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(CSc1ccc(-c2nnn[n-]2)cc1)NNc1ccccc1C(F)(F)F ZINC000737942080 945162404 /nfs/dbraw/zinc/16/24/04/945162404.db2.gz UEWNHKXOJZLHFJ-UHFFFAOYSA-N -1 3 394.382 3.121 20 50 GGGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNc1ccccc1C(F)(F)F ZINC000737942080 945162419 /nfs/dbraw/zinc/16/24/19/945162419.db2.gz UEWNHKXOJZLHFJ-UHFFFAOYSA-N -1 3 394.382 3.121 20 50 GGGDHM O=C(NN[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738133985 945215561 /nfs/dbraw/zinc/21/55/61/945215561.db2.gz BIRYFIAMWGMPMV-FQEVSTJZSA-N -1 3 384.443 3.085 20 50 GGGDHM O=C(NN[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738133985 945215568 /nfs/dbraw/zinc/21/55/68/945215568.db2.gz BIRYFIAMWGMPMV-FQEVSTJZSA-N -1 3 384.443 3.085 20 50 GGGDHM C=CCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000819758961 945283275 /nfs/dbraw/zinc/28/32/75/945283275.db2.gz KDDAOARTPXBXSN-SXGWCWSVSA-N -1 3 376.395 3.400 20 50 GGGDHM C=CCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000819758961 945283282 /nfs/dbraw/zinc/28/32/82/945283282.db2.gz KDDAOARTPXBXSN-SXGWCWSVSA-N -1 3 376.395 3.400 20 50 GGGDHM CC(C)COc1ccc([C@H](C)NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820103408 945353534 /nfs/dbraw/zinc/35/35/34/945353534.db2.gz YGYVTNHUUYWVEP-AWEZNQCLSA-N -1 3 395.467 3.289 20 50 GGGDHM CC(C)COc1ccc([C@H](C)NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820103408 945353546 /nfs/dbraw/zinc/35/35/46/945353546.db2.gz YGYVTNHUUYWVEP-AWEZNQCLSA-N -1 3 395.467 3.289 20 50 GGGDHM CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736421862 944818798 /nfs/dbraw/zinc/81/87/98/944818798.db2.gz DJEKELKGXSQHMZ-MRXNPFEDSA-N -1 3 384.484 3.014 20 50 GGGDHM CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736421862 944818804 /nfs/dbraw/zinc/81/88/04/944818804.db2.gz DJEKELKGXSQHMZ-MRXNPFEDSA-N -1 3 384.484 3.014 20 50 GGGDHM Cc1ccc(-c2ncc(C=NNC(=O)c3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000737289288 945029895 /nfs/dbraw/zinc/02/98/95/945029895.db2.gz UQSWVTYSDJAXRS-UHFFFAOYSA-N -1 3 389.444 3.063 20 50 GGGDHM Cc1ccc(-c2ncc(C=NNC(=O)c3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000737289288 945029902 /nfs/dbraw/zinc/02/99/02/945029902.db2.gz UQSWVTYSDJAXRS-UHFFFAOYSA-N -1 3 389.444 3.063 20 50 GGGDHM CC(C)c1cccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000820192431 945370533 /nfs/dbraw/zinc/37/05/33/945370533.db2.gz NQAGZSHBMMTLMZ-UHFFFAOYSA-N -1 3 391.357 3.161 20 50 GGGDHM CC(C)c1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000820192431 945370546 /nfs/dbraw/zinc/37/05/46/945370546.db2.gz NQAGZSHBMMTLMZ-UHFFFAOYSA-N -1 3 391.357 3.161 20 50 GGGDHM C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372876 945434859 /nfs/dbraw/zinc/43/48/59/945434859.db2.gz CTAKSSBUOZFYBR-SECBINFHSA-N -1 3 375.795 3.047 20 50 GGGDHM C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372876 945434861 /nfs/dbraw/zinc/43/48/61/945434861.db2.gz