db2.gz ZKLJENBPRKYBQD-UHFFFAOYSA-N -1 3 397.483 2.658 20 50 GFGDHM O=C(NNC(=O)N1CCCC2(C1)CCCCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277859 599429228 /nfs/dbraw/zinc/42/92/28/599429228.db2.gz ZKLJENBPRKYBQD-UHFFFAOYSA-N -1 3 397.483 2.658 20 50 GFGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NNc1ccc(OC(F)F)cc1 ZINC000826420669 607397337 /nfs/dbraw/zinc/39/73/37/607397337.db2.gz WHOUARAQFKSGBH-UHFFFAOYSA-N -1 3 392.391 2.704 20 50 GFGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNc1ccc(OC(F)F)cc1 ZINC000826420669 607397338 /nfs/dbraw/zinc/39/73/38/607397338.db2.gz WHOUARAQFKSGBH-UHFFFAOYSA-N -1 3 392.391 2.704 20 50 GFGDHM COc1cc(C2(C(=O)NNc3cccc(-c4nnn[n-]4)c3)CCC2)ccc1C ZINC000826178620 607713359 /nfs/dbraw/zinc/71/33/59/607713359.db2.gz FQSQSGWILBQBAY-UHFFFAOYSA-N -1 3 378.436 2.749 20 50 GFGDHM COc1cc(C2(C(=O)NNc3cccc(-c4nn[n-]n4)c3)CCC2)ccc1C ZINC000826178620 607713361 /nfs/dbraw/zinc/71/33/61/607713361.db2.gz FQSQSGWILBQBAY-UHFFFAOYSA-N -1 3 378.436 2.749 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1csc(Cc2ccccc2)n1 ZINC000826449503 607718019 /nfs/dbraw/zinc/71/80/19/607718019.db2.gz WACQUWVTKZWUIM-UHFFFAOYSA-N -1 3 377.433 2.671 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1csc(Cc2ccccc2)n1 ZINC000826449503 607718020 /nfs/dbraw/zinc/71/80/20/607718020.db2.gz WACQUWVTKZWUIM-UHFFFAOYSA-N -1 3 377.433 2.671 20 50 GFGDHM Cc1cc(C)n(-c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2F)n1 ZINC000826265372 607723985 /nfs/dbraw/zinc/72/39/85/607723985.db2.gz WTTDGIPFMDIWQO-UHFFFAOYSA-N -1 3 392.398 2.565 20 50 GFGDHM Cc1cc(C)n(-c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2F)n1 ZINC000826265372 607723988 /nfs/dbraw/zinc/72/39/88/607723988.db2.gz WTTDGIPFMDIWQO-UHFFFAOYSA-N -1 3 392.398 2.565 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Br)c1 ZINC000826448755 607726848 /nfs/dbraw/zinc/72/68/48/607726848.db2.gz JUWMJZGLSBNFJY-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Br)c1 ZINC000826448755 607726849 /nfs/dbraw/zinc/72/68/49/607726849.db2.gz JUWMJZGLSBNFJY-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM N#Cc1ccc(Oc2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000826385920 607730167 /nfs/dbraw/zinc/73/01/67/607730167.db2.gz HKQUEHQXTFGWBP-UHFFFAOYSA-N -1 3 398.386 2.683 20 50 GFGDHM N#Cc1ccc(Oc2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000826385920 607730169 /nfs/dbraw/zinc/73/01/69/607730169.db2.gz HKQUEHQXTFGWBP-UHFFFAOYSA-N -1 3 398.386 2.683 20 50 GFGDHM CCCn1c(C)cc(C=C(C#N)C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000825351351 607731083 /nfs/dbraw/zinc/73/10/83/607731083.db2.gz BVSATZXNQHTRTK-YVLHZVERSA-N -1 3 390.451 2.745 20 50 GFGDHM CCCn1c(C)cc(C=C(C#N)C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000825351351 607731085 /nfs/dbraw/zinc/73/10/85/607731085.db2.gz BVSATZXNQHTRTK-YVLHZVERSA-N -1 3 390.451 2.745 20 50 GFGDHM C[C@H]1CCC(=NNC(=O)COc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000824899785 607782401 /nfs/dbraw/zinc/78/24/01/607782401.db2.gz OOEFWQWYYWRASE-ZDUSSCGKSA-N -1 3 376.420 2.663 20 50 GFGDHM C[C@H]1CCC(=NNC(=O)COc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000824899785 607782402 /nfs/dbraw/zinc/78/24/02/607782402.db2.gz OOEFWQWYYWRASE-ZDUSSCGKSA-N -1 3 376.420 2.663 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(Cl)cc(C)c2[O-])cc(-c2nn[nH]n2)n1C ZINC000826267784 607999674 /nfs/dbraw/zinc/99/96/74/607999674.db2.gz WPPFHUIDQXVAKS-XGICHPGQSA-N -1 3 397.826 2.727 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948813 608095022 /nfs/dbraw/zinc/09/50/22/608095022.db2.gz ZFOIFNRMRWBARD-UHFFFAOYSA-N -1 3 396.411 2.611 20 50 GFGDHM CCN(CCc1cccs1)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825429199 608188608 /nfs/dbraw/zinc/18/86/08/608188608.db2.gz YFWMZBYIMRUWBI-GDNBJRDFSA-N -1 3 395.492 2.573 20 50 GFGDHM CCN(CCc1cccs1)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825429199 608188609 /nfs/dbraw/zinc/18/86/09/608188609.db2.gz YFWMZBYIMRUWBI-GDNBJRDFSA-N -1 3 395.492 2.573 20 50 GFGDHM N#CC(=Cc1nccn1Cc1ccccc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379165 608213628 /nfs/dbraw/zinc/21/36/28/608213628.db2.gz KRXZEBJRYUFXEP-PDGQHHTCSA-N -1 3 381.399 2.901 20 50 GFGDHM N#CC(=Cc1nccn1Cc1ccccc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379165 608213629 /nfs/dbraw/zinc/21/36/29/608213629.db2.gz KRXZEBJRYUFXEP-PDGQHHTCSA-N -1 3 381.399 2.901 20 50 GFGDHM CCC[C@H](C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825232130 608750293 /nfs/dbraw/zinc/75/02/93/608750293.db2.gz CILMNGKVTOVCAX-QGZVFWFLSA-N -1 3 378.436 2.931 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Oc2cccnc2)nc1 ZINC000826448215 608817752 /nfs/dbraw/zinc/81/77/52/608817752.db2.gz MIOYIUZYEAJHCS-UHFFFAOYSA-N -1 3 389.379 2.598 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Oc2cccnc2)nc1 ZINC000826448215 608817753 /nfs/dbraw/zinc/81/77/53/608817753.db2.gz MIOYIUZYEAJHCS-UHFFFAOYSA-N -1 3 389.379 2.598 20 50 GFGDHM CC(=NNC(=O)COc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948695 609157141 /nfs/dbraw/zinc/15/71/41/609157141.db2.gz UMYOTEZHJIFNRA-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM CC(=NNC(=O)COc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948695 609157142 /nfs/dbraw/zinc/15/71/42/609157142.db2.gz UMYOTEZHJIFNRA-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948798 609158999 /nfs/dbraw/zinc/15/89/99/609158999.db2.gz YOFFKYDLGBFLHU-UHFFFAOYSA-N -1 3 391.366 2.815 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948798 609159001 /nfs/dbraw/zinc/15/90/01/609159001.db2.gz YOFFKYDLGBFLHU-UHFFFAOYSA-N -1 3 391.366 2.815 20 50 GFGDHM O=C(NN=Cc1c(Cl)ccc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444404 609276432 /nfs/dbraw/zinc/27/64/32/609276432.db2.gz FFDSVAZLVKJFSB-UHFFFAOYSA-N -1 3 377.795 2.832 20 50 GFGDHM O=C(NN=Cc1c(Cl)ccc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444404 609276434 /nfs/dbraw/zinc/27/64/34/609276434.db2.gz FFDSVAZLVKJFSB-UHFFFAOYSA-N -1 3 377.795 2.832 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)n1CC(F)(F)F ZINC000826259799 607335848 /nfs/dbraw/zinc/33/58/48/607335848.db2.gz GVLRZNGUOIDHGE-UHFFFAOYSA-N -1 3 379.346 2.604 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)n1CC(F)(F)F ZINC000826259799 607335850 /nfs/dbraw/zinc/33/58/50/607335850.db2.gz GVLRZNGUOIDHGE-UHFFFAOYSA-N -1 3 379.346 2.604 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]nc1-c1ccccc1Cl ZINC000826448078 607338601 /nfs/dbraw/zinc/33/86/01/607338601.db2.gz HIAWSMIIMOGWMK-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(COc2ccc(F)cc2)o1 ZINC000826447046 607342748 /nfs/dbraw/zinc/34/27/48/607342748.db2.gz KWAFUGWHGLTYHV-UHFFFAOYSA-N -1 3 394.366 2.935 20 50 GFGDHM O=C(Cc1csc(-c2cccs2)n1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423932 607351907 /nfs/dbraw/zinc/35/19/07/607351907.db2.gz NTLAHKLNWGKGAN-UHFFFAOYSA-N -1 3 383.462 2.738 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826402598 607396957 /nfs/dbraw/zinc/39/69/57/607396957.db2.gz XVBRUMZKVTZTRI-VMPITWQZSA-N -1 3 385.771 2.585 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826402598 607396958 /nfs/dbraw/zinc/39/69/58/607396958.db2.gz XVBRUMZKVTZTRI-VMPITWQZSA-N -1 3 385.771 2.585 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000826448801 607712691 /nfs/dbraw/zinc/71/26/91/607712691.db2.gz MKEPYPJEDVLJKA-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000826448801 607712693 /nfs/dbraw/zinc/71/26/93/607712693.db2.gz MKEPYPJEDVLJKA-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000826448643 607714980 /nfs/dbraw/zinc/71/49/80/607714980.db2.gz DZAJQZJKIXNTDQ-UHFFFAOYSA-N -1 3 378.314 2.565 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000826448643 607714982 /nfs/dbraw/zinc/71/49/82/607714982.db2.gz DZAJQZJKIXNTDQ-UHFFFAOYSA-N -1 3 378.314 2.565 20 50 GFGDHM Cc1ccc(-c2nc(CC(=O)NNc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826273643 607718900 /nfs/dbraw/zinc/71/89/00/607718900.db2.gz NRIKCXOIMWAXNW-UHFFFAOYSA-N -1 3 391.460 2.984 20 50 GFGDHM Cc1ccc(-c2nc(CC(=O)NNc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826273643 607718901 /nfs/dbraw/zinc/71/89/01/607718901.db2.gz NRIKCXOIMWAXNW-UHFFFAOYSA-N -1 3 391.460 2.984 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1csc([N+](=O)[O-])c1 ZINC000823280917 606126148 /nfs/dbraw/zinc/12/61/48/606126148.db2.gz IFBUTPXAQDOSGN-UHFFFAOYSA-N -1 3 399.314 2.612 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1csc([N+](=O)[O-])c1 ZINC000823280917 606126149 /nfs/dbraw/zinc/12/61/49/606126149.db2.gz IFBUTPXAQDOSGN-UHFFFAOYSA-N -1 3 399.314 2.612 20 50 GFGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1cc(Cl)ccc1Cl ZINC000826419433 607808110 /nfs/dbraw/zinc/80/81/10/607808110.db2.gz XVXFRFVYKXKDIM-UHFFFAOYSA-N -1 3 391.218 2.703 20 50 GFGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1cc(Cl)ccc1Cl ZINC000826419433 607808111 /nfs/dbraw/zinc/80/81/11/607808111.db2.gz XVXFRFVYKXKDIM-UHFFFAOYSA-N -1 3 391.218 2.703 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826448160 607808902 /nfs/dbraw/zinc/80/89/02/607808902.db2.gz KODFTUBSPZDVKK-KDOFPFPSSA-N -1 3 393.451 2.661 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826448160 607808903 /nfs/dbraw/zinc/80/89/03/607808903.db2.gz KODFTUBSPZDVKK-KDOFPFPSSA-N -1 3 393.451 2.661 20 50 GFGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNc1cc(C(F)(F)F)ccc1F ZINC000826413120 607824484 /nfs/dbraw/zinc/82/44/84/607824484.db2.gz RXMHKIQNKOGBJH-UHFFFAOYSA-N -1 3 395.320 2.580 20 50 GFGDHM COc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826178049 608214874 /nfs/dbraw/zinc/21/48/74/608214874.db2.gz HUNMSIKGDKFFOO-SXGWCWSVSA-N -1 3 375.388 2.982 20 50 GFGDHM COc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826178049 608214875 /nfs/dbraw/zinc/21/48/75/608214875.db2.gz HUNMSIKGDKFFOO-SXGWCWSVSA-N -1 3 375.388 2.982 20 50 GFGDHM Cc1ccc(Cc2nc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826288854 608546436 /nfs/dbraw/zinc/54/64/36/608546436.db2.gz ZFHSCEDPUGMHTN-UHFFFAOYSA-N -1 3 391.460 2.979 20 50 GFGDHM Cc1ccc(Cc2nc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826288854 608546438 /nfs/dbraw/zinc/54/64/38/608546438.db2.gz ZFHSCEDPUGMHTN-UHFFFAOYSA-N -1 3 391.460 2.979 20 50 GFGDHM CCOC(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825522415 608808278 /nfs/dbraw/zinc/80/82/78/608808278.db2.gz FAMKUHBILJLLNV-UHFFFAOYSA-N -1 3 397.395 2.750 20 50 GFGDHM CCOC(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825522415 608808282 /nfs/dbraw/zinc/80/82/82/608808282.db2.gz FAMKUHBILJLLNV-UHFFFAOYSA-N -1 3 397.395 2.750 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(COCC2CC2)c1 ZINC000826448220 608810605 /nfs/dbraw/zinc/81/06/05/608810605.db2.gz MQLPCGRMXIETQY-UHFFFAOYSA-N -1 3 379.424 2.942 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(COCC2CC2)c1 ZINC000826448220 608810608 /nfs/dbraw/zinc/81/06/08/608810608.db2.gz MQLPCGRMXIETQY-UHFFFAOYSA-N -1 3 379.424 2.942 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OCC(F)F)cc1 ZINC000826448188 608815285 /nfs/dbraw/zinc/81/52/85/608815285.db2.gz LDXBDSNCTKGREI-UHFFFAOYSA-N -1 3 375.339 2.659 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OCC(F)F)cc1 ZINC000826448188 608815288 /nfs/dbraw/zinc/81/52/88/608815288.db2.gz LDXBDSNCTKGREI-UHFFFAOYSA-N -1 3 375.339 2.659 20 50 GFGDHM CC[C@@H]1C[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825181675 609160887 /nfs/dbraw/zinc/16/08/87/609160887.db2.gz FORJBNRGHMJOGH-MWLCHTKSSA-N -1 3 384.362 2.534 20 50 GFGDHM CC[C@@H]1C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825181675 609160888 /nfs/dbraw/zinc/16/08/88/609160888.db2.gz FORJBNRGHMJOGH-MWLCHTKSSA-N -1 3 384.362 2.534 20 50 GFGDHM CCC[C@H]1C[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825252496 609161790 /nfs/dbraw/zinc/16/17/90/609161790.db2.gz INRSLXMQQLDVFT-JQWIXIFHSA-N -1 3 398.389 2.924 20 50 GFGDHM CCC[C@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825252496 609161792 /nfs/dbraw/zinc/16/17/92/609161792.db2.gz INRSLXMQQLDVFT-JQWIXIFHSA-N -1 3 398.389 2.924 20 50 GFGDHM C[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000824384661 609259491 /nfs/dbraw/zinc/25/94/91/609259491.db2.gz FVFZVXAIFIRNDA-LLVKDONJSA-N -1 3 384.827 2.872 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)ccc1F ZINC000826446899 607339676 /nfs/dbraw/zinc/33/96/76/607339676.db2.gz CXJMROQCOGOIKV-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(F)c1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826449298 607339990 /nfs/dbraw/zinc/33/99/90/607339990.db2.gz LEBSJDBKFVGRFH-UHFFFAOYSA-N -1 3 394.366 2.935 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000826446844 607341369 /nfs/dbraw/zinc/34/13/69/607341369.db2.gz AZYUPEUZFDKLTN-UHFFFAOYSA-N -1 3 378.314 2.565 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000826446483 607343585 /nfs/dbraw/zinc/34/35/85/607343585.db2.gz NFMFLRVBIXABQJ-HUUCEWRRSA-N -1 3 399.252 2.876 20 50 GFGDHM COc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1OC1CCCC1 ZINC000826176980 607356303 /nfs/dbraw/zinc/35/63/03/607356303.db2.gz MKTBZIAHNIUWNQ-UHFFFAOYSA-N -1 3 394.435 2.954 20 50 GFGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000824041029 607718181 /nfs/dbraw/zinc/71/81/81/607718181.db2.gz XFHJCTVBBYTZAD-QMMMGPOBSA-N -1 3 393.270 2.938 20 50 GFGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000824041029 607718183 /nfs/dbraw/zinc/71/81/83/607718183.db2.gz XFHJCTVBBYTZAD-QMMMGPOBSA-N -1 3 393.270 2.938 20 50 GFGDHM CCOc1cc(Cl)ccc1CNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825616122 607782260 /nfs/dbraw/zinc/78/22/60/607782260.db2.gz XJYIXCGZECFSLA-UHFFFAOYSA-N -1 3 387.831 2.745 20 50 GFGDHM CCOc1cc(Cl)ccc1CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825616122 607782261 /nfs/dbraw/zinc/78/22/61/607782261.db2.gz XJYIXCGZECFSLA-UHFFFAOYSA-N -1 3 387.831 2.745 20 50 GFGDHM O=C(NN=Cc1ccc(-c2ccncc2)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826444488 607783447 /nfs/dbraw/zinc/78/34/47/607783447.db2.gz JBPWNSXREKSQJU-UHFFFAOYSA-N -1 3 387.378 2.832 20 50 GFGDHM O=C(NN=Cc1ccc(-c2ccncc2)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826444488 607783448 /nfs/dbraw/zinc/78/34/48/607783448.db2.gz JBPWNSXREKSQJU-UHFFFAOYSA-N -1 3 387.378 2.832 20 50 GFGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823953436 608053595 /nfs/dbraw/zinc/05/35/95/608053595.db2.gz AAILDPVDIGNWDI-GFCCVEGCSA-N -1 3 393.407 2.759 20 50 GFGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823953436 608053596 /nfs/dbraw/zinc/05/35/96/608053596.db2.gz AAILDPVDIGNWDI-GFCCVEGCSA-N -1 3 393.407 2.759 20 50 GFGDHM CCOc1ccc([N+](=O)[O-])cc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825643283 608213052 /nfs/dbraw/zinc/21/30/52/608213052.db2.gz KSSNEAMNFLCZGU-DHDCSXOGSA-N -1 3 390.359 2.963 20 50 GFGDHM CCOc1ccc([N+](=O)[O-])cc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825643283 608213054 /nfs/dbraw/zinc/21/30/54/608213054.db2.gz KSSNEAMNFLCZGU-DHDCSXOGSA-N -1 3 390.359 2.963 20 50 GFGDHM C[C@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824384843 608258257 /nfs/dbraw/zinc/25/82/57/608258257.db2.gz ICVZZWUDRWVJMZ-LBPRGKRZSA-N -1 3 398.854 2.550 20 50 GFGDHM C[C@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824384843 608258258 /nfs/dbraw/zinc/25/82/58/608258258.db2.gz ICVZZWUDRWVJMZ-LBPRGKRZSA-N -1 3 398.854 2.550 20 50 GFGDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C#N)=Cc1ccc(C)cc1 ZINC000826170526 608344787 /nfs/dbraw/zinc/34/47/87/608344787.db2.gz DDEGNDJGOZTOGG-RQZCQDPDSA-N -1 3 375.388 2.834 20 50 GFGDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C#N)=Cc1ccc(C)cc1 ZINC000826170526 608344789 /nfs/dbraw/zinc/34/47/89/608344789.db2.gz DDEGNDJGOZTOGG-RQZCQDPDSA-N -1 3 375.388 2.834 20 50 GFGDHM CCC[C@H](C=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000825234052 608750169 /nfs/dbraw/zinc/75/01/69/608750169.db2.gz VTWWTBPVDTZXRF-MRXNPFEDSA-N -1 3 378.436 2.931 20 50 GFGDHM CCC[C@H](C=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000825234052 608750171 /nfs/dbraw/zinc/75/01/71/608750171.db2.gz VTWWTBPVDTZXRF-MRXNPFEDSA-N -1 3 378.436 2.931 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Cl)c1-n1cccn1 ZINC000826448277 608807494 /nfs/dbraw/zinc/80/74/94/608807494.db2.gz OVDISPDVGXDRLS-UHFFFAOYSA-N -1 3 395.814 2.854 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Cl)c1-n1cccn1 ZINC000826448277 608807495 /nfs/dbraw/zinc/80/74/95/608807495.db2.gz OVDISPDVGXDRLS-UHFFFAOYSA-N -1 3 395.814 2.854 20 50 GFGDHM CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825642733 608874019 /nfs/dbraw/zinc/87/40/19/608874019.db2.gz AGXHEILJQRAPCL-LCYFTJDESA-N -1 3 378.367 2.950 20 50 GFGDHM CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825642733 608874022 /nfs/dbraw/zinc/87/40/22/608874022.db2.gz AGXHEILJQRAPCL-LCYFTJDESA-N -1 3 378.367 2.950 20 50 GFGDHM C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385468 609259590 /nfs/dbraw/zinc/25/95/90/609259590.db2.gz UTGMCOKWNXFGSB-LLVKDONJSA-N -1 3 384.827 2.872 20 50 GFGDHM C[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000824385468 609259591 /nfs/dbraw/zinc/25/95/91/609259591.db2.gz UTGMCOKWNXFGSB-LLVKDONJSA-N -1 3 384.827 2.872 20 50 GFGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C1CC(c2ccc(Cl)cc2)C1 ZINC000826419149 609467614 /nfs/dbraw/zinc/46/76/14/609467614.db2.gz LOMKYPKIHSHTLC-UHFFFAOYSA-N -1 3 396.838 2.949 20 50 GFGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C1CC(c2ccc(Cl)cc2)C1 ZINC000826419149 609467617 /nfs/dbraw/zinc/46/76/17/609467617.db2.gz LOMKYPKIHSHTLC-UHFFFAOYSA-N -1 3 396.838 2.949 20 50 GFGDHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826331654 607337720 /nfs/dbraw/zinc/33/77/20/607337720.db2.gz SCRXJOSQTGMIDO-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826331654 607337721 /nfs/dbraw/zinc/33/77/21/607337721.db2.gz SCRXJOSQTGMIDO-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM O=C(NNc1ccccc1Br)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826449322 607339925 /nfs/dbraw/zinc/33/99/25/607339925.db2.gz MLZLRNHOTUSXFO-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM O=C(NNc1ccccc1Br)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826449322 607339927 /nfs/dbraw/zinc/33/99/27/607339927.db2.gz MLZLRNHOTUSXFO-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824185359 607353345 /nfs/dbraw/zinc/35/33/45/607353345.db2.gz XBZARYKSZBWWPS-UHFFFAOYSA-N -1 3 399.842 2.872 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1NC(=O)c1ccccc1 ZINC000826457990 607732512 /nfs/dbraw/zinc/73/25/12/607732512.db2.gz YPPKICCQIPFARD-UHFFFAOYSA-N -1 3 399.414 2.876 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1NC(=O)c1ccccc1 ZINC000826457990 607732514 /nfs/dbraw/zinc/73/25/14/607732514.db2.gz YPPKICCQIPFARD-UHFFFAOYSA-N -1 3 399.414 2.876 20 50 GFGDHM C[C@H](C=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000824385702 608110081 /nfs/dbraw/zinc/11/00/81/608110081.db2.gz ZKRWABDPCFPIKT-GFCCVEGCSA-N -1 3 384.827 2.805 20 50 GFGDHM C[C@H](C=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000824385702 608110082 /nfs/dbraw/zinc/11/00/82/608110082.db2.gz ZKRWABDPCFPIKT-GFCCVEGCSA-N -1 3 384.827 2.805 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2cccc(C#N)c2)cc(-c2nnn[n-]2)n1C ZINC000826235869 608185881 /nfs/dbraw/zinc/18/58/81/608185881.db2.gz TTXIMVZVJMUUPG-KCXFFNSDSA-N -1 3 387.403 2.597 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2cccc(C#N)c2)cc(-c2nn[n-]n2)n1C ZINC000826235869 608185883 /nfs/dbraw/zinc/18/58/83/608185883.db2.gz TTXIMVZVJMUUPG-KCXFFNSDSA-N -1 3 387.403 2.597 20 50 GFGDHM COc1cc2c(c(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)c1)O[C@@H](C)C2 ZINC000826178561 608214778 /nfs/dbraw/zinc/21/47/78/608214778.db2.gz CUIJMGLVWLCMHR-OPFCKLNOSA-N -1 3 387.399 2.989 20 50 GFGDHM COc1cc2c(c(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)c1)O[C@@H](C)C2 ZINC000826178561 608214781 /nfs/dbraw/zinc/21/47/81/608214781.db2.gz CUIJMGLVWLCMHR-OPFCKLNOSA-N -1 3 387.399 2.989 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826190590 608216301 /nfs/dbraw/zinc/21/63/01/608216301.db2.gz GOWBZLYHYBLTGE-AUWJEWJLSA-N -1 3 376.332 2.573 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826190590 608216302 /nfs/dbraw/zinc/21/63/02/608216302.db2.gz GOWBZLYHYBLTGE-AUWJEWJLSA-N -1 3 376.332 2.573 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1OC(F)(F)F ZINC000826448417 608805746 /nfs/dbraw/zinc/80/57/46/608805746.db2.gz UUWPXCXTDLPPNV-UHFFFAOYSA-N -1 3 379.302 2.914 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1OC(F)(F)F ZINC000826448417 608805748 /nfs/dbraw/zinc/80/57/48/608805748.db2.gz UUWPXCXTDLPPNV-UHFFFAOYSA-N -1 3 379.302 2.914 20 50 GFGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826273043 609263015 /nfs/dbraw/zinc/26/30/15/609263015.db2.gz NFQULKYFJUWLSS-ZDUSSCGKSA-N -1 3 389.419 2.634 20 50 GFGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826273043 609263016 /nfs/dbraw/zinc/26/30/16/609263016.db2.gz NFQULKYFJUWLSS-ZDUSSCGKSA-N -1 3 389.419 2.634 20 50 GFGDHM O=C(NNc1ccnc(F)c1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449268 609299653 /nfs/dbraw/zinc/29/96/53/609299653.db2.gz JKRUDGDZNYGXRM-UHFFFAOYSA-N -1 3 390.382 2.901 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000826446481 607343560 /nfs/dbraw/zinc/34/35/60/607343560.db2.gz NFMFLRVBIXABQJ-CABCVRRESA-N -1 3 399.252 2.876 20 50 GFGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1ccc(C#N)cc1 ZINC000826259694 607354126 /nfs/dbraw/zinc/35/41/26/607354126.db2.gz AIVQZVVNWCPYKU-UHFFFAOYSA-N -1 3 398.430 2.903 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000826446828 607357146 /nfs/dbraw/zinc/35/71/46/607357146.db2.gz AGYSZYKONYHEBV-UHFFFAOYSA-N -1 3 388.391 2.551 20 50 GFGDHM Cc1ccc(C)c(NNC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826284646 607381955 /nfs/dbraw/zinc/38/19/55/607381955.db2.gz AAFOCWLMIXVAJB-UHFFFAOYSA-N -1 3 393.451 2.736 20 50 GFGDHM Cc1ccc(C)c(NNC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826284646 607381957 /nfs/dbraw/zinc/38/19/57/607381957.db2.gz AAFOCWLMIXVAJB-UHFFFAOYSA-N -1 3 393.451 2.736 20 50 GFGDHM CCc1ncsc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825754736 607561171 /nfs/dbraw/zinc/56/11/71/607561171.db2.gz GNZNQJQAVZNKJA-UHFFFAOYSA-N -1 3 383.359 2.661 20 50 GFGDHM CCc1ncsc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825754736 607561173 /nfs/dbraw/zinc/56/11/73/607561173.db2.gz GNZNQJQAVZNKJA-UHFFFAOYSA-N -1 3 383.359 2.661 20 50 GFGDHM COc1cc(OC)c(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826181087 607671583 /nfs/dbraw/zinc/67/15/83/607671583.db2.gz KKVDYGRTPGNLKU-UHFFFAOYSA-N -1 3 389.803 2.686 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(OCc2ccccc2)nc1 ZINC000826448794 607721738 /nfs/dbraw/zinc/72/17/38/607721738.db2.gz MCBXJWDAUIDGNT-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(OCc2ccccc2)nc1 ZINC000826448794 607721740 /nfs/dbraw/zinc/72/17/40/607721740.db2.gz MCBXJWDAUIDGNT-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000826448164 607722893 /nfs/dbraw/zinc/72/28/93/607722893.db2.gz KRFAHUYHEIAETE-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000826448164 607722894 /nfs/dbraw/zinc/72/28/94/607722894.db2.gz KRFAHUYHEIAETE-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM O=C(NNc1cccnn1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823280885 606277830 /nfs/dbraw/zinc/27/78/30/606277830.db2.gz HSLOKZLLMDORQT-UHFFFAOYSA-N -1 3 390.432 2.565 20 50 GFGDHM N#CC(=Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378879 608215620 /nfs/dbraw/zinc/21/56/20/608215620.db2.gz CNXGSZYRIUWPIR-DJKKODMXSA-N -1 3 381.399 2.901 20 50 GFGDHM N#CC(=Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378879 608215621 /nfs/dbraw/zinc/21/56/21/608215621.db2.gz CNXGSZYRIUWPIR-DJKKODMXSA-N -1 3 381.399 2.901 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(Cl)c1 ZINC000826259822 609259926 /nfs/dbraw/zinc/25/99/26/609259926.db2.gz IEBVHBFOVCZAAT-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(Cl)c1 ZINC000826259822 609259928 /nfs/dbraw/zinc/25/99/28/609259928.db2.gz IEBVHBFOVCZAAT-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948380 