CTAKSSBUOZFYBR-SECBINFHSA-N -1 3 375.795 3.047 20 50 GGGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820374882 945439826 /nfs/dbraw/zinc/43/98/26/945439826.db2.gz SEIJEUKJICBZPO-SECBINFHSA-N -1 3 375.795 3.047 20 50 GGGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820374882 945439835 /nfs/dbraw/zinc/43/98/35/945439835.db2.gz SEIJEUKJICBZPO-SECBINFHSA-N -1 3 375.795 3.047 20 50 GGGDHM CCCC[C@H](CCC)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821040543 945621018 /nfs/dbraw/zinc/62/10/18/945621018.db2.gz NATUYPVYEOHUSL-ADFUCPMPSA-N -1 3 383.500 3.143 20 50 GGGDHM CCCC[C@H](CCC)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821040543 945621022 /nfs/dbraw/zinc/62/10/22/945621022.db2.gz NATUYPVYEOHUSL-ADFUCPMPSA-N -1 3 383.500 3.143 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821417838 945690544 /nfs/dbraw/zinc/69/05/44/945690544.db2.gz UDZRXFYRVGPZQS-HIXWQLQUSA-N -1 3 389.415 3.477 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821417838 945690555 /nfs/dbraw/zinc/69/05/55/945690555.db2.gz UDZRXFYRVGPZQS-HIXWQLQUSA-N -1 3 389.415 3.477 20 50 GGGDHM CCOc1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821416890 945690618 /nfs/dbraw/zinc/69/06/18/945690618.db2.gz FANMZVZGNXNICE-UHFFFAOYSA-N -1 3 392.341 3.041 20 50 GGGDHM CCOc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821416890 945690623 /nfs/dbraw/zinc/69/06/23/945690623.db2.gz FANMZVZGNXNICE-UHFFFAOYSA-N -1 3 392.341 3.041 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821417760 945690737 /nfs/dbraw/zinc/69/07/37/945690737.db2.gz QXFKAEUUGQXDHE-OQLLNIDSSA-N -1 3 393.378 3.055 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821417760 945690744 /nfs/dbraw/zinc/69/07/44/945690744.db2.gz QXFKAEUUGQXDHE-OQLLNIDSSA-N -1 3 393.378 3.055 20 50 GGGDHM COc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000821832074 945879958 /nfs/dbraw/zinc/87/99/58/945879958.db2.gz YKMFQAQJMWJRFW-WTKPLQERSA-N -1 3 386.824 3.136 20 50 GGGDHM COc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000821832074 945879967 /nfs/dbraw/zinc/87/99/67/945879967.db2.gz YKMFQAQJMWJRFW-WTKPLQERSA-N -1 3 386.824 3.136 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)NCC2(CC(C)C)CCCC2)cc(-c2nnn[n-]2)n1C ZINC000822026871 945925749 /nfs/dbraw/zinc/92/57/49/945925749.db2.gz AXOKBXXESNBVNM-RQZCQDPDSA-N -1 3 395.511 3.143 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)NCC2(CC(C)C)CCCC2)cc(-c2nn[n-]n2)n1C ZINC000822026871 945925758 /nfs/dbraw/zinc/92/57/58/945925758.db2.gz AXOKBXXESNBVNM-RQZCQDPDSA-N -1 3 395.511 3.143 20 50 GGGDHM Cc1cc(C)c(NNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000822194207 945976283 /nfs/dbraw/zinc/97/62/83/945976283.db2.gz MZVSTAJXYDOBHS-UHFFFAOYSA-N -1 3 380.452 3.093 20 50 GGGDHM Cc1cc(C)c(NNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000822194207 945976286 /nfs/dbraw/zinc/97/62/86/945976286.db2.gz MZVSTAJXYDOBHS-UHFFFAOYSA-N -1 3 380.452 3.093 20 50 GGGDHM Cc1cc(C)c(NNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194111 945976951 /nfs/dbraw/zinc/97/69/51/945976951.db2.gz JBJNZNCJKYLQKR-UHFFFAOYSA-N -1 3 394.479 3.484 20 50 GGGDHM Cc1cc(C)c(NNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000822194111 945976959 /nfs/dbraw/zinc/97/69/59/945976959.db2.gz JBJNZNCJKYLQKR-UHFFFAOYSA-N -1 3 394.479 3.484 20 50 GGGDHM Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822231888 946014796 /nfs/dbraw/zinc/01/47/96/946014796.db2.gz LECYNVUWEVUNNN-UHFFFAOYSA-N -1 3 391.460 3.100 20 50 GGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccccc1C(F)(F)F ZINC000822795615 946174507 /nfs/dbraw/zinc/17/45/07/946174507.db2.gz DCOPCNGFADFLPL-VQHVLOKHSA-N -1 3 390.350 3.493 20 50 GGGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)c1ccc2ccccc2c1 ZINC000823269374 946362701 /nfs/dbraw/zinc/36/27/01/946362701.db2.gz DWFPFOWXTOUIEJ-UHFFFAOYSA-N -1 3 381.399 3.265 20 50 GGGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)c1ccc2ccccc2c1 ZINC000823269374 946362711 /nfs/dbraw/zinc/36/27/11/946362711.db2.gz DWFPFOWXTOUIEJ-UHFFFAOYSA-N -1 3 381.399 3.265 20 50 GGGDHM C=C[C@H](C(=O)NNc1cc(-c2nnn[n-]2)ccc1Br)c1ccccc1 ZINC001573299469 947095013 /nfs/dbraw/zinc/09/50/13/947095013.db2.gz FDUJIFGXMKXRIP-ZDUSSCGKSA-N -1 3 399.252 3.042 20 50 GGGDHM C=C[C@H](C(=O)NNc1cc(-c2nn[n-]n2)ccc1Br)c1ccccc1 ZINC001573299469 947095026 /nfs/dbraw/zinc/09/50/26/947095026.db2.gz FDUJIFGXMKXRIP-ZDUSSCGKSA-N -1 3 399.252 3.042 20 50 GGGDHM CC[C@@H](OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)c1ccccc1 ZINC000825152498 947102321 /nfs/dbraw/zinc/10/23/21/947102321.db2.gz AHKNHOYRFIZUFW-CFINBHSISA-N -1 3 376.420 3.115 20 50 GGGDHM CC[C@@H](OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)c1ccccc1 ZINC000825152498 947102334 /nfs/dbraw/zinc/10/23/34/947102334.db2.gz AHKNHOYRFIZUFW-CFINBHSISA-N -1 3 376.420 3.115 20 50 GGGDHM CC(C)(C(=O)NNc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC001573782621 949126717 /nfs/dbraw/zinc/12/67/17/949126717.db2.gz GBEIUTYVCCLTJS-UHFFFAOYSA-N -1 3 390.369 3.306 20 50 GGGDHM CC(C)(C(=O)NNc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC001573782621 949126737 /nfs/dbraw/zinc/12/67/37/949126737.db2.gz GBEIUTYVCCLTJS-UHFFFAOYSA-N -1 3 390.369 3.306 20 50 GGGDHM CCN(CC)[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccsc1 ZINC001596254209 983661688 /nfs/dbraw/zinc/66/16/88/983661688.db2.gz FBTHJBQCDYCZPB-INIZCTEOSA-N -1 3 376.482 3.156 20 50 GGGDHM CCN(CC)[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1C)c1ccsc1 ZINC001596254586 983664006 /nfs/dbraw/zinc/66/40/06/983664006.db2.gz UWAUTGVLIAUZHN-QGZVFWFLSA-N -1 3 390.509 3.464 20 50 GGGDHM COc1ccc([C@@H](NCc2ccc(OCCCCl)cc2)C(=O)[O-])cc1O ZINC001599533306 997697948 /nfs/dbraw/zinc/69/79/48/997697948.db2.gz ZSRQKMGMHXVVGF-GOSISDBHSA-N -1 3 379.840 3.324 20 50 GGGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)n1-c1cccc(C)c1 ZINC000826295583 607335977 /nfs/dbraw/zinc/33/59/77/607335977.db2.gz