609276304 /nfs/dbraw/zinc/27/63/04/609276304.db2.gz JWLTYMWSGYEPDC-UHFFFAOYSA-N -1 3 382.403 2.618 20 50 GFGDHM CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948380 609276306 /nfs/dbraw/zinc/27/63/06/609276306.db2.gz JWLTYMWSGYEPDC-UHFFFAOYSA-N -1 3 382.403 2.618 20 50 GFGDHM O=C(CCc1cccc(Br)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409060 607342033 /nfs/dbraw/zinc/34/20/33/607342033.db2.gz GVODUIKDMSCBFE-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000826446780 607357333 /nfs/dbraw/zinc/35/73/33/607357333.db2.gz YENYHCQMKLYGQC-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM O=C(NNc1cccc(C(F)(F)F)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826449110 607712936 /nfs/dbraw/zinc/71/29/36/607712936.db2.gz BZBTWVUUGAFJJK-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1cccc(C(F)(F)F)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826449110 607712937 /nfs/dbraw/zinc/71/29/37/607712937.db2.gz BZBTWVUUGAFJJK-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1OC(F)F ZINC000826449001 607716651 /nfs/dbraw/zinc/71/66/51/607716651.db2.gz XGBWNRGHUMBNHX-UHFFFAOYSA-N -1 3 380.742 2.878 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1OC(F)F ZINC000826449001 607716653 /nfs/dbraw/zinc/71/66/53/607716653.db2.gz XGBWNRGHUMBNHX-UHFFFAOYSA-N -1 3 380.742 2.878 20 50 GFGDHM C=CCOc1ccc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000823932042 607718442 /nfs/dbraw/zinc/71/84/42/607718442.db2.gz LLRAXHDQLRSFCZ-NTMALXAHSA-N -1 3 392.419 2.597 20 50 GFGDHM C=CCOc1ccc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000823932042 607718444 /nfs/dbraw/zinc/71/84/44/607718444.db2.gz LLRAXHDQLRSFCZ-NTMALXAHSA-N -1 3 392.419 2.597 20 50 GFGDHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825080692 607729588 /nfs/dbraw/zinc/72/95/88/607729588.db2.gz BLSSPIMBTXYIAO-GFCCVEGCSA-N -1 3 391.439 2.648 20 50 GFGDHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825080692 607729590 /nfs/dbraw/zinc/72/95/90/607729590.db2.gz BLSSPIMBTXYIAO-GFCCVEGCSA-N -1 3 391.439 2.648 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c2c(sc1-n1cccc1)CCC2 ZINC000826446372 607995742 /nfs/dbraw/zinc/99/57/42/607995742.db2.gz JCDMETNRTMCXKE-UHFFFAOYSA-N -1 3 391.460 2.965 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccnc(OC2CCCCC2)c1 ZINC000826449234 608277689 /nfs/dbraw/zinc/27/76/89/608277689.db2.gz IQEVDRNBESCQIP-UHFFFAOYSA-N -1 3 379.424 2.730 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccnc(OC2CCCCC2)c1 ZINC000826449234 608277691 /nfs/dbraw/zinc/27/76/91/608277691.db2.gz IQEVDRNBESCQIP-UHFFFAOYSA-N -1 3 379.424 2.730 20 50 GFGDHM Cc1cn(-c2ccccc2Cl)nc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826316453 608381266 /nfs/dbraw/zinc/38/12/66/608381266.db2.gz OPOQWWOWGXHQQO-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1cc(C(=O)NNc2cc(C)ccc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826284872 609165320 /nfs/dbraw/zinc/16/53/20/609165320.db2.gz IRKFIRQJACLDKH-UHFFFAOYSA-N -1 3 388.435 2.735 20 50 GFGDHM Cc1cc(C(=O)NNc2cc(C)ccc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826284872 609165322 /nfs/dbraw/zinc/16/53/22/609165322.db2.gz IRKFIRQJACLDKH-UHFFFAOYSA-N -1 3 388.435 2.735 20 50 GFGDHM CC(C)(C)CC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824078455 609404322 /nfs/dbraw/zinc/40/43/22/609404322.db2.gz JCCOUCBGECNQDQ-UHFFFAOYSA-N -1 3 394.435 2.856 20 50 GFGDHM CC(C)(C)CC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824078455 609404324 /nfs/dbraw/zinc/40/43/24/609404324.db2.gz JCCOUCBGECNQDQ-UHFFFAOYSA-N -1 3 394.435 2.856 20 50 GFGDHM O=C(C=Cc1ccccc1OC(F)(F)F)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826403162 607343485 /nfs/dbraw/zinc/34/34/85/607343485.db2.gz LHVPRFUVXVYHGB-JXMROGBWSA-N -1 3 390.325 2.922 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000826446512 607345122 /nfs/dbraw/zinc/34/51/22/607345122.db2.gz OLYNPRDNVRLLCU-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826331792 607356705 /nfs/dbraw/zinc/35/67/05/607356705.db2.gz XXFYQPMAFMHSJP-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM CC(C)c1ncncc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824364398 607394090 /nfs/dbraw/zinc/39/40/90/607394090.db2.gz DXEBZNBUYOCLIP-UHFFFAOYSA-N -1 3 392.345 2.556 20 50 GFGDHM CC(C)c1ncncc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824364398 607394092 /nfs/dbraw/zinc/39/40/92/607394092.db2.gz DXEBZNBUYOCLIP-UHFFFAOYSA-N -1 3 392.345 2.556 20 50 GFGDHM CCCCC[C@@H](O)CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825268358 607394503 /nfs/dbraw/zinc/39/45/03/607394503.db2.gz UBCWOSACROHURR-LLVKDONJSA-N -1 3 386.378 2.660 20 50 GFGDHM CCCCC[C@@H](O)CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825268358 607394505 /nfs/dbraw/zinc/39/45/05/607394505.db2.gz UBCWOSACROHURR-LLVKDONJSA-N -1 3 386.378 2.660 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826215800 607597866 /nfs/dbraw/zinc/59/78/66/607597866.db2.gz ZEHPDANPOXKXNB-NVNXTCNLSA-N -1 3 391.387 2.534 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826215800 607597867 /nfs/dbraw/zinc/59/78/67/607597867.db2.gz ZEHPDANPOXKXNB-NVNXTCNLSA-N -1 3 391.387 2.534 20 50 GFGDHM O=C(Cc1csc(-c2cccc(F)c2)n1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424138 607715776 /nfs/dbraw/zinc/71/57/76/607715776.db2.gz XNJRHDPJZGVWMT-UHFFFAOYSA-N -1 3 395.423 2.815 20 50 GFGDHM O=C(Cc1csc(-c2cccc(F)c2)n1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424138 607715778 /nfs/dbraw/zinc/71/57/78/607715778.db2.gz XNJRHDPJZGVWMT-UHFFFAOYSA-N -1 3 395.423 2.815 20 50 GFGDHM Cc1oc(-c2ccsc2)nc1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826340836 607721287 /nfs/dbraw/zinc/72/12/87/607721287.db2.gz MMHWLSNJAGOOKJ-UHFFFAOYSA-N -1 3 381.421 2.577 20 50 GFGDHM Cc1oc(-c2ccsc2)nc1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826340836 607721289 /nfs/dbraw/zinc/72/12/89/607721289.db2.gz MMHWLSNJAGOOKJ-UHFFFAOYSA-N -1 3 381.421 2.577 20 50 GFGDHM Cc1ccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826285871 607807827 /nfs/dbraw/zinc/80/78/27/607807827.db2.gz MBJVKEXGKPZAHS-UHFFFAOYSA-N -1 3 385.225 2.702 20 50 GFGDHM Cc1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826285871 607807828 /nfs/dbraw/zinc/80/78/28/607807828.db2.gz MBJVKEXGKPZAHS-UHFFFAOYSA-N -1 3 385.225 2.702 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NCC2CCC(C)(C)CC2)cc(-c2nnn[n-]2)n1C ZINC000826235740 608008673 /nfs/dbraw/zinc/00/86/73/608008673.db2.gz PZLCFBBDCKTLLJ-CXUHLZMHSA-N -1 3 381.484 2.753 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NCC2CCC(C)(C)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235740 608008674 /nfs/dbraw/zinc/00/86/74/608008674.db2.gz PZLCFBBDCKTLLJ-CXUHLZMHSA-N -1 3 381.484 2.753 20 50 GFGDHM CCOc1ccc([N+](=O)[O-])cc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825643284 608214903 /nfs/dbraw/zinc/21/49/03/608214903.db2.gz KSSNEAMNFLCZGU-OQLLNIDSSA-N -1 3 390.359 2.963 20 50 GFGDHM CCOc1ccc([N+](=O)[O-])cc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825643284 608214904 /nfs/dbraw/zinc/21/49/04/608214904.db2.gz KSSNEAMNFLCZGU-OQLLNIDSSA-N -1 3 390.359 2.963 20 50 GFGDHM CC(C)(C)OC(=O)c1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824114519 608816026 /nfs/dbraw/zinc/81/60/26/608816026.db2.gz VTWZKLIWWYJTFX-UHFFFAOYSA-N -1 3 380.408 2.579 20 50 GFGDHM CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948187 609157495 /nfs/dbraw/zinc/15/74/95/609157495.db2.gz GDCVIGHXHNYVSA-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948187 609157497 /nfs/dbraw/zinc/15/74/97/609157497.db2.gz GDCVIGHXHNYVSA-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM CC(C)N1CCN(c2ccc(C(=O)NNc3ccccc3C(=O)[O-])cc2)CC1 ZINC000833498839 605283430 /nfs/dbraw/zinc/28/34/30/605283430.db2.gz HUYDMAMYUZEHDE-UHFFFAOYSA-N -1 3 382.464 2.672 20 50 GFGDHM COc1cccc(CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C2CC2)c1 ZINC000826215092 607783085 /nfs/dbraw/zinc/78/30/85/607783085.db2.gz GMACEULBCSKHJP-UHFFFAOYSA-N -1 3 376.420 2.614 20 50 GFGDHM COc1cccc(CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C2CC2)c1 ZINC000826215092 607783086 /nfs/dbraw/zinc/78/30/86/607783086.db2.gz GMACEULBCSKHJP-UHFFFAOYSA-N -1 3 376.420 2.614 20 50 GFGDHM N#CCc1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000826382073 607995767 /nfs/dbraw/zinc/99/57/67/607995767.db2.gz NEAMDRRAALIESM-UHFFFAOYSA-N -1 3 387.325 2.708 20 50 GFGDHM N#CCc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000826382073 607995768 /nfs/dbraw/zinc/99/57/68/607995768.db2.gz NEAMDRRAALIESM-UHFFFAOYSA-N -1 3 387.325 2.708 20 50 GFGDHM O=C(NCC1(c2ccccc2Cl)CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826434604 608173287 /nfs/dbraw/zinc/17/32/87/608173287.db2.gz RHIVLGOCVOKUOC-UHFFFAOYSA-N -1 3 383.843 2.878 20 50 GFGDHM O=C(NCC1(c2ccccc2Cl)CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826434604 608173289 /nfs/dbraw/zinc/17/32/89/608173289.db2.gz RHIVLGOCVOKUOC-UHFFFAOYSA-N -1 3 383.843 2.878 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cccc(Br)c12 ZINC000826448175 608199236 /nfs/dbraw/zinc/19/92/36/608199236.db2.gz KYKOIBKAYOGVCV-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cccc(Br)c12 ZINC000826448175 608199237 /nfs/dbraw/zinc/19/92/37/608199237.db2.gz KYKOIBKAYOGVCV-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM COCCn1ccc2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000826163678 608211562 /nfs/dbraw/zinc/21/15/62/608211562.db2.gz FZCSSOAPXQHQMW-UHFFFAOYSA-N -1 3 392.423 2.616 20 50 GFGDHM COCCn1ccc2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000826163678 608211565 /nfs/dbraw/zinc/21/15/65/608211565.db2.gz FZCSSOAPXQHQMW-UHFFFAOYSA-N -1 3 392.423 2.616 20 50 GFGDHM C[C@@H](CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1 ZINC000824384566 608256309 /nfs/dbraw/zinc/25/63/09/608256309.db2.gz DVRXNHPWCGLFQG-GFCCVEGCSA-N -1 3 398.854 2.550 20 50 GFGDHM C[C@@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000824384566 608256310 /nfs/dbraw/zinc/25/63/10/608256310.db2.gz DVRXNHPWCGLFQG-GFCCVEGCSA-N -1 3 398.854 2.550 20 50 GFGDHM CC(C)(C)OC(=O)c1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824114630 608494645 /nfs/dbraw/zinc/49/46/45/608494645.db2.gz XMWJEMNHQVKYBW-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM CC(C)(C)OC(=O)c1ccccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824114630 608494646 /nfs/dbraw/zinc/49/46/46/608494646.db2.gz XMWJEMNHQVKYBW-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM CCCOc1ccc2[nH]cc(C=NNC(=O)c3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000825341716 608534006 /nfs/dbraw/zinc/53/40/06/608534006.db2.gz IXTBVVBYLWZORE-UHFFFAOYSA-N -1 3 389.419 2.901 20 50 GFGDHM CCCOc1ccc2[nH]cc(C=NNC(=O)c3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000825341716 608534007 /nfs/dbraw/zinc/53/40/07/608534007.db2.gz IXTBVVBYLWZORE-UHFFFAOYSA-N -1 3 389.419 2.901 20 50 GFGDHM CCCOc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cc1 ZINC000825338736 608653710 /nfs/dbraw/zinc/65/37/10/608653710.db2.gz HAEQJTAKJYPPOK-GDNBJRDFSA-N -1 3 391.435 2.848 20 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/nfs/dbraw/zinc/40/27/64/609402764.db2.gz LYIFFWCKXZAMSP-LZYBPNLTSA-N -1 3 375.436 2.930 20 50 GFGDHM CCc1cc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)ccc1C ZINC000825700600 609402765 /nfs/dbraw/zinc/40/27/65/609402765.db2.gz LYIFFWCKXZAMSP-LZYBPNLTSA-N -1 3 375.436 2.930 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccc(Cl)s2)on1 ZINC000826448195 607336044 /nfs/dbraw/zinc/33/60/44/607336044.db2.gz LLWKFOBYKFKCPD-UHFFFAOYSA-N -1 3 387.812 2.994 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccc(Cl)s2)on1 ZINC000826448195 607336046 /nfs/dbraw/zinc/33/60/46/607336046.db2.gz LLWKFOBYKFKCPD-UHFFFAOYSA-N -1 3 387.812 2.994 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000826447137 607342585 /nfs/dbraw/zinc/34/25/85/607342585.db2.gz PAORALGKVWAVAT-UHFFFAOYSA-N -1 3 386.419 2.687 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ncoc1-c1ccccc1Cl ZINC000826447744 607345091 /nfs/dbraw/zinc/34/50/91/607345091.db2.gz UHJRGPNGOZTSTQ-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826212335 607345508 /nfs/dbraw/zinc/34/55/08/607345508.db2.gz NJXPMHQMXKIMSW-OAHLLOKOSA-N -1 3 378.436 2.829 20 50 GFGDHM CCOc1ccc(OC(C)(C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825642854 607346627 /nfs/dbraw/zinc/34/66/27/607346627.db2.gz CJQMKZSASUIYGF-UHFFFAOYSA-N -1 3 382.424 2.566 20 50 GFGDHM O=C(COc1cc(Cl)ccc1Cl)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826416985 607350519 /nfs/dbraw/zinc/35/05/19/607350519.db2.gz YVAGQDKXFFCCFU-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM C[C@@H](SCC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2[nH]1 ZINC000824756899 607354767 /nfs/dbraw/zinc/35/47/67/607354767.db2.gz RRKSVEQALMVJFC-LLVKDONJSA-N -1 3 394.464 2.681 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NNc2cccc(Cl)c2C)cc(-c2nnn[n-]2)n1C ZINC000826237384 607393148 /nfs/dbraw/zinc/39/31/48/607393148.db2.gz XWACYJTWNNOVPQ-NTUHNPAUSA-N -1 3 396.842 2.526 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NNc2cccc(Cl)c2C)cc(-c2nn[n-]n2)n1C ZINC000826237384 607393150 /nfs/dbraw/zinc/39/31/50/607393150.db2.gz XWACYJTWNNOVPQ-NTUHNPAUSA-N -1 3 396.842 2.526 20 50 GFGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNc1ccc(Cl)cc1Cl ZINC000826412855 607712280 /nfs/dbraw/zinc/71/22/80/607712280.db2.gz GKFLMERUNOCWIA-UHFFFAOYSA-N -1 3 378.223 2.729 20 50 GFGDHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824753943 607713533 /nfs/dbraw/zinc/71/35/33/607713533.db2.gz GQFZFCJWWOECNW-SNVBAGLBSA-N -1 3 392.341 2.796 20 50 GFGDHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824753943 607713534 /nfs/dbraw/zinc/71/35/34/607713534.db2.gz GQFZFCJWWOECNW-SNVBAGLBSA-N -1 3 392.341 2.796 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000826448305 607723039 /nfs/dbraw/zinc/72/30/39/607723039.db2.gz QDHBBJQTJLGSQK-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000826448305 607723040 /nfs/dbraw/zinc/72/30/40/607723040.db2.gz QDHBBJQTJLGSQK-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM CCc1nc2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2nc1CC ZINC000825749394 607729268 /nfs/dbraw/zinc/72/92/68/607729268.db2.gz DEZUHIVTKLLYJO-UHFFFAOYSA-N -1 3 388.435 2.692 20 50 GFGDHM CCc1nc2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2nc1CC ZINC000825749394 607729269 /nfs/dbraw/zinc/72/92/69/607729269.db2.gz DEZUHIVTKLLYJO-UHFFFAOYSA-N -1 3 388.435 2.692 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnc(C2CC2)s1 ZINC000823280607 606129204 /nfs/dbraw/zinc/12/92/04/606129204.db2.gz CZRPJKTYYLDSOP-UHFFFAOYSA-N -1 3 395.370 2.976 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cnc(C2CC2)s1 ZINC000823280607 606129205 /nfs/dbraw/zinc/12/92/05/606129205.db2.gz CZRPJKTYYLDSOP-UHFFFAOYSA-N -1 3 395.370 2.976 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(Cl)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259937 609142778 /nfs/dbraw/zinc/14/27/78/609142778.db2.gz NMTBIJQWDJSHBN-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(Cl)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259937 609142781 /nfs/dbraw/zinc/14/27/81/609142781.db2.gz NMTBIJQWDJSHBN-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953718 609275342 /nfs/dbraw/zinc/27/53/42/609275342.db2.gz MZIPYESLKJSDQO-UHFFFAOYSA-N -1 3 377.383 2.652 20 50 GFGDHM CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953718 609275343 /nfs/dbraw/zinc/27/53/43/609275343.db2.gz MZIPYESLKJSDQO-UHFFFAOYSA-N -1 3 377.383 2.652 20 50 GFGDHM CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825717121 607335803 /nfs/dbraw/zinc/33/58/03/607335803.db2.gz GMBRPSZPCJWABZ-UHFFFAOYSA-N -1 3 395.492 2.677 20 50 GFGDHM CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825717121 607335805 /nfs/dbraw/zinc/33/58/05/607335805.db2.gz GMBRPSZPCJWABZ-UHFFFAOYSA-N -1 3 395.492 2.677 20 50 GFGDHM O=C(COc1ccc(Cl)cc1Cl)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826417771 607339711 /nfs/dbraw/zinc/33/97/11/607339711.db2.gz FCFVMZCSFCXYHW-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(Br)c1 ZINC000826446884 607342202 /nfs/dbraw/zinc/34/22/02/607342202.db2.gz CKZKRWZEICHBER-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM CC(C)(C)n1ncc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1C(F)(F)F ZINC000824152332 607354526 /nfs/dbraw/zinc/35/45/26/607354526.db2.gz ANWLVCLQCFCHAX-UHFFFAOYSA-N -1 3 394.361 2.594 20 50 GFGDHM O=C(CCC(=O)c1ccc2c(c1)CCCC2)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405061 607722736 /nfs/dbraw/zinc/72/27/36/607722736.db2.gz UVTCGBLAOUEDDD-UHFFFAOYSA-N -1 3 390.447 2.852 20 50 GFGDHM O=C(CCC(=O)c1ccc2c(c1)CCCC2)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405061 607722737 /nfs/dbraw/zinc/72/27/37/607722737.db2.gz UVTCGBLAOUEDDD-UHFFFAOYSA-N -1 3 390.447 2.852 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(=O)c1cccs1 ZINC000826448826 607728702 /nfs/dbraw/zinc/72/87/02/607728702.db2.gz NPUDCAKZAMEBJR-UHFFFAOYSA-N -1 3 390.428 2.916 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(=O)c1cccs1 ZINC000826448826 607728705 /nfs/dbraw/zinc/72/87/05/607728705.db2.gz NPUDCAKZAMEBJR-UHFFFAOYSA-N -1 3 390.428 2.916 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCc2ccc(C)cc2)cc(-c2nnn[n-]2)n1C ZINC000826287079 608145757 /nfs/dbraw/zinc/14/57/57/608145757.db2.gz BSCVIEJYZLBTAQ-WQRHYEAKSA-N -1 3 390.447 2.905 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCc2ccc(C)cc2)cc(-c2nn[n-]n2)n1C ZINC000826287079 608145758 /nfs/dbraw/zinc/14/57/58/608145758.db2.gz BSCVIEJYZLBTAQ-WQRHYEAKSA-N -1 3 390.447 2.905 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCSC(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235982 608476356 /nfs/dbraw/zinc/47/63/56/608476356.db2.gz WARGOYJLYPKBLY-ZROIWOOFSA-N -1 3 388.497 2.886 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCSC(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235982 608476357 /nfs/dbraw/zinc/47/63/57/608476357.db2.gz WARGOYJLYPKBLY-ZROIWOOFSA-N -1 3 388.497 2.886 20 50 GFGDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NN=c1[nH]c2ccccc2s1 ZINC000826186556 608809356 /nfs/dbraw/zinc/80/93/56/608809356.db2.gz ZAVDZFPPEXVXHT-UHFFFAOYSA-N -1 3 382.409 2.634 20 50 GFGDHM C[C@@H](c1ccccc1)n1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824771152 608815656 /nfs/dbraw/zinc/81/56/56/608815656.db2.gz PRNBVECQLGJNSU-ZDUSSCGKSA-N -1 3 389.423 2.821 20 50 GFGDHM C[C@@H](c1ccccc1)n1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824771152 608815660 /nfs/dbraw/zinc/81/56/60/608815660.db2.gz PRNBVECQLGJNSU-ZDUSSCGKSA-N -1 3 389.423 2.821 20 50 GFGDHM CC(=NNC(=O)CNc1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948646 609275238 /nfs/dbraw/zinc/27/52/38/609275238.db2.gz SYZDUEGDQSBUMK-UHFFFAOYSA-N -1 3 381.415 2.575 20 50 GFGDHM CC(=NNC(=O)CNc1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948646 609275240 /nfs/dbraw/zinc/27/52/40/609275240.db2.gz SYZDUEGDQSBUMK-UHFFFAOYSA-N -1 3 381.415 2.575 20 50 GFGDHM Cc1nn(-c2ccccc2)cc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826332679 609356822 /nfs/dbraw/zinc/35/68/22/609356822.db2.gz CIFXEEOMGCGWLT-UHFFFAOYSA-N -1 3 375.396 2.509 20 50 GFGDHM Cc1nn(-c2ccccc2)cc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826332679 609356825 /nfs/dbraw/zinc/35/68/25/609356825.db2.gz CIFXEEOMGCGWLT-UHFFFAOYSA-N -1 3 375.396 2.509 20 50 GFGDHM Cc1nc(SCC(=O)NNc2cccc(F)c2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327322 607339574 /nfs/dbraw/zinc/33/95/74/607339574.db2.gz CPEGQRAATSVJAM-UHFFFAOYSA-N -1 3 387.444 2.561 20 50 GFGDHM Cc1nc(SCC(=O)NNc2cccc(F)c2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327322 607339575 /nfs/dbraw/zinc/33/95/75/607339575.db2.gz CPEGQRAATSVJAM-UHFFFAOYSA-N -1 3 387.444 2.561 20 50 GFGDHM COc1cc(Cl)c(Cl)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826180007 607341912 /nfs/dbraw/zinc/34/19/12/607341912.db2.gz OPFMTXQTGVUQNC-UHFFFAOYSA-N -1 3 379.207 2.939 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000826446231 607342076 /nfs/dbraw/zinc/34/20/76/607342076.db2.gz DZFBVAZWGDJEIW-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2cccc(Cl)c2)no1 ZINC000826446532 607343279 /nfs/dbraw/zinc/34/32/79/607343279.db2.gz PAZRVRQYZJQKPF-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1cc(C)ccc1C ZINC000826283863 607357755 /nfs/dbraw/zinc/35/77/55/607357755.db2.gz CWIWBZWALOVZNZ-UHFFFAOYSA-N -1 3 388.435 2.735 20 50 GFGDHM Cc1cc(F)ccc1NNC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826269060 607393193 /nfs/dbraw/zinc/39/31/93/607393193.db2.gz ZACSOZYKCOSDOF-KRWDZBQOSA-N -1 3 384.415 2.861 20 50 GFGDHM Cc1cc(F)ccc1NNC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826269060 607393195 /nfs/dbraw/zinc/39/31/95/607393195.db2.gz ZACSOZYKCOSDOF-KRWDZBQOSA-N -1 3 384.415 2.861 20 50 GFGDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NNc1cccc2cnccc21 ZINC000826420522 607398131 /nfs/dbraw/zinc/39/81/31/607398131.db2.gz QOGXPEVWWAIVPC-UHFFFAOYSA-N -1 3 391.460 2.791 20 50 GFGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NNc1cccc2cnccc21 ZINC000826420522 607398132 /nfs/dbraw/zinc/39/81/32/607398132.db2.gz QOGXPEVWWAIVPC-UHFFFAOYSA-N -1 3 391.460 2.791 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000826448050 607714248 /nfs/dbraw/zinc/71/42/48/607714248.db2.gz GASPAIIIHUPUKQ-GOSISDBHSA-N -1 3 395.442 2.504 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000826448050 607714250 /nfs/dbraw/zinc/71/42/50/607714250.db2.gz GASPAIIIHUPUKQ-GOSISDBHSA-N -1 3 395.442 2.504 20 50 GFGDHM O=C(CCc1ccc(Br)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408304 607719380 /nfs/dbraw/zinc/71/93/80/607719380.db2.gz AAPUSJSEUDTHBW-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM O=C(CCc1ccc(Br)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408304 607719381 /nfs/dbraw/zinc/71/93/81/607719381.db2.gz AAPUSJSEUDTHBW-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1OCc1ccncc1 ZINC000826448733 607727033 /nfs/dbraw/zinc/72/70/33/607727033.db2.gz ITDCLNXRAVEGCD-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1OCc1ccncc1 ZINC000826448733 607727036 /nfs/dbraw/zinc/72/70/36/607727036.db2.gz ITDCLNXRAVEGCD-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM COc1ccc(C2(C(=O)NNc3cccc(-c4nnn[n-]4)c3)CCCC2)cc1 ZINC000826190030 607731158 /nfs/dbraw/zinc/73/11/58/607731158.db2.gz NNKAYYBVFJKCQD-UHFFFAOYSA-N -1 3 378.436 2.830 20 50 GFGDHM COc1ccc(C2(C(=O)NNc3cccc(-c4nn[n-]n4)c3)CCCC2)cc1 ZINC000826190030 607731160 /nfs/dbraw/zinc/73/11/60/607731160.db2.gz NNKAYYBVFJKCQD-UHFFFAOYSA-N -1 3 378.436 2.830 20 50 GFGDHM O=C(NNc1ncccn1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823285120 606253474 /nfs/dbraw/zinc/25/34/74/606253474.db2.gz NDVLPRWUOARLOK-UHFFFAOYSA-N -1 3 390.432 2.565 20 50 GFGDHM O=C(NNc1ncccn1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823285120 606253475 /nfs/dbraw/zinc/25/34/75/606253475.db2.gz NDVLPRWUOARLOK-UHFFFAOYSA-N -1 3 390.432 2.565 20 50 GFGDHM O=C(NNc1cnccn1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823281011 606276526 /nfs/dbraw/zinc/27/65/26/606276526.db2.gz LRABHTYHAODIEA-UHFFFAOYSA-N -1 3 390.432 2.565 20 50 GFGDHM O=C(NNc1cnccn1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823281011 606276528 /nfs/dbraw/zinc/27/65/28/606276528.db2.gz LRABHTYHAODIEA-UHFFFAOYSA-N -1 3 390.432 2.565 20 50 GFGDHM O=C(NN=Cc1c(Cl)cccc1N1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444865 608110452 /nfs/dbraw/zinc/11/04/52/608110452.db2.gz XXBWWTINHHWORH-UHFFFAOYSA-N -1 3 395.854 2.884 20 50 GFGDHM O=C(NN=Cc1c(Cl)cccc1N1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444865 608110453 /nfs/dbraw/zinc/11/04/53/608110453.db2.gz XXBWWTINHHWORH-UHFFFAOYSA-N -1 3 395.854 2.884 20 50 GFGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNc1c(Cl)cc(F)cc1Cl ZINC000826423652 608450425 /nfs/dbraw/zinc/45/04/25/608450425.db2.gz ZNZPUGNXOFSHDG-UHFFFAOYSA-N -1 3 381.198 2.998 20 50 GFGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNc1c(Cl)cc(F)cc1Cl ZINC000826423652 608450427 /nfs/dbraw/zinc/45/04/27/608450427.db2.gz ZNZPUGNXOFSHDG-UHFFFAOYSA-N -1 3 381.198 2.998 20 50 GFGDHM