NXTYZUQXWJFOAL-UHFFFAOYSA-N -1 3 387.447 3.340 20 50 GGGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)n1-c1cccc(C)c1 ZINC000826295583 607335978 /nfs/dbraw/zinc/33/59/78/607335978.db2.gz NXTYZUQXWJFOAL-UHFFFAOYSA-N -1 3 387.447 3.340 20 50 GGGDHM O=C(C=Cc1cccc(OC2CCCC2)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826400649 607354142 /nfs/dbraw/zinc/35/41/42/607354142.db2.gz DMBDJGXVUSJNOT-MDWZMJQESA-N -1 3 390.447 3.345 20 50 GGGDHM COc1ccc2cc(C=CC(=O)NNc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000826213445 607355153 /nfs/dbraw/zinc/35/51/53/607355153.db2.gz WZOGSLIAWHMMNZ-QDEBKDIKSA-N -1 3 386.415 3.185 20 50 GGGDHM Cn1c2ccccc2c2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)sc21 ZINC000826356267 607355550 /nfs/dbraw/zinc/35/55/50/607355550.db2.gz JCZVVJYHLHIHSN-UHFFFAOYSA-N -1 3 389.444 3.330 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1sccc1-c1ccc(F)cc1 ZINC000826447502 607354698 /nfs/dbraw/zinc/35/46/98/607354698.db2.gz INOSBQRFNDZULG-UHFFFAOYSA-N -1 3 380.408 3.491 20 50 GGGDHM N#Cc1ccc(Oc2cccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000826386040 607356703 /nfs/dbraw/zinc/35/67/03/607356703.db2.gz MLOGZCDXMGNJOU-UHFFFAOYSA-N -1 3 397.398 3.288 20 50 GGGDHM O=C(C=Cc1cccc(F)c1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826401474 607394824 /nfs/dbraw/zinc/39/48/24/607394824.db2.gz ZVFMIEVCFUUORR-DAXSKMNVSA-N -1 3 392.316 3.181 20 50 GGGDHM O=C(C=Cc1cccc(F)c1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826401474 607394825 /nfs/dbraw/zinc/39/48/25/607394825.db2.gz ZVFMIEVCFUUORR-DAXSKMNVSA-N -1 3 392.316 3.181 20 50 GGGDHM Cc1ccc(NNC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826291773 607457414 /nfs/dbraw/zinc/45/74/14/607457414.db2.gz VNYFLSVCELOVQP-UHFFFAOYSA-N -1 3 390.403 3.104 20 50 GGGDHM Cc1ccc(NNC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826291773 607457415 /nfs/dbraw/zinc/45/74/15/607457415.db2.gz VNYFLSVCELOVQP-UHFFFAOYSA-N -1 3 390.403 3.104 20 50 GGGDHM O=C(CCCCc1nc2ccccc2s1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406420 607717642 /nfs/dbraw/zinc/71/76/42/607717642.db2.gz WNFFZSVGCULITF-UHFFFAOYSA-N -1 3 393.476 3.333 20 50 GGGDHM O=C(CCCCc1nc2ccccc2s1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406420 607717644 /nfs/dbraw/zinc/71/76/44/607717644.db2.gz WNFFZSVGCULITF-UHFFFAOYSA-N -1 3 393.476 3.333 20 50 GGGDHM COc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1OCCC(C)C ZINC000826177708 607718907 /nfs/dbraw/zinc/71/89/07/607718907.db2.gz RMGPGPSYOWICFW-UHFFFAOYSA-N -1 3 396.451 3.057 20 50 GGGDHM COc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1OCCC(C)C ZINC000826177708 607718909 /nfs/dbraw/zinc/71/89/09/607718909.db2.gz RMGPGPSYOWICFW-UHFFFAOYSA-N -1 3 396.451 3.057 20 50 GGGDHM CC(C)(C)c1ccc2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000824136280 607720032 /nfs/dbraw/zinc/72/00/32/607720032.db2.gz OLZJJHUUQZDUDA-UHFFFAOYSA-N -1 3 375.436 3.402 20 50 GGGDHM CC(C)(C)c1ccc2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000824136280 607720034 /nfs/dbraw/zinc/72/00/34/607720034.db2.gz OLZJJHUUQZDUDA-UHFFFAOYSA-N -1 3 375.436 3.402 20 50 GGGDHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826401115 607722981 /nfs/dbraw/zinc/72/29/81/607722981.db2.gz QATBSHIFNNCCFN-HJWRWDBZSA-N -1 3 391.822 3.225 20 50 GGGDHM O=C(C=Cc1ccc2ccc(Cl)cc2n1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826401115 607722983 /nfs/dbraw/zinc/72/29/83/607722983.db2.gz QATBSHIFNNCCFN-HJWRWDBZSA-N -1 3 391.822 3.225 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(SC(F)(F)F)cc1 ZINC000826448970 607723357 /nfs/dbraw/zinc/72/33/57/607723357.db2.gz VOXNDPODQLMLAF-UHFFFAOYSA-N -1 3 380.355 3.236 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(SC(F)(F)F)cc1 ZINC000826448970 607723359 /nfs/dbraw/zinc/72/33/59/607723359.db2.gz VOXNDPODQLMLAF-UHFFFAOYSA-N -1 3 380.355 3.236 20 50 GGGDHM Cc1nc(-c2ccsc2)ccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826322896 607726662 /nfs/dbraw/zinc/72/66/62/607726662.db2.gz GHAJXUIBXOIALT-UHFFFAOYSA-N -1 3 377.433 3.056 20 50 GGGDHM Cc1nc(-c2ccsc2)ccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826322896 607726664 /nfs/dbraw/zinc/72/66/64/607726664.db2.gz GHAJXUIBXOIALT-UHFFFAOYSA-N -1 3 377.433 3.056 20 50 GGGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000824040325 607726909 /nfs/dbraw/zinc/72/69/09/607726909.db2.gz OBWDBJZKMXDKJP-VIFPVBQESA-N -1 3 377.235 3.420 20 50 GGGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000824040325 607726912 /nfs/dbraw/zinc/72/69/12/607726912.db2.gz OBWDBJZKMXDKJP-VIFPVBQESA-N -1 3 377.235 3.420 20 50 GGGDHM Cc1nc(-c2cccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000826322279 607728457 /nfs/dbraw/zinc/72/84/57/607728457.db2.gz GBFZMEUONUCBAJ-UHFFFAOYSA-N -1 3 377.433 3.056 20 50 GGGDHM Cc1nc(-c2cccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2)cs1 ZINC000826322279 607728459 /nfs/dbraw/zinc/72/84/59/607728459.db2.gz GBFZMEUONUCBAJ-UHFFFAOYSA-N -1 3 377.433 3.056 20 50 GGGDHM CC(C)(C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000824064511 607728756 /nfs/dbraw/zinc/72/87/56/607728756.db2.gz JXAVXYBPPNIWMU-UHFFFAOYSA-N -1 3 390.369 3.306 20 50 GGGDHM CC(C)(C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000824064511 607728758 /nfs/dbraw/zinc/72/87/58/607728758.db2.gz JXAVXYBPPNIWMU-UHFFFAOYSA-N -1 3 390.369 3.306 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1coc2ccccc12 ZINC000823281026 606126320 /nfs/dbraw/zinc/12/63/20/606126320.db2.gz LYOURUQBPRBGBX-UHFFFAOYSA-N -1 3 388.309 3.389 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1coc2ccccc12 ZINC000823281026 606126321 /nfs/dbraw/zinc/12/63/21/606126321.db2.gz LYOURUQBPRBGBX-UHFFFAOYSA-N -1 3 388.309 3.389 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc2cccnc21 ZINC000823281165 606129376 /nfs/dbraw/zinc/12/93/76/606129376.db2.gz NAZPLGKJARFZNM-UHFFFAOYSA-N -1 3 399.336 3.191 