CCCOc1ccc2[nH]cc(C=NNC(=O)c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000825341812 608534391 /nfs/dbraw/zinc/53/43/91/608534391.db2.gz KTGFLFWOWBNFAB-UHFFFAOYSA-N -1 3 389.419 2.901 20 50 GFGDHM CCCOc1ccc2[nH]cc(C=NNC(=O)c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000825341812 608534393 /nfs/dbraw/zinc/53/43/93/608534393.db2.gz KTGFLFWOWBNFAB-UHFFFAOYSA-N -1 3 389.419 2.901 20 50 GFGDHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CC=C(C#N)CC1 ZINC000824052707 609474029 /nfs/dbraw/zinc/47/40/29/609474029.db2.gz QDVJOEBYYXLOJM-LBPRGKRZSA-N -1 3 397.508 2.680 20 50 GFGDHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1CC=C(C#N)CC1 ZINC000824052707 609474032 /nfs/dbraw/zinc/47/40/32/609474032.db2.gz QDVJOEBYYXLOJM-LBPRGKRZSA-N -1 3 397.508 2.680 20 50 GFGDHM CC(C)CC(=O)Nc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000824228096 607347645 /nfs/dbraw/zinc/34/76/45/607347645.db2.gz FBSQKPKIXPRSQC-UHFFFAOYSA-N -1 3 397.414 2.747 20 50 GFGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c2c(n1)onc2C(C)C ZINC000826260103 607354380 /nfs/dbraw/zinc/35/43/80/607354380.db2.gz WGYRBDQUMRXOJK-UHFFFAOYSA-N -1 3 378.396 2.592 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NNc2cccc(Cl)c2C)cc(-c2nnn[n-]2)n1C ZINC000826237385 607393027 /nfs/dbraw/zinc/39/30/27/607393027.db2.gz XWACYJTWNNOVPQ-QPEQYQDCSA-N -1 3 396.842 2.526 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NNc2cccc(Cl)c2C)cc(-c2nn[n-]n2)n1C ZINC000826237385 607393029 /nfs/dbraw/zinc/39/30/29/607393029.db2.gz XWACYJTWNNOVPQ-QPEQYQDCSA-N -1 3 396.842 2.526 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000826190530 607595134 /nfs/dbraw/zinc/59/51/34/607595134.db2.gz FAHUDSJWTBJDEV-DHDCSXOGSA-N -1 3 391.387 2.534 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000826190530 607595135 /nfs/dbraw/zinc/59/51/35/607595135.db2.gz FAHUDSJWTBJDEV-DHDCSXOGSA-N -1 3 391.387 2.534 20 50 GFGDHM O=C(NNc1cccc(Br)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826449293 607713147 /nfs/dbraw/zinc/71/31/47/607713147.db2.gz KYCWMLQXABUVFZ-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM O=C(NNc1cccc(Br)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826449293 607713149 /nfs/dbraw/zinc/71/31/49/607713149.db2.gz KYCWMLQXABUVFZ-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000826449422 607714715 /nfs/dbraw/zinc/71/47/15/607714715.db2.gz RPJXFATVBGTZLX-UHFFFAOYSA-N -1 3 394.826 2.522 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000826449422 607714717 /nfs/dbraw/zinc/71/47/17/607714717.db2.gz RPJXFATVBGTZLX-UHFFFAOYSA-N -1 3 394.826 2.522 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccccc2F)s1 ZINC000826449376 607730667 /nfs/dbraw/zinc/73/06/67/607730667.db2.gz PEHDKEAZMUACSM-UHFFFAOYSA-N -1 3 381.396 2.886 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccccc2F)s1 ZINC000826449376 607730668 /nfs/dbraw/zinc/73/06/68/607730668.db2.gz PEHDKEAZMUACSM-UHFFFAOYSA-N -1 3 381.396 2.886 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(OCc2cccnc2)c1 ZINC000826448636 607732402 /nfs/dbraw/zinc/73/24/02/607732402.db2.gz DUQCAJNAMZDFEO-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(OCc2cccnc2)c1 ZINC000826448636 607732404 /nfs/dbraw/zinc/73/24/04/607732404.db2.gz DUQCAJNAMZDFEO-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NN=Cc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444709 607888005 /nfs/dbraw/zinc/88/80/05/607888005.db2.gz QWJJJYBPDVRNKJ-UHFFFAOYSA-N -1 3 375.417 2.754 20 50 GFGDHM O=C(NN=Cc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444709 607888006 /nfs/dbraw/zinc/88/80/06/607888006.db2.gz QWJJJYBPDVRNKJ-UHFFFAOYSA-N -1 3 375.417 2.754 20 50 GFGDHM COc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826209908 607915619 /nfs/dbraw/zinc/91/56/19/607915619.db2.gz WDGBQCZSHMEYCT-GHXNOFRVSA-N -1 3 394.366 2.569 20 50 GFGDHM COc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000826209908 607915620 /nfs/dbraw/zinc/91/56/20/607915620.db2.gz WDGBQCZSHMEYCT-GHXNOFRVSA-N -1 3 394.366 2.569 20 50 GFGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823948254 608053624 /nfs/dbraw/zinc/05/36/24/608053624.db2.gz IUAKIRZSZOBWMU-LBPRGKRZSA-N -1 3 393.407 2.759 20 50 GFGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823948254 608053625 /nfs/dbraw/zinc/05/36/25/608053625.db2.gz IUAKIRZSZOBWMU-LBPRGKRZSA-N -1 3 393.407 2.759 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948804 608094553 /nfs/dbraw/zinc/09/45/53/608094553.db2.gz YVIDIZFEUAJUAO-UHFFFAOYSA-N -1 3 392.448 2.781 20 50 GFGDHM COCCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826163465 608214871 /nfs/dbraw/zinc/21/48/71/608214871.db2.gz WGZPEKKLRGEQHN-LICLKQGHSA-N -1 3 375.388 2.682 20 50 GFGDHM COCCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826163465 608214872 /nfs/dbraw/zinc/21/48/72/608214872.db2.gz WGZPEKKLRGEQHN-LICLKQGHSA-N -1 3 375.388 2.682 20 50 GFGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1OCC#N ZINC000826178973 608216256 /nfs/dbraw/zinc/21/62/56/608216256.db2.gz SSTFBLRKJAYHBU-SXGWCWSVSA-N -1 3 386.371 2.568 20 50 GFGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1OCC#N ZINC000826178973 608216258 /nfs/dbraw/zinc/21/62/58/608216258.db2.gz SSTFBLRKJAYHBU-SXGWCWSVSA-N -1 3 386.371 2.568 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826215339 608439698 /nfs/dbraw/zinc/43/96/98/608439698.db2.gz MIIMCIFKSRWYME-RIYZIHGNSA-N -1 3 379.351 2.665 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826215339 608439700 /nfs/dbraw/zinc/43/97/00/608439700.db2.gz MIIMCIFKSRWYME-RIYZIHGNSA-N -1 3 379.351 2.665 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(OCC(F)(F)F)c1 ZINC000826448158 608807643 /nfs/dbraw/zinc/80/76/43/608807643.db2.gz KNKBIUPUMQMFOW-UHFFFAOYSA-N -1 3 393.329 2.956 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(OCC(F)(F)F)c1 ZINC000826448158 608807646 /nfs/dbraw/zinc/80/76/46/608807646.db2.gz KNKBIUPUMQMFOW-UHFFFAOYSA-N -1 3 393.329 2.956 20 50 GFGDHM CC(C)(C)OC(=O)c1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824114654 608815882 /nfs/dbraw/zinc/81/58/82/608815882.db2.gz ZDHMIBZTABLGPG-UHFFFAOYSA-N -1 3 380.408 2.579 20 50 GFGDHM CC(C)(C)OC(=O)c1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824114654 608815884 /nfs/dbraw/zinc/81/58/84/608815884.db2.gz ZDHMIBZTABLGPG-UHFFFAOYSA-N -1 3 380.408 2.579 20 50 GFGDHM O=C(NNc1ccccn1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826449441 609263608 /nfs/dbraw/zinc/26/36/08/609263608.db2.gz SOFRUVCZHSIHKT-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1ccccn1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826449441 609263609 /nfs/dbraw/zinc/26/36/09/609263609.db2.gz SOFRUVCZHSIHKT-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM CSc1nc(C(C)C)nc(C)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826231275 607338877 /nfs/dbraw/zinc/33/88/77/607338877.db2.gz DVGKZGMZKWMZCY-UHFFFAOYSA-N -1 3 384.469 2.567 20 50 GFGDHM O=C(CCc1cc(Br)cs1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826407841 607354363 /nfs/dbraw/zinc/35/43/63/607354363.db2.gz DIGJNTKLJNMPDV-UHFFFAOYSA-N -1 3 393.270 2.767 20 50 GFGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC000826249710 607396133 /nfs/dbraw/zinc/39/61/33/607396133.db2.gz PTZDAIVQHHTHPV-UHFFFAOYSA-N -1 3 392.341 2.873 20 50 GFGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC000826249710 607396135 /nfs/dbraw/zinc/39/61/35/607396135.db2.gz PTZDAIVQHHTHPV-UHFFFAOYSA-N -1 3 392.341 2.873 20 50 GFGDHM CCO/C=C(/C#N)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825583318 607525831 /nfs/dbraw/zinc/52/58/31/607525831.db2.gz SXNDHCLALHQTFL-SSZFMOIBSA-N -1 3 390.403 2.828 20 50 GFGDHM CCO/C=C(/C#N)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825583318 607525832 /nfs/dbraw/zinc/52/58/32/607525832.db2.gz SXNDHCLALHQTFL-SSZFMOIBSA-N -1 3 390.403 2.828 20 50 GFGDHM COc1ccc(COC(=O)C(C#N)=Cc2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000826204235 607595387 /nfs/dbraw/zinc/59/53/87/607595387.db2.gz CSGSMQHJKYFACW-CXUHLZMHSA-N -1 3 375.388 2.834 20 50 GFGDHM COc1ccc(COC(=O)C(C#N)=Cc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000826204235 607595389 /nfs/dbraw/zinc/59/53/89/607595389.db2.gz CSGSMQHJKYFACW-CXUHLZMHSA-N -1 3 375.388 2.834 20 50 GFGDHM CCc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(F)cc1 ZINC000825686992 607731489 /nfs/dbraw/zinc/73/14/89/607731489.db2.gz CXBQFEATZVPQQN-UHFFFAOYSA-N -1 3 392.398 2.511 20 50 GFGDHM CCc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccc(F)cc1 ZINC000825686992 607731491 /nfs/dbraw/zinc/73/14/91/607731491.db2.gz CXBQFEATZVPQQN-UHFFFAOYSA-N -1 3 392.398 2.511 20 50 GFGDHM COc1cc(Cl)c(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826180061 607816202 /nfs/dbraw/zinc/81/62/02/607816202.db2.gz QQNHLJWGHKCERY-UHFFFAOYSA-N -1 3 391.218 2.946 20 50 GFGDHM COc1cc(Cl)c(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826180061 607816203 /nfs/dbraw/zinc/81/62/03/607816203.db2.gz QQNHLJWGHKCERY-UHFFFAOYSA-N -1 3 391.218 2.946 20 50 GFGDHM CCSc1ccc(C(C)=NNC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000825674393 607882615 /nfs/dbraw/zinc/88/26/15/607882615.db2.gz KZSAWYHKFANFJQ-UHFFFAOYSA-N -1 3 396.476 2.898 20 50 GFGDHM CCSc1ccc(C(C)=NNC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000825674393 607882616 /nfs/dbraw/zinc/88/26/16/607882616.db2.gz KZSAWYHKFANFJQ-UHFFFAOYSA-N -1 3 396.476 2.898 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NCC2CCC(C)(C)CC2)cc(-c2nnn[n-]2)n1C ZINC000826235741 608008514 /nfs/dbraw/zinc/00/85/14/608008514.db2.gz PZLCFBBDCKTLLJ-SXGWCWSVSA-N -1 3 381.484 2.753 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)NCC2CCC(C)(C)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235741 608008515 /nfs/dbraw/zinc/00/85/15/608008515.db2.gz PZLCFBBDCKTLLJ-SXGWCWSVSA-N -1 3 381.484 2.753 20 50 GFGDHM O=C(NN=Cc1c(Cl)cccc1N1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444815 608110518 /nfs/dbraw/zinc/11/05/18/608110518.db2.gz VRMODQBMBUWGAP-UHFFFAOYSA-N -1 3 395.854 2.884 20 50 GFGDHM O=C(NN=Cc1c(Cl)cccc1N1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444815 608110519 /nfs/dbraw/zinc/11/05/19/608110519.db2.gz VRMODQBMBUWGAP-UHFFFAOYSA-N -1 3 395.854 2.884 20 50 GFGDHM COc1cc2c(c(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)c1)O[C@H](C)C2 ZINC000826178563 608214656 /nfs/dbraw/zinc/21/46/56/608214656.db2.gz CUIJMGLVWLCMHR-VQGSWFTOSA-N -1 3 387.399 2.989 20 50 GFGDHM COc1cc2c(c(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)c1)O[C@H](C)C2 ZINC000826178563 608214659 /nfs/dbraw/zinc/21/46/59/608214659.db2.gz CUIJMGLVWLCMHR-VQGSWFTOSA-N -1 3 387.399 2.989 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826190591 608216482 /nfs/dbraw/zinc/21/64/82/608216482.db2.gz GOWBZLYHYBLTGE-VGOFMYFVSA-N -1 3 376.332 2.573 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826190591 608216483 /nfs/dbraw/zinc/21/64/83/608216483.db2.gz GOWBZLYHYBLTGE-VGOFMYFVSA-N -1 3 376.332 2.573 20 50 GFGDHM COc1ccc2nc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000826213571 608802281 /nfs/dbraw/zinc/80/22/81/608802281.db2.gz BYGKQYRVXDGGPW-UHFFFAOYSA-N -1 3 382.409 2.634 20 50 GFGDHM COc1ccc2nc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000826213571 608802282 /nfs/dbraw/zinc/80/22/82/608802282.db2.gz BYGKQYRVXDGGPW-UHFFFAOYSA-N -1 3 382.409 2.634 20 50 GFGDHM CC(=O)Nc1ccc(Cl)c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824000024 608806253 /nfs/dbraw/zinc/80/62/53/608806253.db2.gz RAIQXXWJYQEBHI-UHFFFAOYSA-N -1 3 386.803 2.627 20 50 GFGDHM CC(=O)Nc1ccc(Cl)c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824000024 608806255 /nfs/dbraw/zinc/80/62/55/608806255.db2.gz RAIQXXWJYQEBHI-UHFFFAOYSA-N -1 3 386.803 2.627 20 50 GFGDHM O=C(NNc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826447347 608810833 /nfs/dbraw/zinc/81/08/33/608810833.db2.gz BDJREDFYBRXZHA-UHFFFAOYSA-N -1 3 379.302 2.756 20 50 GFGDHM O=C(NNc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826447347 608810834 /nfs/dbraw/zinc/81/08/34/608810834.db2.gz BDJREDFYBRXZHA-UHFFFAOYSA-N -1 3 379.302 2.756 20 50 GFGDHM CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cc1C ZINC000825712626 608828245 /nfs/dbraw/zinc/82/82/45/608828245.db2.gz SUZORWUJRHRSEJ-SXGWCWSVSA-N -1 3 375.436 2.930 20 50 GFGDHM CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cc1C ZINC000825712626 608828247 /nfs/dbraw/zinc/82/82/47/608828247.db2.gz SUZORWUJRHRSEJ-SXGWCWSVSA-N -1 3 375.436 2.930 20 50 GFGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826272783 609262858 /nfs/dbraw/zinc/26/28/58/609262858.db2.gz ANTTVDBFEIAOOR-ZDUSSCGKSA-N -1 3 389.419 2.634 20 50 GFGDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NN=c1ccc2ccccc2[nH]1 ZINC000826420250 609263032 /nfs/dbraw/zinc/26/30/32/609263032.db2.gz FGRXIOXZZGELMI-UHFFFAOYSA-N -1 3 391.460 2.791 20 50 GFGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NN=c1ccc2ccccc2[nH]1 ZINC000826420250 609263033 /nfs/dbraw/zinc/26/30/33/609263033.db2.gz FGRXIOXZZGELMI-UHFFFAOYSA-N -1 3 391.460 2.791 20 50 GFGDHM COc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1C(C)C ZINC000826176842 609297447 /nfs/dbraw/zinc/29/74/47/609297447.db2.gz GZYIZVIRVPFALJ-UHFFFAOYSA-N -1 3 382.424 2.764 20 50 GFGDHM CC[C@H]1C[C@H](CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825182473 609416861 /nfs/dbraw/zinc/41/68/61/609416861.db2.gz KBMSMMJMMSOJTK-PWSUYJOCSA-N -1 3 398.389 2.924 20 50 GFGDHM CC[C@H]1C[C@H](CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825182473 609416863 /nfs/dbraw/zinc/41/68/63/609416863.db2.gz KBMSMMJMMSOJTK-PWSUYJOCSA-N -1 3 398.389 2.924 20 50 GFGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1cccc(Cl)c1 ZINC000826234939 607340614 /nfs/dbraw/zinc/34/06/14/607340614.db2.gz VQVUVXLGQIULBU-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1ccc(C)c(NNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826285086 607388933 /nfs/dbraw/zinc/38/89/33/607388933.db2.gz PGCVNZIJYTZRMR-GOSISDBHSA-N -1 3 377.452 2.596 20 50 GFGDHM O=Cc1cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000826484143 607395441 /nfs/dbraw/zinc/39/54/41/607395441.db2.gz PIAZJTIFYHFWHL-UHFFFAOYSA-N -1 3 382.327 2.516 20 50 GFGDHM O=Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000826484143 607395443 /nfs/dbraw/zinc/39/54/43/607395443.db2.gz PIAZJTIFYHFWHL-UHFFFAOYSA-N -1 3 382.327 2.516 20 50 GFGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNc1ccc(C(F)(F)F)cc1 ZINC000826408796 607635974 /nfs/dbraw/zinc/63/59/74/607635974.db2.gz VOKADWBWBAMCJA-UHFFFAOYSA-N -1 3 376.342 2.961 20 50 GFGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNc1ccc(C(F)(F)F)cc1 ZINC000826408796 607635976 /nfs/dbraw/zinc/63/59/76/607635976.db2.gz VOKADWBWBAMCJA-UHFFFAOYSA-N -1 3 376.342 2.961 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000826449050 607716772 /nfs/dbraw/zinc/71/67/72/607716772.db2.gz ZGKRVPYJPRMQGW-UHFFFAOYSA-N -1 3 386.419 2.687 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000826449050 607716773 /nfs/dbraw/zinc/71/67/73/607716773.db2.gz ZGKRVPYJPRMQGW-UHFFFAOYSA-N -1 3 386.419 2.687 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000826448550 607720288 /nfs/dbraw/zinc/72/02/88/607720288.db2.gz ZOCARNQFRMXTNG-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000826448550 607720290 /nfs/dbraw/zinc/72/02/90/607720290.db2.gz ZOCARNQFRMXTNG-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823280916 606127513 /nfs/dbraw/zinc/12/75/13/606127513.db2.gz IEIFDMPXZGCNNQ-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823280916 606127514 /nfs/dbraw/zinc/12/75/14/606127514.db2.gz IEIFDMPXZGCNNQ-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1noc2c1CCCC2 ZINC000823280792 606129225 /nfs/dbraw/zinc/12/92/25/606129225.db2.gz GHTHKZAITQEJGM-UHFFFAOYSA-N -1 3 393.329 2.509 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1noc2c1CCCC2 ZINC000823280792 606129226 /nfs/dbraw/zinc/12/92/26/606129226.db2.gz GHTHKZAITQEJGM-UHFFFAOYSA-N -1 3 393.329 2.509 20 50 GFGDHM CC(=NNC(=O)c1ccc(Br)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000823947990 608093288 /nfs/dbraw/zinc/09/32/88/608093288.db2.gz AQMAUEQOILRYAM-UHFFFAOYSA-N -1 3 397.283 2.906 20 50 GFGDHM CC(=NNC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948233 608094243 /nfs/dbraw/zinc/09/42/43/608094243.db2.gz IJJPGBSUZNRBDZ-UHFFFAOYSA-N -1 3 375.845 2.805 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C#N)n1C ZINC000826235563 608185930 /nfs/dbraw/zinc/18/59/30/608185930.db2.gz MDCXRZIXVXYJAD-RSQQOUAVSA-N -1 3 387.403 2.597 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc(C#N)n1C ZINC000826235563 608185931 /nfs/dbraw/zinc/18/59/31/608185931.db2.gz MDCXRZIXVXYJAD-RSQQOUAVSA-N -1 3 387.403 2.597 20 50 GFGDHM CC(C)c1ccc(/C=C/CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824347679 608196655 /nfs/dbraw/zinc/19/66/55/608196655.db2.gz KFIUCUZMJSTNNG-ONEGZZNKSA-N -1 3 390.447 2.855 20 50 GFGDHM CC(C)c1ccc(/C=C/CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347679 608196656 /nfs/dbraw/zinc/19/66/56/608196656.db2.gz KFIUCUZMJSTNNG-ONEGZZNKSA-N -1 3 390.447 2.855 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Br)cc1F ZINC000826448266 608803657 /nfs/dbraw/zinc/80/36/57/608803657.db2.gz OLNKBFZFEXHLCQ-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Br)cc1F ZINC000826448266 608803658 /nfs/dbraw/zinc/80/36/58/608803658.db2.gz OLNKBFZFEXHLCQ-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1ccc(F)c(F)c1F ZINC000825627241 608808158 /nfs/dbraw/zinc/80/81/58/608808158.db2.gz WVBLQFLZCWKIHU-UHFFFAOYSA-N -1 3 393.329 2.831 20 50 GFGDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1ccc(F)c(F)c1F ZINC000825627241 608808160 /nfs/dbraw/zinc/80/81/60/608808160.db2.gz WVBLQFLZCWKIHU-UHFFFAOYSA-N -1 3 393.329 2.831 20 50 GFGDHM CCOC(=O)c1sc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825576683 608808773 /nfs/dbraw/zinc/80/87/73/608808773.db2.gz NOQBHPKUMABVBH-UHFFFAOYSA-N -1 3 387.425 2.562 20 50 GFGDHM CCOC(=O)c1sc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825576683 608808774 /nfs/dbraw/zinc/80/87/74/608808774.db2.gz NOQBHPKUMABVBH-UHFFFAOYSA-N -1 3 387.425 2.562 20 50 GFGDHM O=C(NNc1cnccn1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826450159 608810540 /nfs/dbraw/zinc/81/05/40/608810540.db2.gz ZGTDXAINNHHODN-UHFFFAOYSA-N -1 3 389.379 2.598 20 50 GFGDHM O=C(NNc1cnccn1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826450159 608810543 /nfs/dbraw/zinc/81/05/43/608810543.db2.gz ZGTDXAINNHHODN-UHFFFAOYSA-N -1 3 389.379 2.598 20 50 GFGDHM CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824071792 608810631 /nfs/dbraw/zinc/81/06/31/608810631.db2.gz NLEWEGOCXALHCZ-UHFFFAOYSA-N -1 3 395.423 2.858 20 50 GFGDHM CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824071792 608810634 /nfs/dbraw/zinc/81/06/34/608810634.db2.gz NLEWEGOCXALHCZ-UHFFFAOYSA-N -1 3 395.423 2.858 20 50 GFGDHM Cc1c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1F ZINC000826241681 608817684 /nfs/dbraw/zinc/81/76/84/608817684.db2.gz LLSCEHFFRZUADQ-UHFFFAOYSA-N -1 3 393.386 2.649 20 50 GFGDHM Cc1c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1F ZINC000826241681 608817686 /nfs/dbraw/zinc/81/76/86/608817686.db2.gz LLSCEHFFRZUADQ-UHFFFAOYSA-N -1 3 393.386 2.649 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc(CF)cc2)cc(-c2nnn[n-]2)n1C ZINC000826235744 609237708 /nfs/dbraw/zinc/23/77/08/609237708.db2.gz QCVKFMRLWZDEBY-APSNUPSMSA-N -1 3 380.383 2.634 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc(CF)cc2)cc(-c2nn[n-]n2)n1C ZINC000826235744 609237710 /nfs/dbraw/zinc/23/77/10/609237710.db2.gz QCVKFMRLWZDEBY-APSNUPSMSA-N -1 3 380.383 2.634 20 50 GFGDHM CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948554 609275306 /nfs/dbraw/zinc/27/53/06/609275306.db2.gz RRSBPJUMYVGETI-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948554 609275307 /nfs/dbraw/zinc/27/53/07/609275307.db2.gz RRSBPJUMYVGETI-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM CCc1cc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)ccc1C ZINC000825700601 609402265 /nfs/dbraw/zinc/40/22/65/609402265.db2.gz LYIFFWCKXZAMSP-PXNMLYILSA-N -1 3 375.436 2.930 20 50 GFGDHM CCc1cc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)ccc1C ZINC000825700601 609402266 /nfs/dbraw/zinc/40/22/66/609402266.db2.gz LYIFFWCKXZAMSP-PXNMLYILSA-N -1 3 375.436 2.930 20 50 GFGDHM CN(c1ccccc1)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826011111 607335447 /nfs/dbraw/zinc/33/54/47/607335447.db2.gz XNDUXJXARWHJHF-UHFFFAOYSA-N -1 3 386.419 2.787 20 50 GFGDHM CN(c1ccccc1)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826011111 607335449 /nfs/dbraw/zinc/33/54/49/607335449.db2.gz XNDUXJXARWHJHF-UHFFFAOYSA-N -1 3 386.419 2.787 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1ccccc1Br ZINC000826401868 607339610 /nfs/dbraw/zinc/33/96/10/607339610.db2.gz IOLWIMVPGMEYNF-KTKRTIGZSA-N -1 3 385.225 2.786 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccccc1Br ZINC000826401868 607339612 /nfs/dbraw/zinc/33/96/12/607339612.db2.gz IOLWIMVPGMEYNF-KTKRTIGZSA-N -1 3 385.225 2.786 20 50 GFGDHM C=CCOc1ccc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000823932136 607343638 /nfs/dbraw/zinc/34/36/38/607343638.db2.gz PPQKGDPEJANJTD-WZUFQYTHSA-N -1 3 392.419 2.597 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1csc(Cc2ccc(F)cc2)n1 ZINC000826447491 607346355 /nfs/dbraw/zinc/34/63/55/607346355.db2.gz HUKNBJTZQPPFBO-UHFFFAOYSA-N -1 3 395.423 2.810 20 50 GFGDHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824739318 607353710 /nfs/dbraw/zinc/35/37/10/607353710.db2.gz WDWAJEZMLXRUKT-SECBINFHSA-N -1 3 376.779 2.570 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccnc1Cl ZINC000826446182 607395720 /nfs/dbraw/zinc/39/57/20/607395720.db2.gz CLCONNSZPPDJNN-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccnc1Cl ZINC000826446182 607395722 /nfs/dbraw/zinc/39/57/22/607395722.db2.gz CLCONNSZPPDJNN-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccc(C(F)(F)F)cc1 ZINC000824738847 607634988 /nfs/dbraw/zinc/63/49/88/607634988.db2.gz RWRFSJOZLHRIHY-JTQLQIEISA-N -1 3 392.341 2.796 20 50 GFGDHM O=C(C=Cc1ccccc1OC(F)(F)F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826403274 607717553 /nfs/dbraw/zinc/71/75/53/607717553.db2.gz NXNPAEAUOHVDHY-HJWRWDBZSA-N -1 3 390.325 2.922 20 50 GFGDHM O=C(C=Cc1ccccc1OC(F)(F)F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826403274 607717555 /nfs/dbraw/zinc/71/75/55/607717555.db2.gz NXNPAEAUOHVDHY-HJWRWDBZSA-N -1 3 390.325 2.922 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ncoc1-c1ccccc1Cl ZINC000826449514 607719945 /nfs/dbraw/zinc/71/99/45/607719945.db2.gz WOUDTKJTZCRSPP-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ncoc1-c1ccccc1Cl ZINC000826449514 607719947 /nfs/dbraw/zinc/71/99/47/607719947.db2.gz WOUDTKJTZCRSPP-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2cc(Br)ccc2[nH]1 ZINC000826448918 607721943 /nfs/dbraw/zinc/72/19/43/607721943.db2.gz SCCGHNFLHRALTF-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2cc(Br)ccc2[nH]1 ZINC000826448918 607721945 /nfs/dbraw/zinc/72/19/45/607721945.db2.gz SCCGHNFLHRALTF-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM O=C(CCc1ccc(OC(F)(F)F)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408763 607730174 /nfs/dbraw/zinc/73/01/74/607730174.db2.gz UENJHDDOKYSMTF-UHFFFAOYSA-N -1 3 392.341 2.841 20 50 GFGDHM O=C(CCc1ccc(OC(F)(F)F)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408763 607730175 /nfs/dbraw/zinc/73/01/75/607730175.db2.gz UENJHDDOKYSMTF-UHFFFAOYSA-N -1 3 392.341 2.841 20 50 GFGDHM CCC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825043742 607802842 /nfs/dbraw/zinc/80/28/42/607802842.db2.gz KOZFQRIMJOCEOU-UHFFFAOYSA-N -1 3 378.436 2.629 20 50 GFGDHM CCC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825043742 607802843 /nfs/dbraw/zinc/80/28/43/607802843.db2.gz KOZFQRIMJOCEOU-UHFFFAOYSA-N -1 3 378.436 2.629 20 50 GFGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1cc(Cl)ccc1Cl ZINC000826417177 607808196 /nfs/dbraw/zinc/80/81/96/607808196.db2.gz GZVRLCIPFCMOQG-UHFFFAOYSA-N -1 3 391.218 2.703 20 50 GFGDHM CCCCOc1ccc(C(=O)NN=Cc2ccccc2-c2nnn[n-]2)cc1OC ZINC000825291399 607882535 /nfs/dbraw/zinc/88/25/35/607882535.db2.gz QQYXJAVAOXDUDU-UHFFFAOYSA-N -1 3 394.435 2.818 20 50 GFGDHM CCCCOc1ccc(C(=O)NN=Cc2ccccc2-c2nn[n-]n2)cc1OC ZINC000825291399 607882536 /nfs/dbraw/zinc/88/25/36/607882536.db2.gz QQYXJAVAOXDUDU-UHFFFAOYSA-N -1 3 394.435 2.818 20 50 GFGDHM CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824279994 608057717 /nfs/dbraw/zinc/05/77/17/608057717.db2.gz AJLRIQHBPXGCRW-AWEZNQCLSA-N -1 3 392.463 2.630 20 50 GFGDHM CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824279994 608057718 /nfs/dbraw/zinc/05/77/18/608057718.db2.gz AJLRIQHBPXGCRW-AWEZNQCLSA-N -1 3 392.463 2.630 20 50 GFGDHM COc1ccccc1SCC(=O)NN=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC000826221037 608095180 /nfs/dbraw/zinc/09/51/80/608095180.db2.gz LVNFLCBXIWIOJF-UHFFFAOYSA-N -1 3 388.478 2.569 20 50 GFGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1C[C@@H]2CCCc3cccc1c32 ZINC000826417597 608110450 /nfs/dbraw/zinc/11/04/50/608110450.db2.gz XEAFIKVGXXHXIC-HNNXBMFYSA-N -1 3 388.431 2.590 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826191155 608436200 /nfs/dbraw/zinc/43/62/00/608436200.db2.gz YLIINLWDSHTRSX-NTEUORMPSA-N -1 3 379.351 2.665 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826191155 608436202 /nfs/dbraw/zinc/43/62/02/608436202.db2.gz YLIINLWDSHTRSX-NTEUORMPSA-N -1 3 379.351 2.665 20 50 GFGDHM O=C(NNc1cnccn1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826449692 608813026 /nfs/dbraw/zinc/81/30/26/608813026.db2.gz FRDVPIFEMRVYLU-UHFFFAOYSA-N -1 3 389.379 2.598 20 50 GFGDHM O=C(NNc1cnccn1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826449692 608813029 /nfs/dbraw/zinc/81/30/29/608813029.db2.gz FRDVPIFEMRVYLU-UHFFFAOYSA-N -1 3 389.379 2.598 20 50 GFGDHM CC(=NNC(=O)COc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948441 609275220 /nfs/dbraw/zinc/27/52/20/609275220.db2.gz MXBPALBESWQDMQ-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM CC(=NNC(=O)COc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948441 609275222 /nfs/dbraw/zinc/27/52/22/609275222.db2.gz MXBPALBESWQDMQ-UHFFFAOYSA-N -1 3 382.399 2.542 20 50 GFGDHM O=C(CCCc1ncc(-c2ccccc2)o1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407063 607334146 /nfs/dbraw/zinc/33/41/46/607334146.db2.gz ZJPJXGIXSBPDBR-UHFFFAOYSA-N -1 3 389.419 2.988 20 50 GFGDHM O=C(CCCc1ncc(-c2ccccc2)o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407063 607334148 /nfs/dbraw/zinc/33/41/48/607334148.db2.gz ZJPJXGIXSBPDBR-UHFFFAOYSA-N -1 3 389.419 2.988 20 50 GFGDHM CC(C)(C)Oc1cccc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824124546 607336647 /nfs/dbraw/zinc/33/66/47/607336647.db2.gz VCPWWVQBOCSNMO-UHFFFAOYSA-N -1 3 381.440 2.515 20 50 GFGDHM CC(C)(C)Oc1cccc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824124546 607336649 /nfs/dbraw/zinc/33/66/49/607336649.db2.gz VCPWWVQBOCSNMO-UHFFFAOYSA-N -1 3 381.440 2.515 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnc(Cc2ccccc2)s1 ZINC000826449225 607338689 /nfs/dbraw/zinc/33/86/89/607338689.db2.gz IFGGMLJCCGTRTH-UHFFFAOYSA-N -1 3 377.433 2.671 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc(Cc2ccccc2)s1 ZINC000826449225 607338690 /nfs/dbraw/zinc/33/86/90/607338690.db2.gz IFGGMLJCCGTRTH-UHFFFAOYSA-N -1 3 377.433 2.671 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2cc(Br)ccc2[nH]1 ZINC000826447218 607346153 /nfs/dbraw/zinc/34/61/53/607346153.db2.gz URHZJUZFTNDLKP-UHFFFAOYSA-N -1 3 398.224 2.867 20 50 GFGDHM Cc1oc(-c2ccccc2F)nc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826341198 607344771 /nfs/dbraw/zinc/34/47/71/607344771.db2.gz ZZVFLFALNMSJEC-UHFFFAOYSA-N -1 3 379.355 2.726 20 50 GFGDHM Cn1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1-c1ccc(F)cc1 ZINC000826355371 607345948 /nfs/dbraw/zinc/34/59/48/607345948.db2.gz WQNRHGZBSNLNAA-UHFFFAOYSA-N -1 3 377.383 2.768 20 50 GFGDHM CC(C)(C)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000824136019 607348920 /nfs/dbraw/zinc/34/89/20/607348920.db2.gz MAFFBGRDMKCAGA-UHFFFAOYSA-N -1 3 381.396 2.829 20 50 GFGDHM O=C(CCc1ccccc1OC(F)(F)F)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409272 607350720 /nfs/dbraw/zinc/35/07/20/607350720.db2.gz PTGRXDKJHGQKEJ-UHFFFAOYSA-N -1 3 392.341 2.841 20 50 GFGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1CC(c2cccc(Cl)c2)C1 ZINC000826417155 607816434 /nfs/dbraw/zinc/81/64/34/607816434.db2.gz GEFUHIGTJYQLEG-UHFFFAOYSA-N -1 3 396.838 2.949 20 50 GFGDHM Cc1cccc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826298897 608141366 /nfs/dbraw/zinc/14/13/66/608141366.db2.gz JZTVMFKMSQVLLZ-UHFFFAOYSA-N -1 3 393.451 2.554 20 50 GFGDHM Cc1cccc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826298897 608141367 /nfs/dbraw/zinc/14/13/67/608141367.db2.gz JZTVMFKMSQVLLZ-UHFFFAOYSA-N -1 3 393.451 2.554 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCSC(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235981 608476542 /nfs/dbraw/zinc/47/65/42/608476542.db2.gz WARGOYJLYPKBLY-NTEUORMPSA-N -1 3 388.497 2.886 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCSC(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235981 608476543 /nfs/dbraw/zinc/47/65/43/608476543.db2.gz WARGOYJLYPKBLY-NTEUORMPSA-N -1 3 388.497 2.886 20 50 GFGDHM CCOC(=O)C=Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825499977 608806206 /nfs/dbraw/zinc/80/62/06/608806206.db2.gz ZLINNIFMMMWVFY-DHZHZOJOSA-N -1 3 393.407 2.592 20 50 GFGDHM CCOC(=O)C=Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825499977 608806208 /nfs/dbraw/zinc/80/62/08/608806208.db2.gz ZLINNIFMMMWVFY-DHZHZOJOSA-N -1 3 393.407 2.592 20 50 GFGDHM N#Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000826385335 608814690 /nfs/dbraw/zinc/81/46/90/608814690.db2.gz HTYJDCNZKAGSMK-UHFFFAOYSA-N -1 3 388.313 2.906 20 50 GFGDHM N#Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000826385335 608814692 /nfs/dbraw/zinc/81/46/92/608814692.db2.gz HTYJDCNZKAGSMK-UHFFFAOYSA-N -1 3 388.313 2.906 20 50 GFGDHM CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948249 609275270 /nfs/dbraw/zinc/27/52/70/609275270.db2.gz ISBSOYIKWFATAJ-CQSZACIVSA-N -1 3 396.426 2.930 20 50 GFGDHM CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948249 609275272 /nfs/dbraw/zinc/27/52/72/609275272.db2.gz ISBSOYIKWFATAJ-CQSZACIVSA-N -1 3 396.426 2.930 20 50 GFGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823948388 609447804 /nfs/dbraw/zinc/44/78/04/609447804.db2.gz KKHLEIKNKSADSC-UHFFFAOYSA-N -1 3 385.771 2.582 20 50 GFGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823948388 609447806 /nfs/dbraw/zinc/44/78/06/609447806.db2.gz KKHLEIKNKSADSC-UHFFFAOYSA-N -1 3 385.771 2.582 20 50 GFGDHM Cc1cccc(-c2nc(CC(=O)NNc3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000826295284 607340675 /nfs/dbraw/zinc/34/06/75/607340675.db2.gz AIYFQFULRCAKRF-UHFFFAOYSA-N -1 3 391.460 2.984 20 50 GFGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1Cl ZINC000826234741 607340692 /nfs/dbraw/zinc/34/06/92/607340692.db2.gz LVCTWMSRNWZLOD-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1OC(F)F ZINC000826447095 607342598 /nfs/dbraw/zinc/34/25/98/607342598.db2.gz MRFHYOYPWQPAKR-UHFFFAOYSA-N -1 3 380.742 2.878 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1F ZINC000826447322 607353593 /nfs/dbraw/zinc/35/35/93/607353593.db2.gz ZVYCFPQMACKYST-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(Cc2ccccc2)s1 ZINC000826447711 607357232 /nfs/dbraw/zinc/35/72/32/607357232.db2.gz SOMDGQCVWOKZDW-UHFFFAOYSA-N -1 3 377.433 2.671 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccccc2F)n1 ZINC000826449310 607718324 /nfs/dbraw/zinc/71/83/24/607718324.db2.gz LYRJYQCHXLKQAF-UHFFFAOYSA-N -1 3 381.396 2.886 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccccc2F)n1 ZINC000826449310 607718326 /nfs/dbraw/zinc/71/83/26/607718326.db2.gz LYRJYQCHXLKQAF-UHFFFAOYSA-N -1 3 381.396 2.886 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000826447543 607728509 /nfs/dbraw/zinc/72/85/09/607728509.db2.gz KOXRUPLXRZAHHE-UHFFFAOYSA-N -1 3 398.854 2.712 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000826447543 607728511 /nfs/dbraw/zinc/72/85/11/607728511.db2.gz KOXRUPLXRZAHHE-UHFFFAOYSA-N -1 3 398.854 2.712 20 50 GFGDHM 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377.335 2.567 20 50 GFGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1cccc2c1OCCO2 ZINC000826379507 608219692 /nfs/dbraw/zinc/21/96/92/608219692.db2.gz UDNXGUJWNZOGRI-XYOKQWHBSA-N -1 3 377.335 2.567 20 50 GFGDHM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000824038926 608379691 /nfs/dbraw/zinc/37/96/91/608379691.db2.gz BASCBPYTPPYYBE-SNVBAGLBSA-N -1 3 387.241 2.876 20 50 GFGDHM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000824038926 608379693 /nfs/dbraw/zinc/37/96/93/608379693.db2.gz BASCBPYTPPYYBE-SNVBAGLBSA-N -1 3 387.241 2.876 20 50 GFGDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826440160 608800442 /nfs/dbraw/zinc/80/04/42/608800442.db2.gz AYYLHIHCTODBDO-UOWOHEGISA-N -1 3 394.248 2.576 20 50 GFGDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826440160 608800444 /nfs/dbraw/zinc/80/04/44/608800444.db2.gz AYYLHIHCTODBDO-UOWOHEGISA-N -1 3 394.248 2.576 20 50 GFGDHM CSc1cc2c(cc1NC(=O)NNc1cccc(-c3nnn[n-]3)c1)OCCO2 ZINC000826230203 608809521 /nfs/dbraw/zinc/80/95/21/608809521.db2.gz IYVQJPROVNTPQY-UHFFFAOYSA-N -1 3 399.436 2.508 20 50 GFGDHM CSc1cc2c(cc1NC(=O)NNc1cccc(-c3nn[n-]n3)c1)OCCO2 ZINC000826230203 608809522 /nfs/dbraw/zinc/80/95/22/608809522.db2.gz IYVQJPROVNTPQY-UHFFFAOYSA-N -1 3 399.436 2.508 20 50 GFGDHM O=C(NNc1ccccc1F)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826449125 608810154 /nfs/dbraw/zinc/81/01/54/608810154.db2.gz CPPLGNCFXIATGD-UHFFFAOYSA-N -1 3 379.302 2.756 20 50 GFGDHM O=C(NNc1ccccc1F)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826449125 608810157 /nfs/dbraw/zinc/81/01/57/608810157.db2.gz CPPLGNCFXIATGD-UHFFFAOYSA-N -1 3 379.302 2.756 20 50 GFGDHM Cc1coc(-c2cccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000826320000 608817779 /nfs/dbraw/zinc/81/77/79/608817779.db2.gz CCAXQOURNARPHB-UHFFFAOYSA-N -1 3 376.380 2.979 20 50 GFGDHM Cc1coc(-c2cccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000826320000 608817781 /nfs/dbraw/zinc/81/77/81/608817781.db2.gz CCAXQOURNARPHB-UHFFFAOYSA-N -1 3 376.380 2.979 20 50 GFGDHM O=C(NN(c1ccccc1)c1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443868 609192387 /nfs/dbraw/zinc/19/23/87/609192387.db2.gz HOBJGRILXXWAAC-IBGZPJMESA-N -1 3 386.415 2.770 20 50 GFGDHM O=C(NN(c1ccccc1)c1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443868 609192388 /nfs/dbraw/zinc/19/23/88/609192388.db2.gz HOBJGRILXXWAAC-IBGZPJMESA-N -1 3 386.415 2.770 20 50 GFGDHM CSc1ccccc1COC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826231433 609292516 /nfs/dbraw/zinc/29/25/16/609292516.db2.gz LFPCLLCHLIZOEO-NVNXTCNLSA-N -1 3 394.460 2.886 20 50 GFGDHM CSc1ccccc1COC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826231433 609292517 /nfs/dbraw/zinc/29/25/17/609292517.db2.gz LFPCLLCHLIZOEO-NVNXTCNLSA-N -1 3 394.460 2.886 20 50 GFGDHM O=C(NNc1ccnc(F)c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826449196 609301361 /nfs/dbraw/zinc/30/13/61/609301361.db2.gz GLIOFBPXWINBAL-UHFFFAOYSA-N -1 3 375.367 2.825 20 50 GFGDHM O=C(NNc1ccnc(F)c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826449196 609301363 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C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1cccc2c1CCCC2 ZINC000824745618 607392395 /nfs/dbraw/zinc/39/23/95/607392395.db2.gz SHAGQXMFQDRMPV-CYBMUJFWSA-N -1 3 378.436 2.656 20 50 GFGDHM Cc1cc(Br)ccc1NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826256465 607396876 /nfs/dbraw/zinc/39/68/76/607396876.db2.gz KTLOYDYFNCSPEJ-UHFFFAOYSA-N -1 3 387.241 2.623 20 50 GFGDHM Cc1cc(Br)ccc1NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826256465 607396877 /nfs/dbraw/zinc/39/68/77/607396877.db2.gz KTLOYDYFNCSPEJ-UHFFFAOYSA-N -1 3 387.241 2.623 20 50 GFGDHM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826447863 607397206 /nfs/dbraw/zinc/39/72/06/607397206.db2.gz ZGKXCQPHFBQMLH-UHFFFAOYSA-N -1 3 378.314 2.565 20 50 GFGDHM O=C(NNc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826447863 607397208 /nfs/dbraw/zinc/39/72/08/607397208.db2.gz ZGKXCQPHFBQMLH-UHFFFAOYSA-N -1 3 378.314 2.565 20 50 GFGDHM CCOc1ccccc1OCCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825658315 607713608 /nfs/dbraw/zinc/71/36/08/607713608.db2.gz DTXAYJVZHCVCMA-UHFFFAOYSA-N -1 3 382.424 2.568 20 50 GFGDHM CCOc1ccccc1OCCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825658315 607713611 /nfs/dbraw/zinc/71/36/11/607713611.db2.gz DTXAYJVZHCVCMA-UHFFFAOYSA-N -1 3 382.424 2.568 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000826448467 607715900 /nfs/dbraw/zinc/71/59/00/607715900.db2.gz XACWQPAGCXKBTB-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000826448467 607715902 /nfs/dbraw/zinc/71/59/02/607715902.db2.gz XACWQPAGCXKBTB-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(OCc2ccccc2)ccn1 ZINC000826448744 607716433 /nfs/dbraw/zinc/71/64/33/607716433.db2.gz JKFFCLQJOBSYPS-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(OCc2ccccc2)ccn1 ZINC000826448744 607716435 /nfs/dbraw/zinc/71/64/35/607716435.db2.gz JKFFCLQJOBSYPS-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826212597 607720833 /nfs/dbraw/zinc/72/08/33/607720833.db2.gz VKPROXPECJVAKS-CQSZACIVSA-N -1 3 378.436 2.829 20 50 GFGDHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826212597 607720835 /nfs/dbraw/zinc/72/08/35/607720835.db2.gz VKPROXPECJVAKS-CQSZACIVSA-N -1 3 378.436 2.829 20 50 GFGDHM CCOc1ccc(OC(C)(C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825643074 607722381 /nfs/dbraw/zinc/72/23/81/607722381.db2.gz HWWRTMOAFLLVMV-UHFFFAOYSA-N -1 3 382.424 2.566 20 50 GFGDHM CCOc1ccc(OC(C)(C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825643074 607722383 /nfs/dbraw/zinc/72/23/83/607722383.db2.gz HWWRTMOAFLLVMV-UHFFFAOYSA-N -1 3 382.424 2.566 20 50 GFGDHM CC(C)CC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000824228432 607723531 /nfs/dbraw/zinc/72/35/31/607723531.db2.gz IESQXZUZNIHXKW-UHFFFAOYSA-N -1 3 397.414 2.747 20 50 GFGDHM CC(C)CC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000824228432 607723533 /nfs/dbraw/zinc/72/35/33/607723533.db2.gz IESQXZUZNIHXKW-UHFFFAOYSA-N -1 3 397.414 2.747 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Br ZINC000826448991 607728934 /nfs/dbraw/zinc/72/89/34/607728934.db2.gz WQYVGFAFZQDXNI-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Br ZINC000826448991 607728935 /nfs/dbraw/zinc/72/89/35/607728935.db2.gz WQYVGFAFZQDXNI-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(Cc1csc(-c2cccs2)n1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424085 607729812 /nfs/dbraw/zinc/72/98/12/607729812.db2.gz VFMBAONOFLRBCI-UHFFFAOYSA-N -1 3 383.462 2.738 20 50 GFGDHM O=C(Cc1csc(-c2cccs2)n1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424085 607729815 /nfs/dbraw/zinc/72/98/15/607729815.db2.gz VFMBAONOFLRBCI-UHFFFAOYSA-N -1 3 383.462 2.738 20 50 GFGDHM Cc1cc(Cl)cc(C)c1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826267498 607931105 /nfs/dbraw/zinc/93/11/05/607931105.db2.gz IPHYYSACAIZIDA-UHFFFAOYSA-N -1 3 384.827 2.666 20 50 GFGDHM N#CC=C(c1ccc(F)cc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826380463 608066755 /nfs/dbraw/zinc/06/67/55/608066755.db2.gz BHMQZHZVVSQQGN-VPDFPHFYSA-N -1 3 376.395 2.944 20 50 GFGDHM N#CC=C(c1ccc(F)cc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826380463 608066756 /nfs/dbraw/zinc/06/67/56/608066756.db2.gz BHMQZHZVVSQQGN-VPDFPHFYSA-N -1 3 376.395 2.944 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948218 608094122 /nfs/dbraw/zinc/09/41/22/608094122.db2.gz HULUTJPHJDAXJT-UHFFFAOYSA-N -1 3 379.405 2.737 20 50 GFGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNc1c(Cl)cc(F)cc1Cl ZINC000826418607 608451953 /nfs/dbraw/zinc/45/19/53/608451953.db2.gz NYYLSEQGDGRDSI-UHFFFAOYSA-N -1 3 397.197 2.835 20 50 GFGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNc1c(Cl)cc(F)cc1Cl ZINC000826418607 608451954 /nfs/dbraw/zinc/45/19/54/608451954.db2.gz NYYLSEQGDGRDSI-UHFFFAOYSA-N -1 3 397.197 2.835 20 50 GFGDHM CC(C)Oc1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000824328935 608815561 /nfs/dbraw/zinc/81/55/61/608815561.db2.gz DVGIIIVBEVZEPT-UHFFFAOYSA-N -1 3 398.383 2.711 20 50 GFGDHM CC(C)Oc1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000824328935 608815564 /nfs/dbraw/zinc/81/55/64/608815564.db2.gz DVGIIIVBEVZEPT-UHFFFAOYSA-N -1 3 398.383 2.711 20 50 GFGDHM CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948263 609157475 /nfs/dbraw/zinc/15/74/75/609157475.db2.gz IWZYWGOIZRFXNW-AWEZNQCLSA-N -1 3 396.426 2.930 20 50 GFGDHM CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948263 609157477 /nfs/dbraw/zinc/15/74/77/609157477.db2.gz IWZYWGOIZRFXNW-AWEZNQCLSA-N -1 3 396.426 2.930 20 50 GFGDHM CCOc1ccc(C(=O)NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000825631793 609158020 /nfs/dbraw/zinc/15/80/20/609158020.db2.gz GEYPGNCHSKLOGZ-UHFFFAOYSA-N -1 3 398.398 2.567 20 50 GFGDHM CCOc1ccc(C(=O)NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000825631793 609158022 /nfs/dbraw/zinc/15/80/22/609158022.db2.gz GEYPGNCHSKLOGZ-UHFFFAOYSA-N -1 3 398.398 2.567 20 50 GFGDHM CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823947998 609158724 /nfs/dbraw/zinc/15/87/24/609158724.db2.gz BGOBXJHBQOOTGS-UHFFFAOYSA-N -1 3 382.403 2.618 20 50 GFGDHM CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823947998 609158725 /nfs/dbraw/zinc/15/87/25/609158725.db2.gz BGOBXJHBQOOTGS-UHFFFAOYSA-N -1 3 382.403 2.618 20 50 GFGDHM CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948500 609158973 /nfs/dbraw/zinc/15/89/73/609158973.db2.gz PKBRZIYZMWKMEG-UHFFFAOYSA-N -1 3 377.383 2.501 20 50 GFGDHM CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948500 609158975 /nfs/dbraw/zinc/15/89/75/609158975.db2.gz PKBRZIYZMWKMEG-UHFFFAOYSA-N -1 3 377.383 2.501 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1csc(Cc2cccc(F)c2)n1 ZINC000826449391 609165429 /nfs/dbraw/zinc/16/54/29/609165429.db2.gz PQNAYROUXYYFSK-UHFFFAOYSA-N -1 3 395.423 2.810 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1csc(Cc2cccc(F)c2)n1 ZINC000826449391 609165430 /nfs/dbraw/zinc/16/54/30/609165430.db2.gz PQNAYROUXYYFSK-UHFFFAOYSA-N -1 3 395.423 2.810 20 50 GFGDHM CC(C)(C)c1ccc(NNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824136248 609179486 /nfs/dbraw/zinc/17/94/86/609179486.db2.gz OCDHPQIJFIAHIC-UHFFFAOYSA-N -1 3 395.467 2.869 20 50 GFGDHM COc1ccc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826200215 609182089 /nfs/dbraw/zinc/18/20/89/609182089.db2.gz DLEYZYDRLOWJLT-UHFFFAOYSA-N -1 3 395.467 2.999 20 50 GFGDHM COc1ccc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826200215 609182091 /nfs/dbraw/zinc/18/20/91/609182091.db2.gz DLEYZYDRLOWJLT-UHFFFAOYSA-N -1 3 395.467 2.999 20 50 GFGDHM CCCCOC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825290737 609302611 /nfs/dbraw/zinc/30/26/11/609302611.db2.gz GWZKPSQQUBOLQD-GDNBJRDFSA-N -1 3 377.408 2.517 20 50 GFGDHM CCCCOC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825290737 609302613 /nfs/dbraw/zinc/30/26/13/609302613.db2.gz GWZKPSQQUBOLQD-GDNBJRDFSA-N -1 3 377.408 2.517 20 50 GFGDHM O=C(NNC(=O)C1CCCC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826444370 609314822 /nfs/dbraw/zinc/31/48/22/609314822.db2.gz CNAIEZRINYNJKW-UHFFFAOYSA-N -1 3 392.419 2.610 20 50 GFGDHM O=C(NNC(=O)C1CCCC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826444370 609314824 /nfs/dbraw/zinc/31/48/24/609314824.db2.gz CNAIEZRINYNJKW-UHFFFAOYSA-N -1 3 392.419 2.610 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccnc1N1CCCC1 ZINC000826446373 609497939 /nfs/dbraw/zinc/49/79/39/609497939.db2.gz JDEKWSHTLVRQDX-UHFFFAOYSA-N -1 3 399.846 2.664 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccnc1N1CCCC1 ZINC000826446373 609497941 /nfs/dbraw/zinc/49/79/41/609497941.db2.gz JDEKWSHTLVRQDX-UHFFFAOYSA-N -1 3 399.846 2.664 20 50 GFGDHM O=C(NN=C1CCCOc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444720 608389835 /nfs/dbraw/zinc/38/98/35/608389835.db2.gz RGLYWESILSHBKL-UHFFFAOYSA-N -1 3 382.811 2.827 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccc2F)n1 ZINC000826447540 607343809 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2.527 20 50 GFGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NNc1cccc2c1CCCC2 ZINC000826420471 607393913 /nfs/dbraw/zinc/39/39/13/607393913.db2.gz OFGLBWMMEPDZLU-UHFFFAOYSA-N -1 3 380.477 2.981 20 50 GFGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNc1cccc2c1CCCC2 ZINC000826420471 607393915 /nfs/dbraw/zinc/39/39/15/607393915.db2.gz OFGLBWMMEPDZLU-UHFFFAOYSA-N -1 3 380.477 2.981 20 50 GFGDHM CC(=O)C(C)(C)CCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823963162 607394156 /nfs/dbraw/zinc/39/41/56/607394156.db2.gz XEKMBJQGMPJRMB-UHFFFAOYSA-N -1 3 384.362 2.724 20 50 GFGDHM CC(=O)C(C)(C)CCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823963162 607394158 /nfs/dbraw/zinc/39/41/58/607394158.db2.gz XEKMBJQGMPJRMB-UHFFFAOYSA-N -1 3 384.362 2.724 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826190447 607409265 /nfs/dbraw/zinc/40/92/65/607409265.db2.gz BPOVUJFDRQRFDD-LICLKQGHSA-N -1 3 375.388 2.834 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826190447 607409267 /nfs/dbraw/zinc/40/92/67/607409267.db2.gz BPOVUJFDRQRFDD-LICLKQGHSA-N -1 3 375.388 2.834 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(Br)s1 ZINC000826259711 607721436 /nfs/dbraw/zinc/72/14/36/607721436.db2.gz BERYKQPBOSQNDF-UHFFFAOYSA-N -1 3 379.243 2.756 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(Br)s1 ZINC000826259711 607721438 /nfs/dbraw/zinc/72/14/38/607721438.db2.gz BERYKQPBOSQNDF-UHFFFAOYSA-N -1 3 379.243 2.756 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccnc(Cl)c1 ZINC000823280542 606129158 /nfs/dbraw/zinc/12/91/58/606129158.db2.gz ALHSOAKHVUDVEJ-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccnc(Cl)c1 ZINC000823280542 606129159 /nfs/dbraw/zinc/12/91/59/606129159.db2.gz ALHSOAKHVUDVEJ-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825559825 607883318 /nfs/dbraw/zinc/88/33/18/607883318.db2.gz KAALCNIEAIEEHW-PTNGSMBKSA-N -1 3 388.387 2.589 20 50 GFGDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825559825 607883319 /nfs/dbraw/zinc/88/33/19/607883319.db2.gz KAALCNIEAIEEHW-PTNGSMBKSA-N -1 3 388.387 2.589 20 50 GFGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1-n1cncn1 ZINC000826266382 608213829 /nfs/dbraw/zinc/21/38/29/608213829.db2.gz NBHGAUPOECUKOR-IUXPMGMMSA-N -1 3 382.387 2.546 20 50 GFGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1-n1cncn1 ZINC000826266382 608213831 /nfs/dbraw/zinc/21/38/31/608213831.db2.gz NBHGAUPOECUKOR-IUXPMGMMSA-N -1 3 382.387 2.546 20 50 GFGDHM CCc1cccnc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825728577 608382318 /nfs/dbraw/zinc/38/23/18/608382318.db2.gz QKVHDKYPAMUKMT-UHFFFAOYSA-N -1 3 377.330 2.600 20 50 GFGDHM CCc1cccnc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825728577 608382319 /nfs/dbraw/zinc/38/23/19/608382319.db2.gz QKVHDKYPAMUKMT-UHFFFAOYSA-N -1 3 377.330 2.600 20 50 GFGDHM O=C(NN=C1CCCOc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444720 608389837 /nfs/dbraw/zinc/38/98/37/608389837.db2.gz RGLYWESILSHBKL-UHFFFAOYSA-N -1 3 382.811 2.827 20 50 GFGDHM C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000824469618 608802834 /nfs/dbraw/zinc/80/28/34/608802834.db2.gz AUZOGOABSBYIIE-NDIKUOACSA-N -1 3 390.285 2.998 20 50 GFGDHM C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000824469618 608802836 /nfs/dbraw/zinc/80/28/36/608802836.db2.gz AUZOGOABSBYIIE-NDIKUOACSA-N -1 3 390.285 2.998 20 50 GFGDHM CC(C)n1ncc2cc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000824377565 608812495 /nfs/dbraw/zinc/81/24/95/608812495.db2.gz HFFUQKXMKFKINJ-UHFFFAOYSA-N -1 3 377.412 2.946 20 50 GFGDHM CC(C)n1ncc2cc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000824377565 608812498 /nfs/dbraw/zinc/81/24/98/608812498.db2.gz HFFUQKXMKFKINJ-UHFFFAOYSA-N -1 3 377.412 2.946 20 50 GFGDHM CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825642734 608873804 /nfs/dbraw/zinc/87/38/04/608873804.db2.gz AGXHEILJQRAPCL-UKTHLTGXSA-N -1 3 378.367 2.950 20 50 