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2cccnc21 ZINC000823281165 606129378 /nfs/dbraw/zinc/12/93/78/606129378.db2.gz NAZPLGKJARFZNM-UHFFFAOYSA-N -1 3 399.336 3.191 20 50 GGGDHM CC(C)CCOc1ccc(C(=O)NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824249419 607882438 /nfs/dbraw/zinc/88/24/38/607882438.db2.gz NJSAUHBZJNJXNY-UHFFFAOYSA-N -1 3 378.436 3.056 20 50 GGGDHM CC(C)CCOc1ccc(C(=O)NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000824249419 607882439 /nfs/dbraw/zinc/88/24/39/607882439.db2.gz NJSAUHBZJNJXNY-UHFFFAOYSA-N -1 3 378.436 3.056 20 50 GGGDHM CCCCC=NNC(=O)COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825268582 607882561 /nfs/dbraw/zinc/88/25/61/607882561.db2.gz VMGSKYRNUNOEEV-UHFFFAOYSA-N -1 3 378.436 3.205 20 50 GGGDHM CCCCC=NNC(=O)COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825268582 607882562 /nfs/dbraw/zinc/88/25/62/607882562.db2.gz VMGSKYRNUNOEEV-UHFFFAOYSA-N -1 3 378.436 3.205 20 50 GGGDHM COc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1OC(F)F ZINC000826215794 608214939 /nfs/dbraw/zinc/21/49/39/608214939.db2.gz YZMRWDAXUSPRIJ-NTEUORMPSA-N -1 3 397.341 3.267 20 50 GGGDHM COc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1OC(F)F ZINC000826215794 608214941 /nfs/dbraw/zinc/21/49/41/608214941.db2.gz YZMRWDAXUSPRIJ-NTEUORMPSA-N -1 3 397.341 3.267 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1OC ZINC000826190806 608214964 /nfs/dbraw/zinc/21/49/64/608214964.db2.gz NWFCHLSPBUDMOP-ZSOIEALJSA-N -1 3 395.806 3.327 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1OC ZINC000826190806 608214966 /nfs/dbraw/zinc/21/49/66/608214966.db2.gz NWFCHLSPBUDMOP-ZSOIEALJSA-N -1 3 395.806 3.327 20 50 GGGDHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824457182 608318079 /nfs/dbraw/zinc/31/80/79/608318079.db2.gz GXDBXABRAZPICP-HNNXBMFYSA-N -1 3 387.447 3.229 20 50 GGGDHM CCN(c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000825444445 608803997 /nfs/dbraw/zinc/80/39/97/608803997.db2.gz NPDDEBXROBLHTN-UHFFFAOYSA-N -1 3 380.456 3.250 20 50 GGGDHM CCN(c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000825444445 608804000 /nfs/dbraw/zinc/80/40/00/608804000.db2.gz NPDDEBXROBLHTN-UHFFFAOYSA-N -1 3 380.456 3.250 20 50 GGGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000826291201 608805497 /nfs/dbraw/zinc/80/54/97/608805497.db2.gz UPBHEAFMGHRGIH-UHFFFAOYSA-N -1 3 377.330 3.343 20 50 GGGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000826291201 608805499 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O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826447780 608813144 /nfs/dbraw/zinc/81/31/44/608813144.db2.gz VSLUMDXWTYDPPG-UHFFFAOYSA-N -1 3 382.186 3.461 20 50 GGGDHM Cc1c(Cl)cc(F)c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826236581 608816569 /nfs/dbraw/zinc/81/65/69/608816569.db2.gz SIJUQKCTOYMZHX-UHFFFAOYSA-N -1 3 379.758 3.255 20 50 GGGDHM Cc1c(Cl)cc(F)c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826236581 608816570 /nfs/dbraw/zinc/81/65/70/608816570.db2.gz SIJUQKCTOYMZHX-UHFFFAOYSA-N -1 3 379.758 3.255 20 50 GGGDHM CCc1nn(C)cc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825762678 608874373 /nfs/dbraw/zinc/87/43/73/608874373.db2.gz GNZPBRXGBKLRLH-ZSOIEALJSA-N -1 3 388.460 3.350 20 50 GGGDHM CCc1nn(C)cc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825762678 608874376 /nfs/dbraw/zinc/87/43/76/608874376.db2.gz GNZPBRXGBKLRLH-ZSOIEALJSA-N -1 3 388.460 3.350 20 50 GGGDHM Cc1ccc(C=C(C#N)C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826286005 609155550 /nfs/dbraw/zinc/15/55/50/609155550.db2.gz PRSBPNRCUGHJQO-NVNXTCNLSA-N -1 3 379.807 3.479 20 50 GGGDHM Cc1ccc(C=C(C#N)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826286005 609155552 /nfs/dbraw/zinc/15/55/52/609155552.db2.gz PRSBPNRCUGHJQO-NVNXTCNLSA-N -1 3 379.807 3.479 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826448128 609166868 /nfs/dbraw/zinc/16/68/68/609166868.db2.gz JGGHJHLNTHTPLD-UHFFFAOYSA-N -1 3 395.757 3.270 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000826448128 609166869 /nfs/dbraw/zinc/16/68/69/609166869.db2.gz JGGHJHLNTHTPLD-UHFFFAOYSA-N -1 3 395.757 3.270 20 50 GGGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C1CCCC[C@H]1c1ccccc1 ZINC000737932567 945160380 /nfs/dbraw/zinc/16/03/80/945160380.db2.gz YWVXNGWWLJDLAO-INIZCTEOSA-N -1 3 390.447 3.076 20 50 GGGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C1CCCC[C@H]1c1ccccc1 ZINC000737932567 945160386 /nfs/dbraw/zinc/16/03/86/945160386.db2.gz YWVXNGWWLJDLAO-INIZCTEOSA-N -1 3 390.447 3.076 20 50 GGGDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NNc1ccc(Cl)cc1Cl ZINC000738101550 945191357 /nfs/dbraw/zinc/19/13/57/945191357.db2.gz ZQHOGARTLMVZDL-UHFFFAOYSA-N -1 3 396.213 3.139 20 50 GGGDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NNc1ccc(Cl)cc1Cl ZINC000738101550 945191362 /nfs/dbraw/zinc/19/13/62/945191362.db2.gz ZQHOGARTLMVZDL-UHFFFAOYSA-N -1 3 396.213 3.139 20 50 GGGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000735448000 944655518 /nfs/dbraw/zinc/65/55/18/944655518.db2.gz NOPPJLLUTQTEKV-UHFFFAOYSA-N -1 3 375.219 3.328 20 50 GGGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000735448000 944655528 /nfs/dbraw/zinc/65/55/28/944655528.db2.gz NOPPJLLUTQTEKV-UHFFFAOYSA-N -1 3 375.219 3.328 20 50 GGGDHM C[C@H]1CCCC1=NNC(=O)COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736261026 944779825 /nfs/dbraw/zinc/77/98/25/944779825.db2.gz JTJYBEDCUDYAID-AWEZNQCLSA-N -1 3 390.447 3.205 20 50 GGGDHM C[C@H]1CCCC1=NNC(=O)COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736261026 944779834 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394.366 3.181 20 50 GGGDHM CCOC(=O)C(C#N)=CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821313483 945667573 /nfs/dbraw/zinc/66/75/73/945667573.db2.gz GBUYFXVFNITPKG-VAWYXSNFSA-N -1 3 394.366 3.181 20 50 GGGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000821475828 