GFGDHM CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825642734 608873808 /nfs/dbraw/zinc/87/38/08/608873808.db2.gz AGXHEILJQRAPCL-UKTHLTGXSA-N -1 3 378.367 2.950 20 50 GFGDHM CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823954022 609276916 /nfs/dbraw/zinc/27/69/16/609276916.db2.gz WMJAEVVDXPMLDK-UHFFFAOYSA-N -1 3 390.325 2.761 20 50 GFGDHM CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823954022 609276917 /nfs/dbraw/zinc/27/69/17/609276917.db2.gz WMJAEVVDXPMLDK-UHFFFAOYSA-N -1 3 390.325 2.761 20 50 GFGDHM O=C(NNc1ccnc(F)c1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826449394 609301725 /nfs/dbraw/zinc/30/17/25/609301725.db2.gz PWRXQKPWILINRJ-UHFFFAOYSA-N -1 3 391.366 2.950 20 50 GFGDHM O=C(NNc1ccnc(F)c1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826449394 609301726 /nfs/dbraw/zinc/30/17/26/609301726.db2.gz PWRXQKPWILINRJ-UHFFFAOYSA-N -1 3 391.366 2.950 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(OCc2ccccc2)ccn1 ZINC000826447217 607342601 /nfs/dbraw/zinc/34/26/01/607342601.db2.gz UREDHYXOTIYHJI-UHFFFAOYSA-N -1 3 387.403 2.598 20 50 GFGDHM COc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1OCC(C)C ZINC000826177254 607344430 /nfs/dbraw/zinc/34/44/30/607344430.db2.gz ZUVBIVUECJOJIW-UHFFFAOYSA-N -1 3 382.424 2.667 20 50 GFGDHM Cc1cc(C(=O)NNc2ccc(C#N)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260139 607354282 /nfs/dbraw/zinc/35/42/82/607354282.db2.gz YFBZWOUWBDRFMQ-UHFFFAOYSA-N -1 3 398.430 2.903 20 50 GFGDHM O=C(NNc1ccc(Br)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826447768 607358439 /nfs/dbraw/zinc/35/84/39/607358439.db2.gz VDCKIHBONROPBJ-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1ccc(Br)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826447768 607358441 /nfs/dbraw/zinc/35/84/41/607358441.db2.gz VDCKIHBONROPBJ-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CC1(Cl)Cl ZINC000826446371 607395376 /nfs/dbraw/zinc/39/53/76/607395376.db2.gz JCCOTORZDRAYCA-QMMMGPOBSA-N -1 3 381.145 2.522 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CC1(Cl)Cl ZINC000826446371 607395377 /nfs/dbraw/zinc/39/53/77/607395377.db2.gz JCCOTORZDRAYCA-QMMMGPOBSA-N -1 3 381.145 2.522 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826402599 607397363 /nfs/dbraw/zinc/39/73/63/607397363.db2.gz XVBRUMZKVTZTRI-YVMONPNESA-N -1 3 385.771 2.585 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826402599 607397364 /nfs/dbraw/zinc/39/73/64/607397364.db2.gz XVBRUMZKVTZTRI-YVMONPNESA-N -1 3 385.771 2.585 20 50 GFGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2 ZINC000826249467 607650446 /nfs/dbraw/zinc/65/04/46/607650446.db2.gz DZKYEFIFZAFLJJ-UHFFFAOYSA-N -1 3 396.476 2.580 20 50 GFGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2 ZINC000826249467 607650447 /nfs/dbraw/zinc/65/04/47/607650447.db2.gz DZKYEFIFZAFLJJ-UHFFFAOYSA-N -1 3 396.476 2.580 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Br)ccc1F ZINC000826448963 607713130 /nfs/dbraw/zinc/71/31/30/607713130.db2.gz VFMAYYDKXUONMV-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Br)ccc1F ZINC000826448963 607713132 /nfs/dbraw/zinc/71/31/32/607713132.db2.gz VFMAYYDKXUONMV-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM Cn1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1-c1ccc(F)cc1 ZINC000826355153 607721192 /nfs/dbraw/zinc/72/11/92/607721192.db2.gz MJVQCJJPGUQTPP-UHFFFAOYSA-N -1 3 377.383 2.768 20 50 GFGDHM Cn1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1-c1ccc(F)cc1 ZINC000826355153 607721195 /nfs/dbraw/zinc/72/11/95/607721195.db2.gz MJVQCJJPGUQTPP-UHFFFAOYSA-N -1 3 377.383 2.768 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2[nH]cnc2c1 ZINC000823280559 606127356 /nfs/dbraw/zinc/12/73/56/606127356.db2.gz AXNBEIYRMVREAR-UHFFFAOYSA-N -1 3 388.313 2.519 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2[nH]cnc2c1 ZINC000823280559 606127358 /nfs/dbraw/zinc/12/73/58/606127358.db2.gz AXNBEIYRMVREAR-UHFFFAOYSA-N -1 3 388.313 2.519 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000823281822 607109998 /nfs/dbraw/zinc/10/99/98/607109998.db2.gz YSXYEAOSPKQSKF-CQSZACIVSA-N -1 3 391.357 2.666 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000823281822 607109999 /nfs/dbraw/zinc/10/99/99/607109999.db2.gz YSXYEAOSPKQSKF-CQSZACIVSA-N -1 3 391.357 2.666 20 50 GFGDHM CC(=NNC(=O)c1cc(C)nc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823948655 608091667 /nfs/dbraw/zinc/09/16/67/608091667.db2.gz TYBLTFQPYBVDJH-UHFFFAOYSA-N -1 3 377.433 2.939 20 50 GFGDHM Cc1cn(-c2ccccc2Cl)nc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826316872 608381061 /nfs/dbraw/zinc/38/10/61/608381061.db2.gz BUMQVXJAVVGUFW-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1cn(-c2ccccc2Cl)nc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826316872 608381062 /nfs/dbraw/zinc/38/10/62/608381062.db2.gz BUMQVXJAVVGUFW-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2cccc(F)c2F)cc(-c2nnn[n-]2)n1C ZINC000826235709 608385613 /nfs/dbraw/zinc/38/56/13/608385613.db2.gz PKCBFGJMSUYMGO-BNDQCTAISA-N -1 3 397.389 2.576 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2cccc(F)c2F)cc(-c2nn[n-]n2)n1C ZINC000826235709 608385615 /nfs/dbraw/zinc/38/56/15/608385615.db2.gz PKCBFGJMSUYMGO-BNDQCTAISA-N -1 3 397.389 2.576 20 50 GFGDHM N#CC1=CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000826381067 608387300 /nfs/dbraw/zinc/38/73/00/608387300.db2.gz WOKSUNLVNNICCV-UHFFFAOYSA-N -1 3 386.415 2.742 20 50 GFGDHM N#CC1=CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000826381067 608387301 /nfs/dbraw/zinc/38/73/01/608387301.db2.gz WOKSUNLVNNICCV-UHFFFAOYSA-N -1 3 386.415 2.742 20 50 GFGDHM Cc1ccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826285502 608473982 /nfs/dbraw/zinc/47/39/82/608473982.db2.gz BJIKPTDPZNVPCT-UHFFFAOYSA-N -1 3 385.225 2.702 20 50 GFGDHM Cc1ccc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826285502 608473984 /nfs/dbraw/zinc/47/39/84/608473984.db2.gz BJIKPTDPZNVPCT-UHFFFAOYSA-N -1 3 385.225 2.702 20 50 GFGDHM CCOc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC000825643140 608804794 /nfs/dbraw/zinc/80/47/94/608804794.db2.gz JBVXZLWCLDYXAE-UHFFFAOYSA-N -1 3 383.412 2.813 20 50 GFGDHM CCOc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC000825643140 608804796 /nfs/dbraw/zinc/80/47/96/608804796.db2.gz JBVXZLWCLDYXAE-UHFFFAOYSA-N -1 3 383.412 2.813 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cnn(-c2ccccc2Cl)c1 ZINC000826448184 608815086 /nfs/dbraw/zinc/81/50/86/608815086.db2.gz LBBQWIMGTKMRGT-UHFFFAOYSA-N -1 3 395.814 2.854 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cnn(-c2ccccc2Cl)c1 ZINC000826448184 608815088 /nfs/dbraw/zinc/81/50/88/608815088.db2.gz LBBQWIMGTKMRGT-UHFFFAOYSA-N -1 3 395.814 2.854 20 50 GFGDHM CC(=O)Nc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000823999510 608876289 /nfs/dbraw/zinc/87/62/89/608876289.db2.gz DKRVDUYIIFLDBY-JYRVWZFOSA-N -1 3 391.366 2.510 20 50 GFGDHM CC(=O)Nc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000823999510 608876291 /nfs/dbraw/zinc/87/62/91/608876291.db2.gz DKRVDUYIIFLDBY-JYRVWZFOSA-N -1 3 391.366 2.510 20 50 GFGDHM Cc1cc(NNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)ncn1 ZINC000826271592 609405040 /nfs/dbraw/zinc/40/50/40/609405040.db2.gz YDNGSOUKKXWEDO-UHFFFAOYSA-N -1 3 388.391 2.514 20 50 GFGDHM Cc1cc(NNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)ncn1 ZINC000826271592 609405041 /nfs/dbraw/zinc/40/50/41/609405041.db2.gz YDNGSOUKKXWEDO-UHFFFAOYSA-N -1 3 388.391 2.514 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccccc2F)s1 ZINC000826447523 607352190 /nfs/dbraw/zinc/35/21/90/607352190.db2.gz JTMLTACMAOCLLQ-UHFFFAOYSA-N -1 3 381.396 2.886 20 50 GFGDHM O=C(CSc1nccc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826421313 607352956 /nfs/dbraw/zinc/35/29/56/607352956.db2.gz BNZIFCPMKSEZGU-UHFFFAOYSA-N -1 3 377.433 2.650 20 50 GFGDHM COc1ccccc1-c1nc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826218296 607353840 /nfs/dbraw/zinc/35/38/40/607353840.db2.gz XTOITDHSAIWYBY-UHFFFAOYSA-N -1 3 393.432 2.756 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1NC(=O)c1ccccc1 ZINC000826457642 607354748 /nfs/dbraw/zinc/35/47/48/607354748.db2.gz KIIMCSDESNOTTD-UHFFFAOYSA-N -1 3 399.414 2.876 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1ccc(OC(F)(F)F)cc1 ZINC000826402417 607391707 /nfs/dbraw/zinc/39/17/07/607391707.db2.gz TXJFGKNFXKPRSP-YHYXMXQVSA-N -1 3 390.325 2.922 20 50 GFGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccc(OC(F)(F)F)cc1 ZINC000826402417 607391708 /nfs/dbraw/zinc/39/17/08/607391708.db2.gz TXJFGKNFXKPRSP-YHYXMXQVSA-N -1 3 390.325 2.922 20 50 GFGDHM CC(C)(C)C(=O)Nc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824071798 607716301 /nfs/dbraw/zinc/71/63/01/607716301.db2.gz NOVBYJHLNHBZQL-UHFFFAOYSA-N -1 3 379.424 2.608 20 50 GFGDHM CC(C)(C)C(=O)Nc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824071798 607716303 /nfs/dbraw/zinc/71/63/03/607716303.db2.gz NOVBYJHLNHBZQL-UHFFFAOYSA-N -1 3 379.424 2.608 20 50 GFGDHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(CCCl)cc1 ZINC000823594032 607144742 /nfs/dbraw/zinc/14/47/42/607144742.db2.gz AMPDZTPUQHZQHH-UHFFFAOYSA-N -1 3 382.804 2.555 20 50 GFGDHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(CCCl)cc1 ZINC000823594032 607144743 /nfs/dbraw/zinc/14/47/43/607144743.db2.gz AMPDZTPUQHZQHH-UHFFFAOYSA-N -1 3 382.804 2.555 20 50 GFGDHM CC(C)c1ccc(CC=NNC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000824347637 608016101 /nfs/dbraw/zinc/01/61/01/608016101.db2.gz IFDQBBYKZIUKCG-UHFFFAOYSA-N -1 3 378.436 2.714 20 50 GFGDHM CC(C)c1ccc(CC=NNC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000824347637 608016102 /nfs/dbraw/zinc/01/61/02/608016102.db2.gz IFDQBBYKZIUKCG-UHFFFAOYSA-N -1 3 378.436 2.714 20 50 GFGDHM Cc1c(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cnn1C(C)C ZINC000826234911 608164751 /nfs/dbraw/zinc/16/47/51/608164751.db2.gz TWLSWYPFIGLYOB-UHFFFAOYSA-N -1 3 394.361 2.728 20 50 GFGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cnn1C(C)C ZINC000826234911 608164752 /nfs/dbraw/zinc/16/47/52/608164752.db2.gz TWLSWYPFIGLYOB-UHFFFAOYSA-N -1 3 394.361 2.728 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826191156 608436664 /nfs/dbraw/zinc/43/66/64/608436664.db2.gz YLIINLWDSHTRSX-ZROIWOOFSA-N -1 3 379.351 2.665 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826191156 608436665 /nfs/dbraw/zinc/43/66/65/608436665.db2.gz YLIINLWDSHTRSX-ZROIWOOFSA-N -1 3 379.351 2.665 20 50 GFGDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826465020 608810931 /nfs/dbraw/zinc/81/09/31/608810931.db2.gz VQSKGPHTKOMQJS-NORZTCDRSA-N -1 3 377.242 2.864 20 50 GFGDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826465020 608810933 /nfs/dbraw/zinc/81/09/33/608810933.db2.gz VQSKGPHTKOMQJS-NORZTCDRSA-N -1 3 377.242 2.864 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1nnc(C=Cc2ccco2)s1 ZINC000826447986 608817952 /nfs/dbraw/zinc/81/79/52/608817952.db2.gz DAVAPBAUCAMWJI-SREVYHEPSA-N -1 3 395.408 2.630 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1nnc(C=Cc2ccco2)s1 ZINC000826447986 608817954 /nfs/dbraw/zinc/81/79/54/608817954.db2.gz DAVAPBAUCAMWJI-SREVYHEPSA-N -1 3 395.408 2.630 20 50 GFGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000826379184 608877038 /nfs/dbraw/zinc/87/70/38/608877038.db2.gz LBZMLMGXEJCSFC-NTUHNPAUSA-N -1 3 389.799 2.998 20 50 GFGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000826379184 608877040 /nfs/dbraw/zinc/87/70/40/608877040.db2.gz LBZMLMGXEJCSFC-NTUHNPAUSA-N -1 3 389.799 2.998 20 50 GFGDHM CCC[C@H]1C[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825252499 609161760 /nfs/dbraw/zinc/16/17/60/609161760.db2.gz INRSLXMQQLDVFT-PWSUYJOCSA-N -1 3 398.389 2.924 20 50 GFGDHM CCC[C@H]1C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825252499 609161761 /nfs/dbraw/zinc/16/17/61/609161761.db2.gz INRSLXMQQLDVFT-PWSUYJOCSA-N -1 3 398.389 2.924 20 50 GFGDHM C[C@@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000824384665 609259567 /nfs/dbraw/zinc/25/95/67/609259567.db2.gz FVFZVXAIFIRNDA-NSHDSACASA-N -1 3 384.827 2.872 20 50 GFGDHM CCOc1ccc(OCCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825643576 607335534 /nfs/dbraw/zinc/33/55/34/607335534.db2.gz QUGOVYPGZCQVFJ-UHFFFAOYSA-N -1 3 382.424 2.568 20 50 GFGDHM CCOc1ccc(OCCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825643576 607335536 /nfs/dbraw/zinc/33/55/36/607335536.db2.gz QUGOVYPGZCQVFJ-UHFFFAOYSA-N -1 3 382.424 2.568 20 50 GFGDHM Cc1oc(-c2ccsc2)nc1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826340994 607345899 /nfs/dbraw/zinc/34/58/99/607345899.db2.gz RNIKYYOVHFSNDD-UHFFFAOYSA-N -1 3 381.421 2.577 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000826447126 607347431 /nfs/dbraw/zinc/34/74/31/607347431.db2.gz OKIJQTCWSYXEQW-UHFFFAOYSA-N -1 3 384.399 2.855 20 50 GFGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1cccc2c1CCCC2 ZINC000824737944 607392839 /nfs/dbraw/zinc/39/28/39/607392839.db2.gz LGOHYGQZVDNGJW-ZDUSSCGKSA-N -1 3 378.436 2.656 20 50 GFGDHM O=C(CCCOc1ccc2c(c1)CCC2)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406352 607731622 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GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1F ZINC000826448602 607732396 /nfs/dbraw/zinc/73/23/96/607732396.db2.gz CJALNCYMTYGEFP-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1F ZINC000826448602 607732398 /nfs/dbraw/zinc/73/23/98/607732398.db2.gz CJALNCYMTYGEFP-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000823455023 606468282 /nfs/dbraw/zinc/46/82/82/606468282.db2.gz VMBFWQUJSJPSTC-UHFFFAOYSA-N -1 3 396.182 2.818 20 50 GFGDHM O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000823455023 606468283 /nfs/dbraw/zinc/46/82/83/606468283.db2.gz VMBFWQUJSJPSTC-UHFFFAOYSA-N -1 3 396.182 2.818 20 50 GFGDHM O=C(NNc1ccncc1Cl)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823280546 606854582 /nfs/dbraw/zinc/85/45/82/606854582.db2.gz AMCUGIZUXIFSAJ-UHFFFAOYSA-N -1 3 391.822 2.761 20 50 GFGDHM O=C(NNc1ccncc1Cl)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823280546 606854584 /nfs/dbraw/zinc/85/45/84/606854584.db2.gz AMCUGIZUXIFSAJ-UHFFFAOYSA-N -1 3 391.822 2.761 20 50 GFGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1Br ZINC000826444358 607889037 /nfs/dbraw/zinc/88/90/37/607889037.db2.gz BYTHINRKBTXHTF-UHFFFAOYSA-N -1 3 389.188 2.532 20 50 GFGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1cc(F)ccc1Br ZINC000826444358 607889038 /nfs/dbraw/zinc/88/90/38/607889038.db2.gz BYTHINRKBTXHTF-UHFFFAOYSA-N -1 3 389.188 2.532 20 50 GFGDHM CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823948710 608093109 /nfs/dbraw/zinc/09/31/09/608093109.db2.gz UTBMVJAXRDTMOZ-CYBMUJFWSA-N -1 3 384.465 2.853 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCc2ccc(C)cc2)cc(-c2nnn[n-]2)n1C ZINC000826287078 608145832 /nfs/dbraw/zinc/14/58/32/608145832.db2.gz BSCVIEJYZLBTAQ-WOJGMQOQSA-N -1 3 390.447 2.905 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCc2ccc(C)cc2)cc(-c2nn[n-]n2)n1C ZINC000826287078 608145833 /nfs/dbraw/zinc/14/58/33/608145833.db2.gz BSCVIEJYZLBTAQ-WOJGMQOQSA-N -1 3 390.447 2.905 20 50 GFGDHM Cc1ccc(Cc2nc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 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O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000826447102 607341409 /nfs/dbraw/zinc/34/14/09/607341409.db2.gz MYGZWCFBEIBJLG-UHFFFAOYSA-N -1 3 399.414 2.876 20 50 GFGDHM CC(C)(C)C(=O)Nc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824072167 607342426 /nfs/dbraw/zinc/34/24/26/607342426.db2.gz SBGMPZRPQOCNPA-UHFFFAOYSA-N -1 3 379.424 2.608 20 50 GFGDHM Cc1ccc(-c2nc(CC(=O)NNc3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000826273460 607351255 /nfs/dbraw/zinc/35/12/55/607351255.db2.gz FPPDBUONVDVIQY-UHFFFAOYSA-N -1 3 381.421 2.577 20 50 GFGDHM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285559 607352014 /nfs/dbraw/zinc/35/20/14/607352014.db2.gz CPWDIPHCLWKVIG-ZWKOTPCHSA-N -1 3 378.436 2.786 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000826448732 607714600 /nfs/dbraw/zinc/71/46/00/607714600.db2.gz IRKFXZPINUTXNL-UHFFFAOYSA-N -1 3 381.377 2.747 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000826448732 607714603 /nfs/dbraw/zinc/71/46/03/607714603.db2.gz IRKFXZPINUTXNL-UHFFFAOYSA-N -1 3 381.377 2.747 20 50 GFGDHM C=CCOc1ccc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000823932041 607718275 /nfs/dbraw/zinc/71/82/75/607718275.db2.gz LLRAXHDQLRSFCZ-CSKARUKUSA-N -1 3 392.419 2.597 20 50 GFGDHM C=CCOc1ccc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000823932041 607718276 /nfs/dbraw/zinc/71/82/76/607718276.db2.gz LLRAXHDQLRSFCZ-CSKARUKUSA-N -1 3 392.419 2.597 20 50 GFGDHM Cc1oc(-c2ccccc2F)nc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826340919 607719536 /nfs/dbraw/zinc/71/95/36/607719536.db2.gz OZXXLSIKUHRJFE-UHFFFAOYSA-N -1 3 379.355 2.726 20 50 GFGDHM Cc1oc(-c2ccccc2F)nc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826340919 607719538 /nfs/dbraw/zinc/71/95/38/607719538.db2.gz OZXXLSIKUHRJFE-UHFFFAOYSA-N -1 3 379.355 2.726 20 50 GFGDHM CSCCC=NNC(=O)COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826228095 607882676 /nfs/dbraw/zinc/88/26/76/607882676.db2.gz DXZVUJLHDYJJDQ-UHFFFAOYSA-N -1 3 396.476 2.768 20 50 GFGDHM CSCCC=NNC(=O)COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826228095 607882677 /nfs/dbraw/zinc/88/26/77/607882677.db2.gz DXZVUJLHDYJJDQ-UHFFFAOYSA-N -1 3 396.476 2.768 20 50 GFGDHM C=C(C)[C@H](CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)OCC ZINC000823874448 607908810 /nfs/dbraw/zinc/90/88/10/607908810.db2.gz XBORADWFCVVBPL-ZDUSSCGKSA-N -1 3 384.362 2.700 20 50 GFGDHM C=C(C)[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)OCC ZINC000823874448 607908811 /nfs/dbraw/zinc/90/88/11/607908811.db2.gz XBORADWFCVVBPL-ZDUSSCGKSA-N -1 3 384.362 2.700 20 50 GFGDHM Cc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826269887 608272976 /nfs/dbraw/zinc/27/29/76/608272976.db2.gz ASDWCPCMPFVWEF-UHFFFAOYSA-N -1 3 375.396 2.509 20 50 GFGDHM Cc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826269887 608272978 /nfs/dbraw/zinc/27/29/78/608272978.db2.gz ASDWCPCMPFVWEF-UHFFFAOYSA-N -1 3 375.396 2.509 20 50 GFGDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826440159 608800368 /nfs/dbraw/zinc/80/03/68/608800368.db2.gz AYYLHIHCTODBDO-LQBHMHGISA-N -1 3 394.248 2.576 20 50 GFGDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826440159 608800369 /nfs/dbraw/zinc/80/03/69/608800369.db2.gz AYYLHIHCTODBDO-LQBHMHGISA-N -1 3 394.248 2.576 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1OC(F)F ZINC000826448204 608815743 /nfs/dbraw/zinc/81/57/43/608815743.db2.gz LWPZJOMPNHDEDY-UHFFFAOYSA-N -1 3 379.302 2.756 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1OC(F)F ZINC000826448204 608815746 /nfs/dbraw/zinc/81/57/46/608815746.db2.gz LWPZJOMPNHDEDY-UHFFFAOYSA-N -1 3 379.302 2.756 20 50 GFGDHM CCCc1nc2ccccc2n1CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825353341 608816541 /nfs/dbraw/zinc/81/65/41/608816541.db2.gz WBWGJJFMCDDPAW-UHFFFAOYSA-N -1 3 390.451 2.702 20 50 GFGDHM Cc1cnn(-c2ccc(C)cc2NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826280814 608817962 /nfs/dbraw/zinc/81/79/62/608817962.db2.gz RCIPQIHTJMNLRK-UHFFFAOYSA-N -1 3 389.423 2.818 20 50 GFGDHM Cc1cnn(-c2ccc(C)cc2NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826280814 608817965 /nfs/dbraw/zinc/81/79/65/608817965.db2.gz RCIPQIHTJMNLRK-UHFFFAOYSA-N -1 3 389.423 2.818 20 50 GFGDHM COc1cccc(NNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000826217262 609173884 /nfs/dbraw/zinc/17/38/84/609173884.db2.gz FDFWQIAENAZHFN-UHFFFAOYSA-N -1 3 387.403 2.694 20 50 GFGDHM COc1cccc(NNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000826217262 609173886 /nfs/dbraw/zinc/17/38/86/609173886.db2.gz FDFWQIAENAZHFN-UHFFFAOYSA-N -1 3 387.403 2.694 20 50 GFGDHM CC(=NNC(=O)c1cccc2ncccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953651 609276952 /nfs/dbraw/zinc/27/69/52/609276952.db2.gz KENWETHLJZJNNU-UHFFFAOYSA-N -1 3 375.367 2.708 20 50 GFGDHM CC(=NNC(=O)c1cccc2ncccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953651 609276954 /nfs/dbraw/zinc/27/69/54/609276954.db2.gz KENWETHLJZJNNU-UHFFFAOYSA-N -1 3 375.367 2.708 20 50 GFGDHM Cn1cc(C=C(C#N)C(=O)Nc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359508 609303084 /nfs/dbraw/zinc/30/30/84/609303084.db2.gz JCAMPTZGTGMZMA-WJDWOHSUSA-N -1 3 396.414 2.813 20 50 GFGDHM Cn1cc(C=C(C#N)C(=O)Nc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359508 609303085 /nfs/dbraw/zinc/30/30/85/609303085.db2.gz JCAMPTZGTGMZMA-WJDWOHSUSA-N -1 3 396.414 2.813 20 50 GFGDHM O=C(NN=C1CCC(O)(c2cccc(F)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444781 609470063 /nfs/dbraw/zinc/47/00/63/609470063.db2.gz UBFZUXJTROMIMR-UHFFFAOYSA-N -1 3 394.410 2.553 20 50 GFGDHM O=C(NN=C1CCC(O)(c2cccc(F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444781 609470065 /nfs/dbraw/zinc/47/00/65/609470065.db2.gz UBFZUXJTROMIMR-UHFFFAOYSA-N -1 3 394.410 2.553 20 50 GFGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1cc(C)ccc1C ZINC000826284439 607338076 /nfs/dbraw/zinc/33/80/76/607338076.db2.gz TXJIQMCUBABXGO-UHFFFAOYSA-N -1 3 388.435 2.735 20 50 GFGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1cc(C)ccc1C ZINC000826284439 607338078 /nfs/dbraw/zinc/33/80/78/607338078.db2.gz TXJIQMCUBABXGO-UHFFFAOYSA-N -1 3 388.435 2.735 20 50 GFGDHM O=C(NNc1ccc(F)cc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000826447620 607340121 /nfs/dbraw/zinc/34/01/21/607340121.db2.gz OEKAWJMDFDINQN-UHFFFAOYSA-N -1 3 383.206 2.587 20 50 GFGDHM O=C(NNc1ccc(F)cc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000826447620 607340123 /nfs/dbraw/zinc/34/01/23/607340123.db2.gz OEKAWJMDFDINQN-UHFFFAOYSA-N -1 3 383.206 2.587 20 50 GFGDHM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423971 607354228 /nfs/dbraw/zinc/35/42/28/607354228.db2.gz PYWJOTVTVSQVRV-UHFFFAOYSA-N -1 3 395.810 2.861 20 50 GFGDHM CSc1nccn1-c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826231578 607356932 /nfs/dbraw/zinc/35/69/32/607356932.db2.gz QKJSJQCRAHKGEJ-UHFFFAOYSA-N -1 3 392.448 2.531 20 50 GFGDHM COc1cccc(C2(C(=O)NNc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000826215445 607720674 /nfs/dbraw/zinc/72/06/74/607720674.db2.gz OWOGBUFILPHFEQ-UHFFFAOYSA-N -1 3 378.436 2.830 20 50 GFGDHM COc1cccc(C2(C(=O)NNc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000826215445 607720676 /nfs/dbraw/zinc/72/06/76/607720676.db2.gz OWOGBUFILPHFEQ-UHFFFAOYSA-N -1 3 378.436 2.830 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccsc1NC(=O)c1ccco1 ZINC000826461462 607730719 /nfs/dbraw/zinc/73/07/19/607730719.db2.gz VYPGXAWSMHGOQN-UHFFFAOYSA-N -1 3 395.404 2.530 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccsc1NC(=O)c1ccco1 ZINC000826461462 607730721 /nfs/dbraw/zinc/73/07/21/607730721.db2.gz VYPGXAWSMHGOQN-UHFFFAOYSA-N -1 3 395.404 2.530 20 50 GFGDHM CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cc1F ZINC000825711727 607776602 /nfs/dbraw/zinc/77/66/02/607776602.db2.gz FWCKPXQXNDSNEL-AUWJEWJLSA-N -1 3 379.399 2.761 20 50 GFGDHM CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cc1F ZINC000825711727 607776603 /nfs/dbraw/zinc/77/66/03/607776603.db2.gz FWCKPXQXNDSNEL-AUWJEWJLSA-N -1 3 379.399 2.761 20 50 GFGDHM CCSc1ccc(C(C)=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825674416 607882447 /nfs/dbraw/zinc/88/24/47/607882447.db2.gz LLBAYBGSMFUUMH-UHFFFAOYSA-N -1 3 396.476 2.898 20 50 GFGDHM CCc1ccc(-c2cc(C(=O)NN=Cc3ccccc3-c3nnn[n-]3)[nH]n2)cc1 ZINC000825700916 607889119 /nfs/dbraw/zinc/88/91/19/607889119.db2.gz ZAYMLIBVPSWHIW-UHFFFAOYSA-N -1 3 386.419 2.583 20 50 GFGDHM CCc1ccc(-c2cc(C(=O)NN=Cc3ccccc3-c3nn[n-]n3)[nH]n2)cc1 ZINC000825700916 607889120 /nfs/dbraw/zinc/88/91/20/607889120.db2.gz ZAYMLIBVPSWHIW-UHFFFAOYSA-N -1 3 386.419 2.583 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(Cl)cc(C)c2[O-])cc(-c2nn[nH]n2)n1C ZINC000826267783 607999514 /nfs/dbraw/zinc/99/95/14/607999514.db2.gz WPPFHUIDQXVAKS-LFYBBSHMSA-N -1 3 397.826 2.727 20 50 GFGDHM CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824279995 608057999 /nfs/dbraw/zinc/05/79/99/608057999.db2.gz AJLRIQHBPXGCRW-CQSZACIVSA-N -1 3 392.463 2.630 20 50 GFGDHM CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824279995 608058000 /nfs/dbraw/zinc/05/80/00/608058000.db2.gz AJLRIQHBPXGCRW-CQSZACIVSA-N -1 3 392.463 2.630 20 50 GFGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C1C[C@@H]2CCCc3cccc1c32 ZINC000826418929 608110579 /nfs/dbraw/zinc/11/05/79/608110579.db2.gz BUNNEGCICZXZKT-AWEZNQCLSA-N -1 3 388.431 2.590 20 50 GFGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C1C[C@@H]2CCCc3cccc1c32 ZINC000826418929 608110580 /nfs/dbraw/zinc/11/05/80/608110580.db2.gz BUNNEGCICZXZKT-AWEZNQCLSA-N -1 3 388.431 2.590 20 50 GFGDHM CCN(CCc1cccs1)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825429200 608188656 /nfs/dbraw/zinc/18/86/56/608188656.db2.gz YFWMZBYIMRUWBI-XNTDXEJSSA-N -1 3 395.492 2.573 20 50 GFGDHM CCN(CCc1cccs1)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825429200 608188658 /nfs/dbraw/zinc/18/86/58/608188658.db2.gz YFWMZBYIMRUWBI-XNTDXEJSSA-N -1 3 395.492 2.573 20 50 GFGDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825674349 608199916 /nfs/dbraw/zinc/19/99/16/608199916.db2.gz JWDKWWNSGOXFPT-UHFFFAOYSA-N -1 3 385.409 2.644 20 50 GFGDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825674349 608199918 /nfs/dbraw/zinc/19/99/18/608199918.db2.gz JWDKWWNSGOXFPT-UHFFFAOYSA-N -1 3 385.409 2.644 20 50 GFGDHM COCCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826163068 608213314 /nfs/dbraw/zinc/21/33/14/608213314.db2.gz FHRFEIGHIYEJCX-GZTJUZNOSA-N -1 3 375.388 2.682 20 50 GFGDHM COCCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826163068 608213316 /nfs/dbraw/zinc/21/33/16/608213316.db2.gz FHRFEIGHIYEJCX-GZTJUZNOSA-N -1 3 375.388 2.682 20 50 GFGDHM C[C@H](CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)cc1 ZINC000824384567 608256268 /nfs/dbraw/zinc/25/62/68/608256268.db2.gz DVRXNHPWCGLFQG-LBPRGKRZSA-N -1 3 398.854 2.550 20 50 GFGDHM C[C@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000824384567 608256270 /nfs/dbraw/zinc/25/62/70/608256270.db2.gz DVRXNHPWCGLFQG-LBPRGKRZSA-N -1 3 398.854 2.550 20 50 GFGDHM CCC[C@@H](C=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000825234051 608750472 /nfs/dbraw/zinc/75/04/72/608750472.db2.gz VTWWTBPVDTZXRF-INIZCTEOSA-N -1 3 378.436 2.931 20 50 GFGDHM CCC[C@@H](C=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000825234051 608750475 /nfs/dbraw/zinc/75/04/75/608750475.db2.gz VTWWTBPVDTZXRF-INIZCTEOSA-N -1 3 378.436 2.931 20 50 GFGDHM CC(C)(C)NC(=O)c1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824094537 608806344 /nfs/dbraw/zinc/80/63/44/608806344.db2.gz YCYPDBMRBDMRRS-UHFFFAOYSA-N -1 3 394.439 2.544 20 50 GFGDHM CC(C)(C)NC(=O)c1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824094537 608806348 /nfs/dbraw/zinc/80/63/48/608806348.db2.gz YCYPDBMRBDMRRS-UHFFFAOYSA-N -1 3 394.439 2.544 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000826448509 608807482 /nfs/dbraw/zinc/80/74/82/608807482.db2.gz YGMGWUUHPHSVGW-UHFFFAOYSA-N -1 3 382.403 2.755 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000826448509 608807483 /nfs/dbraw/zinc/80/74/83/608807483.db2.gz YGMGWUUHPHSVGW-UHFFFAOYSA-N -1 3 382.403 2.755 20 50 GFGDHM CC(=NNC(=O)CSc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948021 609156704 /nfs/dbraw/zinc/15/67/04/609156704.db2.gz BSKZXWHLRAOJEC-UHFFFAOYSA-N -1 3 384.440 2.947 20 50 GFGDHM CC(=NNC(=O)CSc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948021 609156705 /nfs/dbraw/zinc/15/67/05/609156705.db2.gz BSKZXWHLRAOJEC-UHFFFAOYSA-N -1 3 384.440 2.947 20 50 GFGDHM CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953490 609159302 /nfs/dbraw/zinc/15/93/02/609159302.db2.gz CKIWSTZOQDMFHH-UHFFFAOYSA-N -1 3 390.325 2.761 20 50 GFGDHM CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953490 609159303 /nfs/dbraw/zinc/15/93/03/609159303.db2.gz CKIWSTZOQDMFHH-UHFFFAOYSA-N -1 3 390.325 2.761 20 50 GFGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNc1ccc(C(C)(C)C)cc1 ZINC000826175036 609177288 /nfs/dbraw/zinc/17/72/88/609177288.db2.gz QZFCNGLLFBDVQT-UHFFFAOYSA-N -1 3 396.451 2.695 20 50 GFGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNc1ccc(C(C)(C)C)cc1 ZINC000826175036 609177289 /nfs/dbraw/zinc/17/72/89/609177289.db2.gz QZFCNGLLFBDVQT-UHFFFAOYSA-N -1 3 396.451 2.695 20 50 GFGDHM CC(C)(C)OC(=O)c1cccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824114642 609305785 /nfs/dbraw/zinc/30/57/85/609305785.db2.gz YHRRINBKSDUZJI-UHFFFAOYSA-N -1 3 392.419 2.586 20 50 GFGDHM CC(C)(C)OC(=O)c1cccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824114642 609305788 /nfs/dbraw/zinc/30/57/88/609305788.db2.gz YHRRINBKSDUZJI-UHFFFAOYSA-N -1 3 392.419 2.586 20 50 GFGDHM CCO/C=C(\C#N)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825583316 607526175 /nfs/dbraw/zinc/52/61/75/607526175.db2.gz SXNDHCLALHQTFL-DTQAZKPQSA-N -1 3 390.403 2.828 20 50 GFGDHM CCO/C=C(\C#N)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825583316 607526177 /nfs/dbraw/zinc/52/61/77/607526177.db2.gz SXNDHCLALHQTFL-DTQAZKPQSA-N -1 3 390.403 2.828 20 50 GFGDHM CC(=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1coc2ccccc12 ZINC000823948503 607650571 /nfs/dbraw/zinc/65/05/71/607650571.db2.gz PQIPJNLIWLMCRV-UHFFFAOYSA-N -1 3 376.376 2.532 20 50 GFGDHM CC(=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1coc2ccccc12 ZINC000823948503 607650573 /nfs/dbraw/zinc/65/05/73/607650573.db2.gz PQIPJNLIWLMCRV-UHFFFAOYSA-N -1 3 376.376 2.532 20 50 GFGDHM CSc1nc(C(C)C)nc(C)c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826231440 607711695 /nfs/dbraw/zinc/71/16/95/607711695.db2.gz LHWMQCWEBDEIDK-UHFFFAOYSA-N -1 3 384.469 2.567 20 50 GFGDHM CSc1nc(C(C)C)nc(C)c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826231440 607711697 /nfs/dbraw/zinc/71/16/97/607711697.db2.gz LHWMQCWEBDEIDK-UHFFFAOYSA-N -1 3 384.469 2.567 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(Br)c1 ZINC000826448616 607716403 /nfs/dbraw/zinc/71/64/03/607716403.db2.gz CXHDBKUJORUZSK-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(Br)c1 ZINC000826448616 607716405 /nfs/dbraw/zinc/71/64/05/607716405.db2.gz CXHDBKUJORUZSK-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000826448684 607718436 /nfs/dbraw/zinc/71/84/36/607718436.db2.gz GUAZZOAOOTXCCP-UHFFFAOYSA-N -1 3 396.414 2.963 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000826448684 607718438 /nfs/dbraw/zinc/71/84/38/607718438.db2.gz GUAZZOAOOTXCCP-UHFFFAOYSA-N -1 3 396.414 2.963 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1occc1COc1ccccc1 ZINC000826449094 607732573 /nfs/dbraw/zinc/73/25/73/607732573.db2.gz BIHDWFDHZBKRQD-UHFFFAOYSA-N -1 3 376.376 2.796 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1occc1COc1ccccc1 ZINC000826449094 607732575 /nfs/dbraw/zinc/73/25/75/607732575.db2.gz BIHDWFDHZBKRQD-UHFFFAOYSA-N -1 3 376.376 2.796 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000823280868 606127711 /nfs/dbraw/zinc/12/77/11/606127711.db2.gz HHXPSKZIYPYPOT-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000823280868 606127712 /nfs/dbraw/zinc/12/77/12/606127712.db2.gz HHXPSKZIYPYPOT-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNc1cc(C(F)(F)F)ccc1F ZINC000826423365 607824711 /nfs/dbraw/zinc/82/47/11/607824711.db2.gz LJLSSSXRSPRAIX-UHFFFAOYSA-N -1 3 380.305 2.710 20 50 GFGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNc1cc(C(F)(F)F)ccc1F ZINC000826423365 607824712 /nfs/dbraw/zinc/82/47/12/607824712.db2.gz LJLSSSXRSPRAIX-UHFFFAOYSA-N -1 3 380.305 2.710 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc(F)cc2C)cc(-c2nnn[n-]2)n1C ZINC000826268561 608145799 /nfs/dbraw/zinc/14/57/99/608145799.db2.gz CEFZNJLMYDBPHU-CHHVJCJISA-N -1 3 380.383 2.612 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc(F)cc2C)cc(-c2nn[n-]n2)n1C ZINC000826268561 608145800 /nfs/dbraw/zinc/14/58/00/608145800.db2.gz CEFZNJLMYDBPHU-CHHVJCJISA-N -1 3 380.383 2.612 20 50 GFGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826179021 608214820 /nfs/dbraw/zinc/21/48/20/608214820.db2.gz VJPGLFIPSGHFKQ-VGOFMYFVSA-N -1 3 376.332 2.573 20 50 GFGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826179021 608214821 /nfs/dbraw/zinc/21/48/21/608214821.db2.gz VJPGLFIPSGHFKQ-VGOFMYFVSA-N -1 3 376.332 2.573 20 50 GFGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826179020 608214883 /nfs/dbraw/zinc/21/48/83/608214883.db2.gz VJPGLFIPSGHFKQ-AUWJEWJLSA-N -1 3 376.332 2.573 20 50 GFGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826179020 608214884 /nfs/dbraw/zinc/21/48/84/608214884.db2.gz VJPGLFIPSGHFKQ-AUWJEWJLSA-N -1 3 376.332 2.573 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000826448398 608807993 /nfs/dbraw/zinc/80/79/93/608807993.db2.gz UJUYAALBOFHHQN-KRWDZBQOSA-N -1 3 395.423 2.573 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000826448398 608807998 /nfs/dbraw/zinc/80/79/98/608807998.db2.gz UJUYAALBOFHHQN-KRWDZBQOSA-N -1 3 395.423 2.573 20 50 GFGDHM CC1(C)C(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1OCc1ccccc1 ZINC000824783352 609159465 /nfs/dbraw/zinc/15/94/65/609159465.db2.gz FVCIHFLWHKUKAF-SFHVURJKSA-N -1 3 390.447 2.968 20 50 GFGDHM CC1(C)C(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1OCc1ccccc1 ZINC000824783352 609159466 /nfs/dbraw/zinc/15/94/66/609159466.db2.gz FVCIHFLWHKUKAF-SFHVURJKSA-N -1 3 390.447 2.968 20 50 GFGDHM O=C(NNc1cccc(F)c1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826449577 607339876 /nfs/dbraw/zinc/33/98/76/607339876.db2.gz ZKVVFKTVFXABEC-UHFFFAOYSA-N -1 3 394.366 2.935 20 50 GFGDHM O=C(NNc1cccc(F)c1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826449577 607339878 /nfs/dbraw/zinc/33/98/78/607339878.db2.gz ZKVVFKTVFXABEC-UHFFFAOYSA-N -1 3 394.366 2.935 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Br ZINC000826446813 607342143 /nfs/dbraw/zinc/34/21/43/607342143.db2.gz ZTFHGMJOSUVMCM-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM Cc1cc(C)cc(NNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264181 607381494 /nfs/dbraw/zinc/38/14/94/607381494.db2.gz FIRZZWWGMKPJLQ-GOSISDBHSA-N -1 3 377.452 2.596 20 50 GFGDHM N#Cc1ccc(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000826385454 607396390 /nfs/dbraw/zinc/39/63/90/607396390.db2.gz NBPXPIFHIDUWKC-VURMDHGXSA-N -1 3 399.336 2.914 20 50 GFGDHM N#Cc1ccc(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000826385454 607396391 /nfs/dbraw/zinc/39/63/91/607396391.db2.gz NBPXPIFHIDUWKC-VURMDHGXSA-N -1 3 399.336 2.914 20 50 GFGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNc1c(Cl)cc(F)cc1Cl ZINC000826412714 608490198 /nfs/dbraw/zinc/49/01/98/608490198.db2.gz AGQOSTUYIWVVDR-UHFFFAOYSA-N -1 3 396.213 2.868 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000826448810 607714910 /nfs/dbraw/zinc/71/49/10/607714910.db2.gz MZJJUXZDYHPEAZ-UHFFFAOYSA-N -1 3 385.334 2.706 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000826448810 607714911 /nfs/dbraw/zinc/71/49/11/607714911.db2.gz MZJJUXZDYHPEAZ-UHFFFAOYSA-N -1 3 385.334 2.706 20 50 GFGDHM Cc1ccc(-c2cnc(CCC(=O)NNc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000826273632 607715613 /nfs/dbraw/zinc/71/56/13/607715613.db2.gz NKHSBGSMUYVIIC-UHFFFAOYSA-N -1 3 389.419 2.906 20 50 GFGDHM Cc1ccc(-c2cnc(CCC(=O)NNc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826273632 607715614 /nfs/dbraw/zinc/71/56/14/607715614.db2.gz NKHSBGSMUYVIIC-UHFFFAOYSA-N -1 3 389.419 2.906 20 50 GFGDHM CC(C)n1cc(Br)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824371756 607717013 /nfs/dbraw/zinc/71/70/13/607717013.db2.gz QYFDGAUPHLMLJO-UHFFFAOYSA-N -1 3 390.245 2.769 20 50 GFGDHM CC(C)n1cc(Br)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824371756 607717015 /nfs/dbraw/zinc/71/70/15/607717015.db2.gz QYFDGAUPHLMLJO-UHFFFAOYSA-N -1 3 390.245 2.769 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(c2cccc(Br)c2)CC1 ZINC000826447481 607726432 /nfs/dbraw/zinc/72/64/32/607726432.db2.gz HFWIAVUITCOLAD-UHFFFAOYSA-N -1 3 399.252 2.804 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2cccc(Br)c2)CC1 ZINC000826447481 607726434 /nfs/dbraw/zinc/72/64/34/607726434.db2.gz HFWIAVUITCOLAD-UHFFFAOYSA-N -1 3 399.252 2.804 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(OCc2cscn2)c1 ZINC000826449062 607730455 /nfs/dbraw/zinc/73/04/55/607730455.db2.gz ZRCOZMHYNHUNGL-UHFFFAOYSA-N -1 3 393.432 2.659 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(OCc2cscn2)c1 ZINC000826449062 607730457 /nfs/dbraw/zinc/73/04/57/607730457.db2.gz ZRCOZMHYNHUNGL-UHFFFAOYSA-N -1 3 393.432 2.659 20 50 GFGDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NNc1cc(C(F)(F)F)ccc1F ZINC000826441136 607837093 /nfs/dbraw/zinc/83/70/93/607837093.db2.gz PPOJPJGWLPLEMT-UHFFFAOYSA-N -1 3 395.320 2.851 20 50 GFGDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NNc1cc(C(F)(F)F)ccc1F ZINC000826441136 607837094 /nfs/dbraw/zinc/83/70/94/607837094.db2.gz PPOJPJGWLPLEMT-UHFFFAOYSA-N -1 3 395.320 2.851 20 50 GFGDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825559826 607883417 /nfs/dbraw/zinc/88/34/17/607883417.db2.gz KAALCNIEAIEEHW-RVDMUPIBSA-N -1 3 388.387 2.589 20 50 GFGDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825559826 607883418 /nfs/dbraw/zinc/88/34/18/607883418.db2.gz KAALCNIEAIEEHW-RVDMUPIBSA-N -1 3 388.387 2.589 20 50 GFGDHM O=C(NN=Cc1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444436 607889008 /nfs/dbraw/zinc/88/90/08/607889008.db2.gz GMRNYABLOHRCNJ-UHFFFAOYSA-N -1 3 378.289 2.789 20 50 GFGDHM O=C(NN=Cc1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444436 607889009 /nfs/dbraw/zinc/88/90/09/607889009.db2.gz GMRNYABLOHRCNJ-UHFFFAOYSA-N -1 3 378.289 2.789 20 50 GFGDHM Cc1cc(Cl)cc(C)c1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826267731 607931207 /nfs/dbraw/zinc/93/12/07/607931207.db2.gz SUOLTVYKFHXVCK-UHFFFAOYSA-N -1 3 384.827 2.666 20 50 GFGDHM Cc1cc(Cl)cc(C)c1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826267731 607931208 /nfs/dbraw/zinc/93/12/08/607931208.db2.gz SUOLTVYKFHXVCK-UHFFFAOYSA-N -1 3 384.827 2.666 20 50 GFGDHM CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825125999 608109956 /nfs/dbraw/zinc/10/99/56/608109956.db2.gz GSDRGMVHJLHXIO-UHFFFAOYSA-N -1 3 394.435 2.622 20 50 GFGDHM CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825125999 608109957 /nfs/dbraw/zinc/10/99/57/608109957.db2.gz GSDRGMVHJLHXIO-UHFFFAOYSA-N -1 3 394.435 2.622 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(OC)c1OC ZINC000826191062 608216476 /nfs/dbraw/zinc/21/64/76/608216476.db2.gz WDBDDSIWKRTFSN-XNTDXEJSSA-N -1 3 391.387 2.682 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(OC)c1OC ZINC000826191062 608216478 /nfs/dbraw/zinc/21/64/78/608216478.db2.gz WDBDDSIWKRTFSN-XNTDXEJSSA-N -1 3 391.387 2.682 20 50 GFGDHM N#CC(=Cc1cn2cc(Cl)ccc2n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379660 608217682 /nfs/dbraw/zinc/21/76/82/608217682.db2.gz YHPZCVZTGSPQCX-NTUHNPAUSA-N -1 3 375.779 2.958 20 50 GFGDHM N#CC(=Cc1cn2cc(Cl)ccc2n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379660 608217683 /nfs/dbraw/zinc/21/76/83/608217683.db2.gz YHPZCVZTGSPQCX-NTUHNPAUSA-N -1 3 375.779 2.958 20 50 GFGDHM CCCCOC(=O)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825291434 608806227 /nfs/dbraw/zinc/80/62/27/608806227.db2.gz SDBHSNGRMAUQMZ-UHFFFAOYSA-N -1 3 395.423 2.972 20 50 GFGDHM CCCCOC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825291434 608806228 /nfs/dbraw/zinc/80/62/28/608806228.db2.gz SDBHSNGRMAUQMZ-UHFFFAOYSA-N -1 3 395.423 2.972 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000826448065 608807464 /nfs/dbraw/zinc/80/74/64/608807464.db2.gz GNVDEKUGAPTAFX-KRWDZBQOSA-N -1 3 395.423 2.573 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000826448065 608807465 /nfs/dbraw/zinc/80/74/65/608807465.db2.gz GNVDEKUGAPTAFX-KRWDZBQOSA-N -1 3 395.423 2.573 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCCC2)nc1 ZINC000826448494 608810219 /nfs/dbraw/zinc/81/02/19/608810219.db2.gz XYMCKILQLXJGTJ-UHFFFAOYSA-N -1 3 380.412 2.732 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCCC2)nc1 ZINC000826448494 608810222 /nfs/dbraw/zinc/81/02/22/608810222.db2.gz XYMCKILQLXJGTJ-UHFFFAOYSA-N -1 3 380.412 2.732 20 50 GFGDHM N#Cc1cccc(NNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826387353 608814814 /nfs/dbraw/zinc/81/48/14/608814814.db2.gz QYFSOPYIFAUCTG-UHFFFAOYSA-N -1 3 388.313 2.906 20 50 GFGDHM N#Cc1cccc(NNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826387353 608814817 /nfs/dbraw/zinc/81/48/17/608814817.db2.gz QYFSOPYIFAUCTG-UHFFFAOYSA-N -1 3 388.313 2.906 20 50 GFGDHM CCCc1nc2ccccc2n1CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825352696 608817136 /nfs/dbraw/zinc/81/71/36/608817136.db2.gz PGCZZZXJBLMBFS-UHFFFAOYSA-N -1 3 390.451 2.702 20 50 GFGDHM CCCc1nc2ccccc2n1CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825352696 608817138 /nfs/dbraw/zinc/81/71/38/608817138.db2.gz PGCZZZXJBLMBFS-UHFFFAOYSA-N -1 3 390.451 2.702 20 50 GFGDHM CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948509 609157077 /nfs/dbraw/zinc/15/70/77/609157077.db2.gz PUVZMEKMPAPARG-UHFFFAOYSA-N -1 3 388.790 2.578 20 50 GFGDHM CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948509 609157079 /nfs/dbraw/zinc/15/70/79/609157079.db2.gz PUVZMEKMPAPARG-UHFFFAOYSA-N -1 3 388.790 2.578 20 50 GFGDHM O=C(NN(c1ccccc1)c1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443869 609192288 /nfs/dbraw/zinc/19/22/88/609192288.db2.gz HOBJGRILXXWAAC-LJQANCHMSA-N -1 3 386.415 2.770 20 50 GFGDHM O=C(NN(c1ccccc1)c1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443869 609192289 /nfs/dbraw/zinc/19/22/89/609192289.db2.gz HOBJGRILXXWAAC-LJQANCHMSA-N -1 3 386.415 2.770 20 50 GFGDHM CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825182471 609417286 /nfs/dbraw/zinc/41/72/86/609417286.db2.gz KBMSMMJMMSOJTK-CMPLNLGQSA-N -1 3 398.389 2.924 20 50 GFGDHM CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825182471 609417287 /nfs/dbraw/zinc/41/72/87/609417287.db2.gz KBMSMMJMMSOJTK-CMPLNLGQSA-N -1 3 398.389 2.924 20 50 GFGDHM Cc1cc(C(=O)NNc2cccc(C#N)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260126 607334159 /nfs/dbraw/zinc/33/41/59/607334159.db2.gz XPYVBYVZLBSCNO-UHFFFAOYSA-N -1 3 398.430 2.903 20 50 GFGDHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826231216 607341676 /nfs/dbraw/zinc/34/16/76/607341676.db2.gz BYWAWAYAPGVIOO-UHFFFAOYSA-N -1 3 398.496 2.741 20 50 GFGDHM Cc1cncc(C=CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826319052 607394819 /nfs/dbraw/zinc/39/48/19/607394819.db2.gz MKXVDMBSMKPUFG-GORDUTHDSA-N -1 3 389.341 2.745 20 50 GFGDHM Cc1cncc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826319052 607394820 /nfs/dbraw/zinc/39/48/20/607394820.db2.gz MKXVDMBSMKPUFG-GORDUTHDSA-N -1 3 389.341 2.745 20 50 GFGDHM O=C(NNc1ccc(Cl)cc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826447387 607465680 /nfs/dbraw/zinc/46/56/80/607465680.db2.gz CQWSBGIDCIPOLE-INIZCTEOSA-N -1 3 383.843 2.632 20 50 GFGDHM O=C([O-])C[C@H]1CSCCN1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000833221641 601023000 /nfs/dbraw/zinc/02/30/00/601023000.db2.gz MHWHQTCXFIPMQR-KRWDZBQOSA-N -1 3 389.457 2.893 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000826449032 607716319 /nfs/dbraw/zinc/71/63/19/607716319.db2.gz YLBBOBNCLAOOOT-UHFFFAOYSA-N -1 3 388.391 2.551 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000826449032 607716321 /nfs/dbraw/zinc/71/63/21/607716321.db2.gz YLBBOBNCLAOOOT-UHFFFAOYSA-N -1 3 388.391 2.551 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1csc(C2CC2)n1 ZINC000823281003 606127309 /nfs/dbraw/zinc/12/73/09/606127309.db2.gz LGRDKFBLQLHCJS-UHFFFAOYSA-N -1 3 395.370 2.976 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1csc(C2CC2)n1 ZINC000823281003 606127311 /nfs/dbraw/zinc/12/73/11/606127311.db2.gz LGRDKFBLQLHCJS-UHFFFAOYSA-N -1 3 395.370 2.976 20 50 GFGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNc1cc(C(F)(F)F)ccc1F ZINC000826417144 607824636 /nfs/dbraw/zinc/82/46/36/607824636.db2.gz FVFONNXBLCYOAN-UHFFFAOYSA-N -1 3 396.304 2.547 20 50 GFGDHM O=C(NN=Cc1nc(-c2ccccc2)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444671 607888962 /nfs/dbraw/zinc/88/89/62/607888962.db2.gz PWEOFLHRRLQMQM-UHFFFAOYSA-N -1 3 375.417 2.754 20 50 GFGDHM O=C(NN=Cc1nc(-c2ccccc2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444671 607888963 /nfs/dbraw/zinc/88/89/63/607888963.db2.gz PWEOFLHRRLQMQM-UHFFFAOYSA-N -1 3 375.417 2.754 20 50 GFGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823948253 608053603 /nfs/dbraw/zinc/05/36/03/608053603.db2.gz IUAKIRZSZOBWMU-GFCCVEGCSA-N -1 3 393.407 2.759 20 50 GFGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823948253 608053604 /nfs/dbraw/zinc/05/36/04/608053604.db2.gz IUAKIRZSZOBWMU-GFCCVEGCSA-N -1 3 393.407 2.759 20 50 GFGDHM COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC000826180191 608095041 /nfs/dbraw/zinc/09/50/41/608095041.db2.gz WJQGAYBRQRNYRH-UHFFFAOYSA-N -1 3 376.829 2.744 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000826448522 608810183 /nfs/dbraw/zinc/81/01/83/608810183.db2.gz YQMAPNNHPVMPQV-UHFFFAOYSA-N -1 3 395.814 2.854 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000826448522 608810184 /nfs/dbraw/zinc/81/01/84/608810184.db2.gz YQMAPNNHPVMPQV-UHFFFAOYSA-N -1 3 395.814 2.854 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)ccc1Br ZINC000826448243 608817713 /nfs/dbraw/zinc/81/77/13/608817713.db2.gz NOESWEYIPGNHHI-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)ccc1Br ZINC000826448243 608817715 /nfs/dbraw/zinc/81/77/15/608817715.db2.gz NOESWEYIPGNHHI-UHFFFAOYSA-N -1 3 392.192 2.917 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccn(-c2ccccc2Cl)n1 ZINC000826448437 608819132 /nfs/dbraw/zinc/81/91/32/608819132.db2.gz VLDKCRNRLPQVAL-UHFFFAOYSA-N -1 3 395.814 2.854 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccn(-c2ccccc2Cl)n1 ZINC000826448437 608819134 /nfs/dbraw/zinc/81/91/34/608819134.db2.gz VLDKCRNRLPQVAL-UHFFFAOYSA-N -1 3 395.814 2.854 20 50 GFGDHM CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948802 609160180 /nfs/dbraw/zinc/16/01/80/609160180.db2.gz YTKSDRWALZVZNO-UHFFFAOYSA-N -1 3 376.754 2.952 20 50 GFGDHM CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948802 609160182 /nfs/dbraw/zinc/16/01/82/609160182.db2.gz YTKSDRWALZVZNO-UHFFFAOYSA-N -1 3 376.754 2.952 20 50 GFGDHM Cn1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2Cl)n1 ZINC000826359067 607334212 /nfs/dbraw/zinc/33/42/12/607334212.db2.gz UITYMBMITRWULK-UHFFFAOYSA-N -1 3 394.826 2.678 20 50 GFGDHM Cn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2Cl)n1 ZINC000826359067 607334215 /nfs/dbraw/zinc/33/42/15/607334215.db2.gz UITYMBMITRWULK-UHFFFAOYSA-N -1 3 394.826 2.678 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000826448858 607338531 /nfs/dbraw/zinc/33/85/31/607338531.db2.gz OZBUEFHSSILMMR-UHFFFAOYSA-N -1 3 388.391 2.551 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000826448858 607338534 /nfs/dbraw/zinc/33/85/34/607338534.db2.gz OZBUEFHSSILMMR-UHFFFAOYSA-N -1 3 388.391 2.551 20 50 GFGDHM Cc1onc(-c2ccc(F)cc2)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826343163 607343503 /nfs/dbraw/zinc/34/35/03/607343503.db2.gz OZXJBFJITGOHLF-UHFFFAOYSA-N -1 3 379.355 2.726 20 50 GFGDHM O=C(COc1cc(Cl)cc(Cl)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826416900 607344520 /nfs/dbraw/zinc/34/45/20/607344520.db2.gz VRDCGCLJUNBXBF-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=C(COc1ccc(Cl)c(Cl)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826418146 607348276 /nfs/dbraw/zinc/34/82/76/607348276.db2.gz SJGFMFSJKGJLSB-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Br ZINC000826447238 607350978 /nfs/dbraw/zinc/35/09/78/607350978.db2.gz VTXGXYJEVZNHNK-UHFFFAOYSA-N -1 3 377.177 2.525 20 50 GFGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000826249618 607390644 /nfs/dbraw/zinc/39/06/44/607390644.db2.gz LKQHGPXLSJIOPG-UHFFFAOYSA-N -1 3 378.314 2.831 20 50 GFGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000826249618 607390646 /nfs/dbraw/zinc/39/06/46/607390646.db2.gz LKQHGPXLSJIOPG-UHFFFAOYSA-N -1 3 378.314 2.831 20 50 GFGDHM Cc1cc(C#N)ccc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826257300 607395088 /nfs/dbraw/zinc/39/50/88/607395088.db2.gz WNGVCPNLIROLRH-UHFFFAOYSA-N -1 3 387.325 2.823 20 50 GFGDHM Cc1cc(C#N)ccc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826257300 607395090 /nfs/dbraw/zinc/39/50/90/607395090.db2.gz WNGVCPNLIROLRH-UHFFFAOYSA-N -1 3 387.325 2.823 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc2ccccn2c1 ZINC000826446155 607395326 /nfs/dbraw/zinc/39/53/26/607395326.db2.gz BRGIRRCHEWUAED-UHFFFAOYSA-N -1 3 387.325 2.895 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc2ccccn2c1 ZINC000826446155 607395327 /nfs/dbraw/zinc/39/53/27/607395327.db2.gz BRGIRRCHEWUAED-UHFFFAOYSA-N -1 3 387.325 2.895 20 50 GFGDHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826332226 607672396 /nfs/dbraw/zinc/67/23/96/607672396.db2.gz NGVODNQMAUBFKR-UHFFFAOYSA-N -1 3 389.423 2.818 20 50 GFGDHM CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824114343 607718552 /nfs/dbraw/zinc/71/85/52/607718552.db2.gz PCDRRCPNFKDSEI-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824114343 607718554 /nfs/dbraw/zinc/71/85/54/607718554.db2.gz PCDRRCPNFKDSEI-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1csc(Cc2ccc(F)cc2)n1 ZINC000826449242 607721938 /nfs/dbraw/zinc/72/19/38/607721938.db2.gz IYNXNZIGJKMRSI-UHFFFAOYSA-N -1 3 395.423 2.810 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1csc(Cc2ccc(F)cc2)n1 ZINC000826449242 607721940 /nfs/dbraw/zinc/72/19/40/607721940.db2.gz IYNXNZIGJKMRSI-UHFFFAOYSA-N -1 3 395.423 2.810 20 50 GFGDHM CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824113818 607725314 /nfs/dbraw/zinc/72/53/14/607725314.db2.gz DZIACYSGHAVSKY-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824113818 607725316 /nfs/dbraw/zinc/72/53/16/607725316.db2.gz DZIACYSGHAVSKY-UHFFFAOYSA-N -1 3 395.423 2.971 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1COc2ccccc21 ZINC000823280570 606126405 /nfs/dbraw/zinc/12/64/05/606126405.db2.gz BNGRLOJSOPGIBE-LBPRGKRZSA-N -1 3 390.325 2.505 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1COc2ccccc21 ZINC000823280570 606126406 /nfs/dbraw/zinc/12/64/06/606126406.db2.gz BNGRLOJSOPGIBE-LBPRGKRZSA-N -1 3 390.325 2.505 20 50 GFGDHM CCC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825043066 607794791 /nfs/dbraw/zinc/79/47/91/607794791.db2.gz DAVRXXPURVIBBS-UHFFFAOYSA-N -1 3 378.436 2.629 20 50 GFGDHM CCC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825043066 607794792 /nfs/dbraw/zinc/79/47/92/607794792.db2.gz DAVRXXPURVIBBS-UHFFFAOYSA-N -1 3 378.436 2.629 20 50 GFGDHM COC1CCC(CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000826144056 607995557 /nfs/dbraw/zinc/99/55/57/607995557.db2.gz AQBRIAARTMNWGA-UHFFFAOYSA-N -1 3 398.389 2.924 20 50 GFGDHM COC1CCC(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000826144056 607995558 /nfs/dbraw/zinc/99/55/58/607995558.db2.gz AQBRIAARTMNWGA-UHFFFAOYSA-N -1 3 398.389 2.924 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)Nc2cncc3ccccc32)cc(-c2nn[n-]n2)n1C ZINC000826235960 608004714 /nfs/dbraw/zinc/00/47/14/608004714.db2.gz VOBWOBNFEOQKCN-VIZOYTHASA-N -1 3 384.403 2.608 20 50 GFGDHM CC(=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(F)c1 ZINC000823948395 608227181 /nfs/dbraw/zinc/22/71/81/608227181.db2.gz KQLMYPNRMRIEQT-UHFFFAOYSA-N -1 3 388.790 2.578 20 50 GFGDHM CC(Cc1ccc(Cl)cc1)=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824457188 608289337 /nfs/dbraw/zinc/28/93/37/608289337.db2.gz GZOJHTBRXMGWSV-UHFFFAOYSA-N -1 3 384.827 2.634 20 50 GFGDHM CCCOc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cc1 ZINC000825338738 608654465 /nfs/dbraw/zinc/65/44/65/608654465.db2.gz HAEQJTAKJYPPOK-XNTDXEJSSA-N -1 3 391.435 2.848 20 50 GFGDHM CCCOc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cc1 ZINC000825338738 608654466 /nfs/dbraw/zinc/65/44/66/608654466.db2.gz HAEQJTAKJYPPOK-XNTDXEJSSA-N -1 3 391.435 2.848 20 50 GFGDHM CCOc1cc2c(cc1NC(=O)NNc1cccc(-c3nnn[n-]3)c1)O[C@@H](C)C2 ZINC000825616079 608803886 /nfs/dbraw/zinc/80/38/86/608803886.db2.gz VWFURCNWDSXXRN-NSHDSACASA-N -1 3 395.423 2.737 20 50 GFGDHM CCOc1cc2c(cc1NC(=O)NNc1cccc(-c3nn[n-]n3)c1)O[C@@H](C)C2 ZINC000825616079 608803892 /nfs/dbraw/zinc/80/38/92/608803892.db2.gz VWFURCNWDSXXRN-NSHDSACASA-N -1 3 395.423 2.737 20 50 GFGDHM CCOc1ccc(OCC)c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825643471 608804453 /nfs/dbraw/zinc/80/44/53/608804453.db2.gz OPSNLYSKBXMVRG-UHFFFAOYSA-N -1 3 383.412 2.813 20 50 GFGDHM CCOc1ccc(OCC)c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825643471 608804456 /nfs/dbraw/zinc/80/44/56/608804456.db2.gz OPSNLYSKBXMVRG-UHFFFAOYSA-N -1 3 383.412 2.813 20 50 GFGDHM CC(C)Oc1ccc(NC(=O)NNc2ncccc2Cl)cc1-c1nnn[n-]1 ZINC000824329791 608815940 /nfs/dbraw/zinc/81/59/40/608815940.db2.gz VVVVCPPJNQEWJG-UHFFFAOYSA-N -1 3 388.819 2.851 20 50 GFGDHM CC(C)Oc1ccc(NC(=O)NNc2ncccc2Cl)cc1-c1nn[n-]n1 ZINC000824329791 608815941 /nfs/dbraw/zinc/81/59/41/608815941.db2.gz VVVVCPPJNQEWJG-UHFFFAOYSA-N -1 3 388.819 2.851 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948284 609275495 /nfs/dbraw/zinc/27/54/95/609275495.db2.gz JIBCPXXYPCVVQN-UHFFFAOYSA-N -1 3 391.366 2.815 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948284 609275497 /nfs/dbraw/zinc/27/54/97/609275497.db2.gz JIBCPXXYPCVVQN-UHFFFAOYSA-N -1 3 391.366 2.815 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000826448465 609284263 /nfs/dbraw/zinc/28/42/63/609284263.db2.gz WVHIVROOKNREGQ-OAHLLOKOSA-N -1 3 383.387 2.546 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000826448465 609284264 /nfs/dbraw/zinc/28/42/64/609284264.db2.gz WVHIVROOKNREGQ-OAHLLOKOSA-N -1 3 383.387 2.546 20 50 GFGDHM N#CC(=Cc1cccc(Br)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378933 609310060 /nfs/dbraw/zinc/31/00/60/609310060.db2.gz FDDPLUMWSITSDA-XYOKQWHBSA-N -1 3 381.193 2.814 20 50 GFGDHM N#CC(=Cc1cccc(Br)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378933 609310062 /nfs/dbraw/zinc/31/00/62/609310062.db2.gz FDDPLUMWSITSDA-XYOKQWHBSA-N -1 3 381.193 2.814 20 50 GFGDHM O=C(NN=C1CCC(O)(c2cccc(F)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444620 609467483 /nfs/dbraw/zinc/46/74/83/609467483.db2.gz NPBMBWVBVSKIRW-UHFFFAOYSA-N -1 3 394.410 2.553 20 50 GFGDHM O=C(NN=C1CCC(O)(c2cccc(F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444620 609467484 /nfs/dbraw/zinc/46/74/84/609467484.db2.gz NPBMBWVBVSKIRW-UHFFFAOYSA-N -1 3 394.410 2.553 20 50 GFGDHM CCOc1c(Cl)cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000825605623 607340532 /nfs/dbraw/zinc/34/05/32/607340532.db2.gz YZYOVGRHXGPENB-UHFFFAOYSA-N -1 3 388.815 2.684 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(c2ccccc2Cl)CCOCC1 ZINC000826446531 607344902 /nfs/dbraw/zinc/34/49/02/607344902.db2.gz OZTUHFRYWFNKTF-UHFFFAOYSA-N -1 3 398.854 2.712 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000826446525 607349475 /nfs/dbraw/zinc/34/94/75/607349475.db2.gz OWDKOQDJQSUNLL-CABCVRRESA-N -1 3 399.252 2.876 20 50 GFGDHM Cn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2Cl)n1 ZINC000826358881 607354192 /nfs/dbraw/zinc/35/41/92/607354192.db2.gz MHJMZBAYXZUOEW-UHFFFAOYSA-N -1 3 394.826 2.678 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2Cl)on1 ZINC000826446176 607352922 /nfs/dbraw/zinc/35/29/22/607352922.db2.gz CGZLNJMHTMSWDF-UHFFFAOYSA-N -1 3 381.783 2.932 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)cc1Br ZINC000826446929 607561595 /nfs/dbraw/zinc/56/15/95/607561595.db2.gz FUNBHEONFUXUNA-UHFFFAOYSA-N -1 3 395.167 2.664 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCCC(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235632 607702674 /nfs/dbraw/zinc/70/26/74/607702674.db2.gz NSBUZMMBZRPRPM-KPKJPENVSA-N -1 3 382.346 2.696 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)OCCCCC(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235632 607702676 /nfs/dbraw/zinc/70/26/76/607702676.db2.gz NSBUZMMBZRPRPM-KPKJPENVSA-N -1 3 382.346 2.696 20 50 GFGDHM CC(C)c1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000824341787 607721758 /nfs/dbraw/zinc/72/17/58/607721758.db2.gz CBHZEHICDRYXCJ-UHFFFAOYSA-N -1 3 388.435 2.933 20 50 GFGDHM CC(C)c1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000824341787 607721759 /nfs/dbraw/zinc/72/17/59/607721759.db2.gz CBHZEHICDRYXCJ-UHFFFAOYSA-N -1 3 388.435 2.933 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1scnc1Cl ZINC000823280984 606127600 /nfs/dbraw/zinc/12/76/00/606127600.db2.gz KMUAYKCLPYDYIS-UHFFFAOYSA-N -1 3 389.750 2.752 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1scnc1Cl ZINC000823280984 606127602 /nfs/dbraw/zinc/12/76/02/606127602.db2.gz KMUAYKCLPYDYIS-UHFFFAOYSA-N -1 3 389.750 2.752 20 50 GFGDHM CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c1C ZINC000825553012 607883387 /nfs/dbraw/zinc/88/33/87/607883387.db2.gz HVBUHRXVAYMRHI-NTEUORMPSA-N -1 3 390.403 2.778 20 50 GFGDHM CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000825553012 607883388 /nfs/dbraw/zinc/88/33/88/607883388.db2.gz HVBUHRXVAYMRHI-NTEUORMPSA-N -1 3 390.403 2.778 20 50 GFGDHM COc1cc2c(c(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)c1)O[C@@H](C)C2 ZINC000826178562 608214979 /nfs/dbraw/zinc/21/49/79/608214979.db2.gz CUIJMGLVWLCMHR-OYZNXWOWSA-N -1 3 387.399 2.989 20 50 GFGDHM COc1cc2c(c(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)c1)O[C@@H](C)C2 ZINC000826178562 608214980 /nfs/dbraw/zinc/21/49/80/608214980.db2.gz CUIJMGLVWLCMHR-OYZNXWOWSA-N -1 3 387.399 2.989 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2cccc(F)c2F)cc(-c2nnn[n-]2)n1C ZINC000826235710 608385732 /nfs/dbraw/zinc/38/57/32/608385732.db2.gz PKCBFGJMSUYMGO-JLATVTFTSA-N -1 3 397.389 2.576 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2cccc(F)c2F)cc(-c2nn[n-]n2)n1C ZINC000826235710 608385734 /nfs/dbraw/zinc/38/57/34/608385734.db2.gz PKCBFGJMSUYMGO-JLATVTFTSA-N -1 3 397.389 2.576 20 50 GFGDHM Cc1cc(N2CCCC2)ccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826269107 608805431 /nfs/dbraw/zinc/80/54/31/608805431.db2.gz AJLDIVUFGYMOKR-UHFFFAOYSA-N -1 3 378.440 2.924 20 50 GFGDHM Cc1cc(N2CCCC2)ccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826269107 608805435 /nfs/dbraw/zinc/80/54/35/608805435.db2.gz AJLDIVUFGYMOKR-UHFFFAOYSA-N -1 3 378.440 2.924 20 50 GFGDHM CC(C)Oc1ccc(C#N)cc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824324100 608808794 /nfs/dbraw/zinc/80/87/94/608808794.db2.gz GQDPNWFVJLMIRF-UHFFFAOYSA-N -1 3 378.396 2.674 20 50 GFGDHM CC(C)Oc1ccc(C#N)cc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824324100 608808795 /nfs/dbraw/zinc/80/87/95/608808795.db2.gz GQDPNWFVJLMIRF-UHFFFAOYSA-N -1 3 378.396 2.674 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(cnn2C(F)F)c1 ZINC000826447915 608817465 /nfs/dbraw/zinc/81/74/65/608817465.db2.gz BBQUMVBQYWCYFL-UHFFFAOYSA-N -1 3 385.338 2.760 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(cnn2C(F)F)c1 ZINC000826447915 608817468 /nfs/dbraw/zinc/81/74/68/608817468.db2.gz BBQUMVBQYWCYFL-UHFFFAOYSA-N -1 3 385.338 2.760 20 50 GFGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1-c1ncco1 ZINC000826291005 608817580 /nfs/dbraw/zinc/81/75/80/608817580.db2.gz KTRYGUGWJAZYTJ-UHFFFAOYSA-N -1 3 376.380 2.979 20 50 GFGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1-c1ncco1 ZINC000826291005 608817583 /nfs/dbraw/zinc/81/75/83/608817583.db2.gz KTRYGUGWJAZYTJ-UHFFFAOYSA-N -1 3 376.380 2.979 20 50 GFGDHM CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948265 609157090 /nfs/dbraw/zinc/15/70/90/609157090.db2.gz IWZYWGOIZRFXNW-CQSZACIVSA-N -1 3 396.426 2.930 20 50 GFGDHM CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948265 609157092 /nfs/dbraw/zinc/15/70/92/609157092.db2.gz IWZYWGOIZRFXNW-CQSZACIVSA-N -1 3 396.426 2.930 20 50 GFGDHM O=C([N-]NC(=O)c1cccc(C(F)(F)F)c1)c1cncc(Br)c1 ZINC000105967520 655100315 /nfs/dbraw/zinc/10/03/15/655100315.db2.gz DMCHETBXXYUPSM-UHFFFAOYSA-N -1 3 388.143 2.938 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000826446787 607340835 /nfs/dbraw/zinc/34/08/35/607340835.db2.gz YICRHLOFDCQCJV-SFHVURJKSA-N -1 3 395.442 2.504 20 50 GFGDHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826332671 607342255 /nfs/dbraw/zinc/34/22/55/607342255.db2.gz BZONXMWRJOUJJS-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM CCCn1c(C)cc(C=C(C#N)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825351687 607353730 /nfs/dbraw/zinc/35/37/30/607353730.db2.gz HKHWWJGZRMKWJE-BOPFTXTBSA-N -1 3 390.451 2.745 20 50 GFGDHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824739321 607354026 /nfs/dbraw/zinc/35/40/26/607354026.db2.gz WDWAJEZMLXRUKT-VIFPVBQESA-N -1 3 376.779 2.570 20 50 GFGDHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NNc1ccccc1Cl ZINC000826405868 607376938 /nfs/dbraw/zinc/37/69/38/607376938.db2.gz XCBGXEXBURGMRD-UHFFFAOYSA-N -1 3 399.842 2.772 20 50 GFGDHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NNc1ccccc1Cl ZINC000826405868 607376940 /nfs/dbraw/zinc/37/69/40/607376940.db2.gz XCBGXEXBURGMRD-UHFFFAOYSA-N -1 3 399.842 2.772 20 50 GFGDHM Cc1cc(F)ccc1NNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826269061 607393317 /nfs/dbraw/zinc/39/33/17/607393317.db2.gz ZACSOZYKCOSDOF-QGZVFWFLSA-N -1 3 384.415 2.861 20 50 GFGDHM Cc1cc(F)ccc1NNC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826269061 607393319 /nfs/dbraw/zinc/39/33/19/607393319.db2.gz ZACSOZYKCOSDOF-QGZVFWFLSA-N -1 3 384.415 2.861 20 50 GFGDHM N#Cc1ccccc1C=CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826387004 607396396 /nfs/dbraw/zinc/39/63/96/607396396.db2.gz BQZWARHSFCWOSY-VMPITWQZSA-N -1 3 399.336 2.914 20 50 GFGDHM N#Cc1ccccc1C=CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826387004 607396397 /nfs/dbraw/zinc/39/63/97/607396397.db2.gz BQZWARHSFCWOSY-VMPITWQZSA-N -1 3 399.336 2.914 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000826448472 607716055 /nfs/dbraw/zinc/71/60/55/607716055.db2.gz XDAVUBLDROSTDE-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000826448472 607716057 /nfs/dbraw/zinc/71/60/57/607716057.db2.gz XDAVUBLDROSTDE-UHFFFAOYSA-N -1 3 380.799 2.667 20 50 GFGDHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825080695 607729173 /nfs/dbraw/zinc/72/91/73/607729173.db2.gz BLSSPIMBTXYIAO-LBPRGKRZSA-N -1 3 391.439 2.648 20 50 GFGDHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825080695 607729174 /nfs/dbraw/zinc/72/91/74/607729174.db2.gz BLSSPIMBTXYIAO-LBPRGKRZSA-N -1 3 391.439 2.648 20 50 GFGDHM O=C(CCc1ncc(-c2ccccc2F)o1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409322 607731629 /nfs/dbraw/zinc/73/16/29/607731629.db2.gz RNKGBKDGFDHTIV-UHFFFAOYSA-N -1 3 393.382 2.737 20 50 GFGDHM O=C(CCc1ncc(-c2ccccc2F)o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409322 607731632 /nfs/dbraw/zinc/73/16/32/607731632.db2.gz RNKGBKDGFDHTIV-UHFFFAOYSA-N -1 3 393.382 2.737 20 50 GFGDHM CC(C)(CNC(=O)NNc1cccc(C(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000833459259 605740505 /nfs/dbraw/zinc/74/05/05/605740505.db2.gz NYJMRACUZXAJLF-UHFFFAOYSA-N -1 3 382.464 2.848 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000823281821 607109804 /nfs/dbraw/zinc/10/98/04/607109804.db2.gz YSXYEAOSPKQSKF-AWEZNQCLSA-N -1 3 391.357 2.666 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000823281821 607109807 /nfs/dbraw/zinc/10/98/07/607109807.db2.gz YSXYEAOSPKQSKF-AWEZNQCLSA-N -1 3 391.357 2.666 20 50 GFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1cccc2c1OCCO2 ZINC000826379001 608213622 /nfs/dbraw/zinc/21/36/22/608213622.db2.gz GXOJYRXGODSHOV-JYRVWZFOSA-N -1 3 377.335 2.567 20 50 GFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1cccc2c1OCCO2 ZINC000826379001 608213623 /nfs/dbraw/zinc/21/36/23/608213623.db2.gz GXOJYRXGODSHOV-JYRVWZFOSA-N -1 3 377.335 2.567 20 50 GFGDHM COc1cc(OC)c(OC)cc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826181119 608214650 /nfs/dbraw/zinc/21/46/50/608214650.db2.gz LNZKMQSYSNFLAJ-OVCLIPMQSA-N -1 3 391.387 2.682 20 50 GFGDHM COc1cc(OC)c(OC)cc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826181119 608214651 /nfs/dbraw/zinc/21/46/51/608214651.db2.gz LNZKMQSYSNFLAJ-OVCLIPMQSA-N -1 3 391.387 2.682 20 50 GFGDHM COc1cc2c(c(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)c1)O[C@H](C)C2 ZINC000826178560 608214693 /nfs/dbraw/zinc/21/46/93/608214693.db2.gz CUIJMGLVWLCMHR-DTOZUZIGSA-N -1 3 387.399 2.989 20 50 GFGDHM COc1cc2c(c(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)c1)O[C@H](C)C2 ZINC000826178560 608214695 /nfs/dbraw/zinc/21/46/95/608214695.db2.gz CUIJMGLVWLCMHR-DTOZUZIGSA-N -1 3 387.399 2.989 20 50 GFGDHM N#CC(=Cc1c(Cl)nc2ccccn21)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379533 608215775 /nfs/dbraw/zinc/21/57/75/608215775.db2.gz UTHGFEAANMEVQD-LCYFTJDESA-N -1 3 375.779 2.958 20 50 GFGDHM N#CC(=Cc1c(Cl)nc2ccccn21)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379533 608215776 /nfs/dbraw/zinc/21/57/76/608215776.db2.gz UTHGFEAANMEVQD-LCYFTJDESA-N -1 3 375.779 2.958 20 50 GFGDHM CC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824448974 608228320 /nfs/dbraw/zinc/22/83/20/608228320.db2.gz LMLMGJBSJZTKHR-UHFFFAOYSA-N -1 3 397.420 2.673 20 50 GFGDHM CC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824448974 608228322 /nfs/dbraw/zinc/22/83/22/608228322.db2.gz LMLMGJBSJZTKHR-UHFFFAOYSA-N -1 3 397.420 2.673 20 50 GFGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNc1c(Cl)cc(F)cc1Cl ZINC000826417469 608450765 /nfs/dbraw/zinc/45/07/65/608450765.db2.gz RVVLMTXVFCZFFN-UHFFFAOYSA-N -1 3 397.197 2.835 20 50 GFGDHM CCOCCOCc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825599616 608806283 /nfs/dbraw/zinc/80/62/83/608806283.db2.gz OFFVBLCDTYYQJF-UHFFFAOYSA-N -1 3 397.439 2.568 20 50 GFGDHM CCOCCOCc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825599616 608806285 /nfs/dbraw/zinc/80/62/85/608806285.db2.gz OFFVBLCDTYYQJF-UHFFFAOYSA-N -1 3 397.439 2.568 20 50 GFGDHM CCOC(=O)Nc1ccc(NC(=O)NNc2ccccc2)cc1-c1nnn[n-]1 ZINC000825539464 608816523 /nfs/dbraw/zinc/81/65/23/608816523.db2.gz PFLHRQFTYSRFEA-UHFFFAOYSA-N -1 3 382.384 2.584 20 50 GFGDHM CCOC(=O)Nc1ccc(NC(=O)NNc2ccccc2)cc1-c1nn[n-]n1 ZINC000825539464 608816524 /nfs/dbraw/zinc/81/65/24/608816524.db2.gz PFLHRQFTYSRFEA-UHFFFAOYSA-N -1 3 382.384 2.584 20 50 GFGDHM Cc1ccn(-c2ccccc2NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826308663 608817801 /nfs/dbraw/zinc/81/78/01/608817801.db2.gz KCOSYFOPOGKLCX-UHFFFAOYSA-N -1 3 375.396 2.509 20 50 GFGDHM Cc1ccn(-c2ccccc2NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826308663 608817803 /nfs/dbraw/zinc/81/78/03/608817803.db2.gz KCOSYFOPOGKLCX-UHFFFAOYSA-N -1 3 375.396 2.509 20 50 GFGDHM CC[C@H]1C[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825181676 609161063 /nfs/dbraw/zinc/16/10/63/609161063.db2.gz FORJBNRGHMJOGH-ONGXEEELSA-N -1 3 384.362 2.534 20 50 GFGDHM CC[C@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825181676 609161064 /nfs/dbraw/zinc/16/10/64/609161064.db2.gz FORJBNRGHMJOGH-ONGXEEELSA-N -1 3 384.362 2.534 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948472 609276408 /nfs/dbraw/zinc/27/64/08/609276408.db2.gz OGXPLQPUEOKDKE-UHFFFAOYSA-N -1 3 396.411 2.611 20 50 GFGDHM CC(=NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948472 609276410 /nfs/dbraw/zinc/27/64/10/609276410.db2.gz OGXPLQPUEOKDKE-UHFFFAOYSA-N -1 3 396.411 2.611 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H](F)Cc1ccccc1 ZINC000826446571 609391171 /nfs/dbraw/zinc/39/11/71/609391171.db2.gz QNGQRMASFJVTPL-AWEZNQCLSA-N -1 3 394.332 2.909 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H](F)Cc1ccccc1 ZINC000826446571 609391173 /nfs/dbraw/zinc/39/11/73/609391173.db2.gz QNGQRMASFJVTPL-AWEZNQCLSA-N -1 3 394.332 2.909 20 50 GFGDHM COc1ccc2[nH]c(=NNC(=O)c3cc(-c4nnn[n-]4)cs3)c(C)cc2c1 ZINC000826213690 609401146 /nfs/dbraw/zinc/40/11/46/609401146.db2.gz HZTSHBFDZILWMR-UHFFFAOYSA-N -1 3 381.421 2.550 20 50 GFGDHM COc1ccc2[nH]c(=NNC(=O)c3cc(-c4nn[n-]n4)cs3)c(C)cc2c1 ZINC000826213690 609401149 /nfs/dbraw/zinc/40/11/49/609401149.db2.gz HZTSHBFDZILWMR-UHFFFAOYSA-N -1 3 381.421 2.550 20 50 GFGDHM CC[C@@H]1C[C@H](CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825182474 609416691 /nfs/dbraw/zinc/41/66/91/609416691.db2.gz KBMSMMJMMSOJTK-ZYHUDNBSSA-N -1 3 398.389 2.924 20 50 GFGDHM CC[C@@H]1C[C@H](CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825182474 609416694 /nfs/dbraw/zinc/41/66/94/609416694.db2.gz KBMSMMJMMSOJTK-ZYHUDNBSSA-N -1 3 398.389 2.924 20 50 GFGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccc(Cl)cc1 ZINC000826234946 607341646 /nfs/dbraw/zinc/34/16/46/607341646.db2.gz VZFCBQIOUBCZLV-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1ccc(-c2cnc(CCC(=O)NNc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826273634 607341919 /nfs/dbraw/zinc/34/19/19/607341919.db2.gz NLVJCRKFWAAMNV-UHFFFAOYSA-N -1 3 389.419 2.906 20 50 GFGDHM COc1cccc(C2(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000826215222 607345340 /nfs/dbraw/zinc/34/53/40/607345340.db2.gz JOPKPXXFMCNVCB-UHFFFAOYSA-N -1 3 378.436 2.830 20 50 GFGDHM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285558 607352001 /nfs/dbraw/zinc/35/20/01/607352001.db2.gz CPWDIPHCLWKVIG-ROUUACIJSA-N -1 3 378.436 2.786 20 50 GFGDHM CCOc1ccc(OCCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825643772 607355259 /nfs/dbraw/zinc/35/52/59/607355259.db2.gz UENWYZGPDRXPFK-UHFFFAOYSA-N -1 3 382.424 2.568 20 50 GFGDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NNc1cc(C)ccc1C ZINC000826175686 607390861 /nfs/dbraw/zinc/39/08/61/607390861.db2.gz MVDKPMXLBOXDRH-UHFFFAOYSA-N -1 3 396.451 2.794 20 50 GFGDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NNc1cc(C)ccc1C ZINC000826175686 607390862 /nfs/dbraw/zinc/39/08/62/607390862.db2.gz MVDKPMXLBOXDRH-UHFFFAOYSA-N -1 3 396.451 2.794 20 50 GFGDHM O=C(CCOc1ccccc1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826407789 607395517 /nfs/dbraw/zinc/39/55/17/607395517.db2.gz BAPPINCZEAEDDT-UHFFFAOYSA-N -1 3 392.341 2.798 20 50 GFGDHM O=C(CCOc1ccccc1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826407789 607395518 /nfs/dbraw/zinc/39/55/18/607395518.db2.gz BAPPINCZEAEDDT-UHFFFAOYSA-N -1 3 392.341 2.798 20 50 GFGDHM O=C(C=Cc1cncc(F)c1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826402835 607397032 /nfs/dbraw/zinc/39/70/32/607397032.db2.gz CYLVHELSWYFYRE-RJRFIUFISA-N -1 3 393.304 2.576 20 50 GFGDHM O=C(C=Cc1cncc(F)c1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826402835 607397033 /nfs/dbraw/zinc/39/70/33/607397033.db2.gz CYLVHELSWYFYRE-RJRFIUFISA-N -1 3 393.304 2.576 20 50 GFGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccc(C(F)(F)F)cc1 ZINC000824747257 607635117 /nfs/dbraw/zinc/63/51/17/607635117.db2.gz ZMNRBCMLEQLFKB-SNVBAGLBSA-N -1 3 392.341 2.796 20 50 GFGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccc(C(F)(F)F)cc1 ZINC000824747257 607635118 /nfs/dbraw/zinc/63/51/18/607635118.db2.gz ZMNRBCMLEQLFKB-SNVBAGLBSA-N -1 3 392.341 2.796 20 50 GFGDHM CC(C)c1nn(C)c2sc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc12 ZINC000824364964 607714888 /nfs/dbraw/zinc/71/48/88/607714888.db2.gz XHMFUFYAGDXAHK-UHFFFAOYSA-N -1 3 382.453 2.695 20 50 GFGDHM CC(C)c1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000824342236 607726935 /nfs/dbraw/zinc/72/69/35/607726935.db2.gz NTCFZWYHADFQGA-UHFFFAOYSA-N -1 3 388.435 2.933 20 50 GFGDHM CC(C)c1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000824342236 607726936 /nfs/dbraw/zinc/72/69/36/607726936.db2.gz NTCFZWYHADFQGA-UHFFFAOYSA-N -1 3 388.435 2.933 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(F)cc(F)c1 ZINC000823281194 606127572 /nfs/dbraw/zinc/12/75/72/606127572.db2.gz NNTBXNCYZMZVMJ-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(F)cc(F)c1 ZINC000823281194 606127573 /nfs/dbraw/zinc/12/75/73/606127573.db2.gz NNTBXNCYZMZVMJ-UHFFFAOYSA-N -1 3 384.268 2.921 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2n[nH]cc2c1 ZINC000823280857 606129231 /nfs/dbraw/zinc/12/92/31/606129231.db2.gz HFRYODUOXGTJRE-UHFFFAOYSA-N -1 3 388.313 2.519 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2n[nH]cc2c1 ZINC000823280857 606129232 /nfs/dbraw/zinc/12/92/32/606129232.db2.gz HFRYODUOXGTJRE-UHFFFAOYSA-N -1 3 388.313 2.519 20 50 GFGDHM CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825654197 607915417 /nfs/dbraw/zinc/91/54/17/607915417.db2.gz RDLZIZSWZALUET-UKTHLTGXSA-N -1 3 378.367 2.950 20 50 GFGDHM CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825654197 607915418 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GFGDHM O=C(NCC1(Cc2ccc(F)cc2)CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826433519 608205203 /nfs/dbraw/zinc/20/52/03/608205203.db2.gz IRRRQXLUMKIIJN-UHFFFAOYSA-N -1 3 381.415 2.655 20 50 GFGDHM O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404397 608277476 /nfs/dbraw/zinc/27/74/76/608277476.db2.gz YXDXEZVVMBRNEF-CQSZACIVSA-N -1 3 393.234 2.740 20 50 GFGDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826466235 608810892 /nfs/dbraw/zinc/81/08/92/608810892.db2.gz UMFALNXRWVAWBV-YNZJMPHRSA-N -1 3 377.242 2.864 20 50 GFGDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826466235 608810894 /nfs/dbraw/zinc/81/08/94/608810894.db2.gz UMFALNXRWVAWBV-YNZJMPHRSA-N -1 3 377.242 2.864 20 50 GFGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(Cl)c1 ZINC000826260068 609259830 /nfs/dbraw/zinc/25/98/30/609259830.db2.gz ULLHDJKMTUJDDD-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948519 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2.771 20 50 GFGDHM CSc1nccn1-c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826231534 607337981 /nfs/dbraw/zinc/33/79/81/607337981.db2.gz PCVCVNJXXWOYJK-UHFFFAOYSA-N -1 3 392.448 2.531 20 50 GFGDHM CSc1nccn1-c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826231534 607337982 /nfs/dbraw/zinc/33/79/82/607337982.db2.gz PCVCVNJXXWOYJK-UHFFFAOYSA-N -1 3 392.448 2.531 20 50 GFGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNc1ccccc1Br ZINC000826408620 607339595 /nfs/dbraw/zinc/33/95/95/607339595.db2.gz OJQVFVFRNUWPLT-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNc1ccccc1Br ZINC000826408620 607339597 /nfs/dbraw/zinc/33/95/97/607339597.db2.gz OJQVFVFRNUWPLT-UHFFFAOYSA-N -1 3 387.241 2.705 20 50 GFGDHM O=C(COc1ccc(Cl)c2cccnc12)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826418275 607352940 /nfs/dbraw/zinc/35/29/40/607352940.db2.gz YRVODKXVVSXCSR-UHFFFAOYSA-N -1 3 395.810 2.590 20 50 GFGDHM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826269788 607349141 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GFGDHM O=C(CSc1nc2ccccc2s1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421323 607712650 /nfs/dbraw/zinc/71/26/50/607712650.db2.gz CHZLAYLYDKTIOP-UHFFFAOYSA-N -1 3 383.462 2.712 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1[nH]nc2ccccc21 ZINC000823281207 606127268 /nfs/dbraw/zinc/12/72/68/606127268.db2.gz OFPBZSSHISUQBI-UHFFFAOYSA-N -1 3 388.313 2.519 20 50 GFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(Cl)n1 ZINC000823281280 606129298 /nfs/dbraw/zinc/12/92/98/606129298.db2.gz QRPBZBJFTGQJLZ-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(Cl)n1 ZINC000823281280 606129300 /nfs/dbraw/zinc/12/93/00/606129300.db2.gz QRPBZBJFTGQJLZ-UHFFFAOYSA-N -1 3 383.721 2.691 20 50 GFGDHM O=C(NN=Cc1ccc(-c2ccncc2)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444348 607783603 /nfs/dbraw/zinc/78/36/03/607783603.db2.gz BTQBITJLRWBCOE-UHFFFAOYSA-N -1 3 387.378 2.832 20 50 GFGDHM O=C(NN=Cc1ccc(-c2ccncc2)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444348 607783604 /nfs/dbraw/zinc/78/36/04/607783604.db2.gz BTQBITJLRWBCOE-UHFFFAOYSA-N -1 3 387.378 2.832 20 50 GFGDHM O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826421651 607883110 /nfs/dbraw/zinc/88/31/10/607883110.db2.gz SDSMJKLWORQXKN-UHFFFAOYSA-N -1 3 395.473 2.719 20 50 GFGDHM O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826421651 607883111 /nfs/dbraw/zinc/88/31/11/607883111.db2.gz SDSMJKLWORQXKN-UHFFFAOYSA-N -1 3 395.473 2.719 20 50 GFGDHM Cc1ccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826285936 608473852 /nfs/dbraw/zinc/47/38/52/608473852.db2.gz OHKCZHTVJNWGLE-UHFFFAOYSA-N -1 3 385.225 2.702 20 50 GFGDHM Cc1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826285936 608473854 /nfs/dbraw/zinc/47/38/54/608473854.db2.gz OHKCZHTVJNWGLE-UHFFFAOYSA-N -1 3 385.225 2.702 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000826448423 608805529 /nfs/dbraw/zinc/80/55/29/608805529.db2.gz UXYLZKRFBVCFST-UHFFFAOYSA-N -1 3 393.329 2.956 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000826448423 608805531 /nfs/dbraw/zinc/80/55/31/608805531.db2.gz UXYLZKRFBVCFST-UHFFFAOYSA-N -1 3 393.329 2.956 20 50 GFGDHM CCOC(=O)N(C)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825517797 608808800 /nfs/dbraw/zinc/80/88/00/608808800.db2.gz MYFMKAFIBBOXBF-UHFFFAOYSA-N -1 3 396.411 2.608 20 50 GFGDHM CCOC(=O)N(C)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825517797 608808801 /nfs/dbraw/zinc/80/88/01/608808801.db2.gz MYFMKAFIBBOXBF-UHFFFAOYSA-N -1 3 396.411 2.608 20 50 GFGDHM O=C(NNc1cnccn1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826449663 608810664 /nfs/dbraw/zinc/81/06/64/608810664.db2.gz DKVUQODKWUCVPW-UHFFFAOYSA-N -1 3 389.379 2.598 20 50 GFGDHM O=C(NNc1cnccn1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826449663 608810668 /nfs/dbraw/zinc/81/06/68/608810668.db2.gz DKVUQODKWUCVPW-UHFFFAOYSA-N -1 3 389.379 2.598 20 50 GFGDHM CC(C)Cn1ncc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C(C)C ZINC000824284329 608815894 /nfs/dbraw/zinc/81/58/94/608815894.db2.gz DZERUROVAUXOLY-UHFFFAOYSA-N -1 3 383.460 2.991 20 50 GFGDHM CC(C)Cn1ncc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C(C)C ZINC000824284329 608815896 /nfs/dbraw/zinc/81/58/96/608815896.db2.gz DZERUROVAUXOLY-UHFFFAOYSA-N -1 3 383.460 2.991 20 50 GFGDHM COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826179785 609160201 /nfs/dbraw/zinc/16/02/01/609160201.db2.gz DNABDUWBKNPLSJ-UHFFFAOYSA-N -1 3 388.790 2.822 20 50 GFGDHM COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826179785 609160202 /nfs/dbraw/zinc/16/02/02/609160202.db2.gz DNABDUWBKNPLSJ-UHFFFAOYSA-N -1 3 388.790 2.822 20 50 GFGDHM Cc1cc(C(=O)NNc2ccccc2Cl)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259805 609165341 /nfs/dbraw/zinc/16/53/41/609165341.db2.gz HFOVNEHTOAVMLH-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1cc(C(=O)NNc2ccccc2Cl)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259805 609165342 /nfs/dbraw/zinc/16/53/42/609165342.db2.gz HFOVNEHTOAVMLH-UHFFFAOYSA-N -1 3 394.826 2.771 20 50 GFGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826273042 609263055 /nfs/dbraw/zinc/26/30/55/609263055.db2.gz NFQULKYFJUWLSS-CYBMUJFWSA-N -1 3 389.419 2.634 20 50 GFGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826273042 609263056 /nfs/dbraw/zinc/26/30/56/609263056.db2.gz NFQULKYFJUWLSS-CYBMUJFWSA-N -1 3 389.419 2.634 20 50 GFGDHM CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948248 609275378 /nfs/dbraw/zinc/27/53/78/609275378.db2.gz ISBSOYIKWFATAJ-AWEZNQCLSA-N -1 3 396.426 2.930 20 50 GFGDHM CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948248 609275379 /nfs/dbraw/zinc/27/53/79/609275379.db2.gz ISBSOYIKWFATAJ-AWEZNQCLSA-N -1 3 396.426 2.930 20 50 GFGDHM CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948759 609277204 /nfs/dbraw/zinc/27/72/04/609277204.db2.gz WTQZHONDSFUMKU-UHFFFAOYSA-N -1 3 376.754 2.952 20 50 GFGDHM CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948759 609277206 /nfs/dbraw/zinc/27/72/06/609277206.db2.gz WTQZHONDSFUMKU-UHFFFAOYSA-N -1 3 376.754 2.952 20 50 GFGDHM COc1ccc2[nH]c(=NNC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c(C)cc2c1 ZINC000826213874 609337229 /nfs/dbraw/zinc/33/72/29/609337229.db2.gz PULYAFWUFZINMF-UHFFFAOYSA-N -1 3 390.407 2.881 20 50 GFGDHM COc1ccc2[nH]c(=NNC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c(C)cc2c1 ZINC000826213874 609337230 /nfs/dbraw/zinc/33/72/30/609337230.db2.gz PULYAFWUFZINMF-UHFFFAOYSA-N -1 3 390.407 2.881 20 50 GFGDHM CC(C)(C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccnc1 ZINC000824064818 609389988 /nfs/dbraw/zinc/38/99/88/609389988.db2.gz NXDOYFXZNSQFAO-UHFFFAOYSA-N -1 3 391.357 2.701 20 50 GFGDHM CC(C)(C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccnc1 ZINC000824064818 609389990 /nfs/dbraw/zinc/38/99/90/609389990.db2.gz NXDOYFXZNSQFAO-UHFFFAOYSA-N -1 3 391.357 2.701 20 50 GFGDHM O=C(NNc1ccccc1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826449215 607340182 /nfs/dbraw/zinc/34/01/82/607340182.db2.gz HLDNXLUYJSKWTI-UHFFFAOYSA-N -1 3 391.366 2.950 20 50 GFGDHM O=C(NNc1ccccc1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826449215 607340184 /nfs/dbraw/zinc/34/01/84/607340184.db2.gz HLDNXLUYJSKWTI-UHFFFAOYSA-N -1 3 391.366 2.950 20 50 GFGDHM CCc1nc2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2nc1CC ZINC000825749746 607351632 /nfs/dbraw/zinc/35/16/32/607351632.db2.gz HJEVIHNRAAQLOF-UHFFFAOYSA-N -1 3 388.435 2.692 20 50 GFGDHM COc1ccc(C2(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCCC2)cc1 ZINC000826189815 607352599 /nfs/dbraw/zinc/35/25/99/607352599.db2.gz GEKMRFKSESDWJC-UHFFFAOYSA-N -1 3 378.436 2.830 20 50 GFGDHM CCCCC[C@H](O)CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825268359 607394072 /nfs/dbraw/zinc/39/40/72/607394072.db2.gz UBCWOSACROHURR-NSHDSACASA-N -1 3 386.378 2.660 20 50 GFGDHM CCCCC[C@H](O)CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825268359 607394073 /nfs/dbraw/zinc/39/40/73/607394073.db2.gz UBCWOSACROHURR-NSHDSACASA-N -1 3 386.378 2.660 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826215801 607598169 /nfs/dbraw/zinc/59/81/69/607598169.db2.gz ZEHPDANPOXKXNB-OVCLIPMQSA-N -1 3 391.387 2.534 20 50 GFGDHM COc1cccc(C=C(C#N)C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826215801 607598171 /nfs/dbraw/zinc/59/81/71/607598171.db2.gz ZEHPDANPOXKXNB-OVCLIPMQSA-N -1 3 391.387 2.534 20 50 GFGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNc1ccc(Cl)cc1Cl ZINC000826417627 607712416 /nfs/dbraw/zinc/71/24/16/607712416.db2.gz XYECZQXGQYJVLR-UHFFFAOYSA-N -1 3 379.207 2.696 20 50 GFGDHM CCCOc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC000825338909 607731453 /nfs/dbraw/zinc/73/14/53/607731453.db2.gz JUFCPXVBCZOXGO-UHFFFAOYSA-N -1 3 382.424 2.811 20 50 GFGDHM CCCOc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC000825338909 607731455 /nfs/dbraw/zinc/73/14/55/607731455.db2.gz JUFCPXVBCZOXGO-UHFFFAOYSA-N -1 3 382.424 2.811 20 50 GFGDHM COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1-c1ccccn1 ZINC000826187196 607862076 /nfs/dbraw/zinc/86/20/76/607862076.db2.gz FJFIHMCGWCETTF-UHFFFAOYSA-N -1 3 387.403 2.694 20 50 GFGDHM COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1-c1ccccn1 ZINC000826187196 607862077 /nfs/dbraw/zinc/86/20/77/607862077.db2.gz FJFIHMCGWCETTF-UHFFFAOYSA-N -1 3 387.403 2.694 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(C(C)(C)C)CC2)cc(-c2nnn[n-]2)n1C ZINC000826235524 608004230 /nfs/dbraw/zinc/00/42/30/608004230.db2.gz LLJMVFKJZUZQJS-GDNBJRDFSA-N -1 3 379.468 2.625 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(C(C)(C)C)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235524 608004231 /nfs/dbraw/zinc/00/42/31/608004231.db2.gz LLJMVFKJZUZQJS-GDNBJRDFSA-N -1 3 379.468 2.625 20 50 GFGDHM COc1ccccc1SCC(=O)NN=C(C)c1cccc(-c2nnn[n-]2)c1 ZINC000826220929 608054455 /nfs/dbraw/zinc/05/44/55/608054455.db2.gz HDRGFSNYJALPOJ-UHFFFAOYSA-N -1 3 382.449 2.508 20 50 GFGDHM COc1ccccc1SCC(=O)NN=C(C)c1cccc(-c2nn[n-]n2)c1 ZINC000826220929 608054456 /nfs/dbraw/zinc/05/44/56/608054456.db2.gz HDRGFSNYJALPOJ-UHFFFAOYSA-N -1 3 382.449 2.508 20 50 GFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1cccc2c1OCCO2 ZINC000826379002 608213761 /nfs/dbraw/zinc/21/37/61/608213761.db2.gz GXOJYRXGODSHOV-MDWZMJQESA-N -1 3 377.335 2.567 20 50 GFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1cccc2c1OCCO2 ZINC000826379002 608213762 /nfs/dbraw/zinc/21/37/62/608213762.db2.gz GXOJYRXGODSHOV-MDWZMJQESA-N -1 3 377.335 2.567 20 50 GFGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000824039605 608379927 /nfs/dbraw/zinc/37/99/27/608379927.db2.gz FUKUXTWKBPFWCZ-SNVBAGLBSA-N -1 3 387.241 2.876 20 50 GFGDHM C[C@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1cccc(-c2nnn[n-]2)c1 ZINC000824469619 608803296 /nfs/dbraw/zinc/80/32/96/608803296.db2.gz AUZOGOABSBYIIE-PMOCNGQXSA-N -1 3 390.285 2.998 20 50 GFGDHM C[C@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1cccc(-c2nn[n-]n2)c1 ZINC000824469619 608803300 /nfs/dbraw/zinc/80/33/00/608803300.db2.gz AUZOGOABSBYIIE-PMOCNGQXSA-N -1 3 390.285 2.998 20 50 GFGDHM Cc1cc(C(=O)NNc2cc(C)cc(C)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826264359 609145069 /nfs/dbraw/zinc/14/50/69/609145069.db2.gz LMOGAHCINDUTEF-UHFFFAOYSA-N -1 3 388.435 2.735 20 50 GFGDHM Cc1cc(C(=O)NNc2cc(C)cc(C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826264359 609145071 /nfs/dbraw/zinc/14/50/71/609145071.db2.gz LMOGAHCINDUTEF-UHFFFAOYSA-N -1 3 388.435 2.735 20 50 GFGDHM Cc1occc1C(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826342220 609302910 /nfs/dbraw/zinc/30/29/10/609302910.db2.gz BFXPAOTXRUSYFN-DHDCSXOGSA-N -1 3 385.387 2.959 20 50 GFGDHM Cc1occc1C(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826342220 609302912 /nfs/dbraw/zinc/30/29/12/609302912.db2.gz BFXPAOTXRUSYFN-DHDCSXOGSA-N -1 3 385.387 2.959 20 50 GFGDHM N#CC(=Cc1cccc(Br)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378932 609309999 /nfs/dbraw/zinc/30/99/99/609309999.db2.gz FDDPLUMWSITSDA-WQLSENKSSA-N -1 3 381.193 2.814 20 50 GFGDHM N#CC(=Cc1cccc(Br)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378932 609310000 /nfs/dbraw/zinc/31/00/00/609310000.db2.gz FDDPLUMWSITSDA-WQLSENKSSA-N -1 3 381.193 2.814 20 50 GFGDHM O=C(Cc1csc(Cc2ccccc2)n1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423863 607349483 /nfs/dbraw/zinc/34/94/83/607349483.db2.gz KJJSAFUDCGUGPZ-UHFFFAOYSA-N -1 3 391.460 2.600 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000826446528 607349510 /nfs/dbraw/zinc/34/95/10/607349510.db2.gz OWDKOQDJQSUNLL-LSDHHAIUSA-N -1 3 399.252 2.876 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccsc1NC(=O)c1ccco1 ZINC000826461444 607352122 /nfs/dbraw/zinc/35/21/22/607352122.db2.gz VKQRYVJSEJCVKR-UHFFFAOYSA-N -1 3 395.404 2.530 20 50 GFGDHM Cc1c(Cl)cccc1NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826236782 607393245 /nfs/dbraw/zinc/39/32/45/607393245.db2.gz CAHOGBZTCCUJHT-QGZVFWFLSA-N -1 3 397.870 2.941 20 50 GFGDHM CCc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(C)cc1 ZINC000825688376 607720775 /nfs/dbraw/zinc/72/07/75/607720775.db2.gz WWINAVVTGAADJC-UHFFFAOYSA-N -1 3 388.435 2.680 20 50 GFGDHM CCc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccc(C)cc1 ZINC000825688376 607720777 /nfs/dbraw/zinc/72/07/77/607720777.db2.gz WWINAVVTGAADJC-UHFFFAOYSA-N -1 3 388.435 2.680 20 50 GFGDHM O=C(NN=Cc1c[nH]nc1-c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444882 607889022 /nfs/dbraw/zinc/88/90/22/607889022.db2.gz YENXLQXYKIHVBS-UHFFFAOYSA-N -1 3 392.810 2.674 20 50 GFGDHM O=C(NN=Cc1c[nH]nc1-c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444882 607889023 /nfs/dbraw/zinc/88/90/23/607889023.db2.gz YENXLQXYKIHVBS-UHFFFAOYSA-N -1 3 392.810 2.674 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000826448297 607976211 /nfs/dbraw/zinc/97/62/11/607976211.db2.gz PWCYRLZYJGFHSZ-UHFFFAOYSA-N -1 3 379.302 2.914 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000826448297 607976212 /nfs/dbraw/zinc/97/62/12/607976212.db2.gz PWCYRLZYJGFHSZ-UHFFFAOYSA-N -1 3 379.302 2.914 20 50 GFGDHM Cc1c(C=C(C#N)C(=O)Nc2cncc3ccccc32)cc(-c2nn[n-]n2)n1C ZINC000826235959 608004848 /nfs/dbraw/zinc/00/48/48/608004848.db2.gz VOBWOBNFEOQKCN-CHHVJCJISA-N -1 3 384.403 2.608 20 50 GFGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1c(Cl)oc2ccccc12 ZINC000826419213 608054409 /nfs/dbraw/zinc/05/44/09/608054409.db2.gz OBUGJEGEGKGOMN-UHFFFAOYSA-N -1 3 396.794 2.795 20 50 GFGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1c(Cl)oc2ccccc12 ZINC000826419213 608054410 /nfs/dbraw/zinc/05/44/10/608054410.db2.gz OBUGJEGEGKGOMN-UHFFFAOYSA-N -1 3 396.794 2.795 20 50 GFGDHM N#CC(=Cc1nccn1Cc1ccccc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379164 608213601 /nfs/dbraw/zinc/21/36/01/608213601.db2.gz KRXZEBJRYUFXEP-LDADJPATSA-N -1 3 381.399 2.901 20 50 GFGDHM N#CC(=Cc1nccn1Cc1ccccc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379164 608213602 /nfs/dbraw/zinc/21/36/02/608213602.db2.gz KRXZEBJRYUFXEP-LDADJPATSA-N -1 3 381.399 2.901 20 50 GFGDHM COCCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826163466 608215013 /nfs/dbraw/zinc/21/50/13/608215013.db2.gz WGZPEKKLRGEQHN-YVLHZVERSA-N -1 3 375.388 2.682 20 50 GFGDHM COCCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826163466 608215014 /nfs/dbraw/zinc/21/50/14/608215014.db2.gz WGZPEKKLRGEQHN-YVLHZVERSA-N -1 3 375.388 2.682 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(OC)c1OC ZINC000826191061 608216742 /nfs/dbraw/zinc/21/67/42/608216742.db2.gz WDBDDSIWKRTFSN-GDNBJRDFSA-N -1 3 391.387 2.682 20 50 GFGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(OC)c1OC ZINC000826191061 608216743 /nfs/dbraw/zinc/21/67/43/608216743.db2.gz WDBDDSIWKRTFSN-GDNBJRDFSA-N -1 3 391.387 2.682 20 50 GFGDHM CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953738 609159283 /nfs/dbraw/zinc/15/92/83/609159283.db2.gz NWPFUYVYBHHGMH-UHFFFAOYSA-N -1 3 377.383 2.652 20 50 GFGDHM CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953738 609159284 /nfs/dbraw/zinc/15/92/84/609159284.db2.gz NWPFUYVYBHHGMH-UHFFFAOYSA-N -1 3 377.383 2.652 20 50 GFGDHM CC[C@H]1C[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825181674 609161116 /nfs/dbraw/zinc/16/11/16/609161116.db2.gz FORJBNRGHMJOGH-KOLCDFICSA-N -1 3 384.362 2.534 20 50 GFGDHM CC[C@H]1C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825181674 609161117 /nfs/dbraw/zinc/16/11/17/609161117.db2.gz FORJBNRGHMJOGH-KOLCDFICSA-N -1 3 384.362 2.534 20 50 GFGDHM C[C@H](SCC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC000824755327 607334672 /nfs/dbraw/zinc/33/46/72/607334672.db2.gz LKKFIYGJDOESMK-NSHDSACASA-N -1 3 394.464 2.681 20 50 GFGDHM C[C@H](SCC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC000824755327 607334673 /nfs/dbraw/zinc/33/46/73/607334673.db2.gz LKKFIYGJDOESMK-NSHDSACASA-N -1 3 394.464 2.681 20 50 GFGDHM C[C@@H](SCC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC000824755326 607335268 /nfs/dbraw/zinc/33/52/68/607335268.db2.gz LKKFIYGJDOESMK-LLVKDONJSA-N -1 3 394.464 2.681 20 50 GFGDHM C[C@@H](SCC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC000824755326 607335270 /nfs/dbraw/zinc/33/52/70/607335270.db2.gz LKKFIYGJDOESMK-LLVKDONJSA-N -1 3 394.464 2.681 20 50 GFGDHM O=C(NNc1ccc(F)cc1Br)c1sccc1-c1nnn[n-]1 ZINC000826447355 607340128 /nfs/dbraw/zinc/34/01/28/607340128.db2.gz BKQQWPAMHDPBPA-UHFFFAOYSA-N -1 3 383.206 2.587 20 50 GFGDHM O=C(NNc1ccc(F)cc1Br)c1sccc1-c1nn[n-]n1 ZINC000826447355 607340129 /nfs/dbraw/zinc/34/01/29/607340129.db2.gz BKQQWPAMHDPBPA-UHFFFAOYSA-N -1 3 383.206 2.587 20 50 GFGDHM Cc1nc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)oc1-c1ccccc1 ZINC000826324982 607340973 /nfs/dbraw/zinc/34/09/73/607340973.db2.gz JWWHHUMHSIOSSJ-UHFFFAOYSA-N -1 3 389.419 2.906 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000826446122 607350637 /nfs/dbraw/zinc/35/06/37/607350637.db2.gz ALSWKZVZTJZEKK-UHFFFAOYSA-N -1 3 398.854 2.712 20 50 GFGDHM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285556 607351753 /nfs/dbraw/zinc/35/17/53/607351753.db2.gz CPWDIPHCLWKVIG-MSOLQXFVSA-N -1 3 378.436 2.786 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1occc1COc1ccccc1 ZINC000826447497 607353510 /nfs/dbraw/zinc/35/35/10/607353510.db2.gz IEXCKOQVMOCDAE-UHFFFAOYSA-N -1 3 376.376 2.796 20 50 GFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826447059 607353554 /nfs/dbraw/zinc/35/35/54/607353554.db2.gz LHFXPJPXGFXGGQ-UHFFFAOYSA-N -1 3 393.285 2.551 20 50 GFGDHM C[C@H](SCC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2[nH]1 ZINC000824756901 607354796 /nfs/dbraw/zinc/35/47/96/607354796.db2.gz RRKSVEQALMVJFC-NSHDSACASA-N -1 3 394.464 2.681 20 50 GFGDHM CC(=O)c1ccccc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824029711 607394133 /nfs/dbraw/zinc/39/41/33/607394133.db2.gz PZJZMQVURCLQFE-UHFFFAOYSA-N -1 3 390.325 2.845 20 50 GFGDHM CC(=O)c1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824029711 607394134 /nfs/dbraw/zinc/39/41/34/607394134.db2.gz PZJZMQVURCLQFE-UHFFFAOYSA-N -1 3 390.325 2.845 20 50 GFGDHM Cc1nc(Cc2ccccc2)sc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826326167 607726232 /nfs/dbraw/zinc/72/62/32/607726232.db2.gz DHCNUVVHMREEAV-UHFFFAOYSA-N -1 3 391.460 2.979 20 50 GFGDHM Cc1nc(Cc2ccccc2)sc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826326167 607726234 /nfs/dbraw/zinc/72/62/34/607726234.db2.gz DHCNUVVHMREEAV-UHFFFAOYSA-N -1 3 391.460 2.979 20 50 GFGDHM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824184768 607732493 /nfs/dbraw/zinc/73/24/93/607732493.db2.gz LGKZSTTTYTVVNK-UHFFFAOYSA-N -1 3 399.842 2.872 20 50 GFGDHM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824184768 607732495 /nfs/dbraw/zinc/73/24/95/607732495.db2.gz LGKZSTTTYTVVNK-UHFFFAOYSA-N -1 3 399.842 2.872 20 50 GFGDHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824739620 607733348 /nfs/dbraw/zinc/73/33/48/607733348.db2.gz YOBVWTJJMKOYEA-SECBINFHSA-N -1 3 376.779 2.570 20 50 GFGDHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824739620 607733349 /nfs/dbraw/zinc/73/33/49/607733349.db2.gz YOBVWTJJMKOYEA-SECBINFHSA-N -1 3 376.779 2.570 20 50 GFGDHM COc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1-c1ccccn1 ZINC000826187358 607862060 /nfs/dbraw/zinc/86/20/60/607862060.db2.gz MJOMQCOOIVFTHC-UHFFFAOYSA-N -1 3 387.403 2.694 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000826449055 607995957 /nfs/dbraw/zinc/99/59/57/607995957.db2.gz ZIJLMOZLLVEUKS-UHFFFAOYSA-N -1 3 399.414 2.876 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000826449055 607995958 /nfs/dbraw/zinc/99/59/58/607995958.db2.gz ZIJLMOZLLVEUKS-UHFFFAOYSA-N -1 3 399.414 2.876 20 50 GFGDHM CC(=NNC(=O)c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953494 608095119 /nfs/dbraw/zinc/09/51/19/608095119.db2.gz CQFNGPVGAGTDNQ-UHFFFAOYSA-N -1 3 391.254 2.845 20 50 GFGDHM CC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824450055 608228406 /nfs/dbraw/zinc/22/84/06/608228406.db2.gz RFDMESNIFMULRU-UHFFFAOYSA-N -1 3 397.420 2.673 20 50 GFGDHM CC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824450055 608228407 /nfs/dbraw/zinc/22/84/07/608228407.db2.gz RFDMESNIFMULRU-UHFFFAOYSA-N -1 3 397.420 2.673 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1OCC(F)F ZINC000826448279 608341680 /nfs/dbraw/zinc/34/16/80/608341680.db2.gz OZFFHPHZAINCRF-UHFFFAOYSA-N -1 3 393.329 2.798 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1OCC(F)F ZINC000826448279 608341682 /nfs/dbraw/zinc/34/16/82/608341682.db2.gz OZFFHPHZAINCRF-UHFFFAOYSA-N -1 3 393.329 2.798 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000826448066 608807503 /nfs/dbraw/zinc/80/75/03/608807503.db2.gz GNVDEKUGAPTAFX-QGZVFWFLSA-N -1 3 395.423 2.573 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000826448066 608807504 /nfs/dbraw/zinc/80/75/04/608807504.db2.gz GNVDEKUGAPTAFX-QGZVFWFLSA-N -1 3 395.423 2.573 20 50 GFGDHM O=C(OCc1ccccc1-c1nnn[n-]1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826466901 608810622 /nfs/dbraw/zinc/81/06/22/608810622.db2.gz YDZBFVSOPZKJJP-YNZJMPHRSA-N -1 3 377.242 2.864 20 50 GFGDHM O=C(OCc1ccccc1-c1nn[n-]n1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826466901 608810624 /nfs/dbraw/zinc/81/06/24/608810624.db2.gz YDZBFVSOPZKJJP-YNZJMPHRSA-N -1 3 377.242 2.864 20 50 GFGDHM CCc1nnc(-c2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000825762436 608814176 /nfs/dbraw/zinc/81/41/76/608814176.db2.gz AXMXVXGYJDQLEA-UHFFFAOYSA-N -1 3 391.395 2.628 20 50 GFGDHM CCc1nnc(-c2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000825762436 608814177 /nfs/dbraw/zinc/81/41/77/608814177.db2.gz AXMXVXGYJDQLEA-UHFFFAOYSA-N -1 3 391.395 2.628 20 50 GFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000826448464 609284055 /nfs/dbraw/zinc/28/40/55/609284055.db2.gz WVHIVROOKNREGQ-HNNXBMFYSA-N -1 3 383.387 2.546 20 50 GFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000826448464 609284056 /nfs/dbraw/zinc/28/40/56/609284056.db2.gz WVHIVROOKNREGQ-HNNXBMFYSA-N -1 3 383.387 2.546 20 50 GFGDHM