945702921 /nfs/dbraw/zinc/70/29/21/945702921.db2.gz APCWWBGIMAYDCF-UHFFFAOYSA-N -1 3 379.449 3.212 20 50 GGGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000821475828 945702926 /nfs/dbraw/zinc/70/29/26/945702926.db2.gz APCWWBGIMAYDCF-UHFFFAOYSA-N -1 3 379.449 3.212 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821787275 945865522 /nfs/dbraw/zinc/86/55/22/945865522.db2.gz QSCQSIBDRABHNE-VVBXCHJUSA-N -1 3 375.388 3.087 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821787275 945865533 /nfs/dbraw/zinc/86/55/33/945865533.db2.gz QSCQSIBDRABHNE-VVBXCHJUSA-N -1 3 375.388 3.087 20 50 GGGDHM COc1ccccc1[C@@H](CC(C)C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000821882628 945893245 /nfs/dbraw/zinc/89/32/45/945893245.db2.gz GGOJZZPMZSWNSW-QGZVFWFLSA-N -1 3 395.467 3.289 20 50 GGGDHM COc1ccccc1[C@@H](CC(C)C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000821882628 945893258 /nfs/dbraw/zinc/89/32/58/945893258.db2.gz GGOJZZPMZSWNSW-QGZVFWFLSA-N -1 3 395.467 3.289 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccccc2C)cc(-c2nnn[n-]2)n1C ZINC000822345961 946059709 /nfs/dbraw/zinc/05/97/09/946059709.db2.gz YBENLXNGBSUQAQ-FSEGOYHTSA-N -1 3 376.420 3.033 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccccc2C)cc(-c2nn[n-]n2)n1C ZINC000822345961 946059723 /nfs/dbraw/zinc/05/97/23/946059723.db2.gz YBENLXNGBSUQAQ-FSEGOYHTSA-N -1 3 376.420 3.033 20 50 GGGDHM N#CC=C(c1ccccc1)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822806108 946192042 /nfs/dbraw/zinc/19/20/42/946192042.db2.gz IYVDFZJVAMBYFU-UKWGHVSLSA-N -1 3 399.458 3.082 20 50 GGGDHM N#CC=C(c1ccccc1)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822806108 946192056 /nfs/dbraw/zinc/19/20/56/946192056.db2.gz IYVDFZJVAMBYFU-UKWGHVSLSA-N -1 3 399.458 3.082 20 50 GGGDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000823082149 946304522 /nfs/dbraw/zinc/30/45/22/946304522.db2.gz BQOWPAPDBVEVEF-UHFFFAOYSA-N -1 3 375.344 3.076 20 50 GGGDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000823082149 946304533 /nfs/dbraw/zinc/30/45/33/946304533.db2.gz BQOWPAPDBVEVEF-UHFFFAOYSA-N -1 3 375.344 3.076 20 50 GGGDHM C=CCCC[C@H](C)NC(=O)NNc1cc(-c2nnn[n-]2)ccc1Br ZINC001573334966 947466346 /nfs/dbraw/zinc/46/63/46/947466346.db2.gz KHACUEGXUNXBHW-JTQLQIEISA-N -1 3 394.277 3.000 20 50 GGGDHM C=CCCC[C@H](C)NC(=O)NNc1cc(-c2nn[n-]n2)ccc1Br ZINC001573334966 947466354 /nfs/dbraw/zinc/46/63/54/947466354.db2.gz KHACUEGXUNXBHW-JTQLQIEISA-N -1 3 394.277 3.000 20 50 GGGDHM Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826273037 947792567 /nfs/dbraw/zinc/79/25/67/947792567.db2.gz MXDAARIAKCNUAK-UHFFFAOYSA-N -1 3 393.838 3.063 20 50 GGGDHM Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826273037 947792572 /nfs/dbraw/zinc/79/25/72/947792572.db2.gz MXDAARIAKCNUAK-UHFFFAOYSA-N -1 3 393.838 3.063 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826448202 948311787 /nfs/dbraw/zinc/31/17/87/948311787.db2.gz LWGIWPHNAZKVII-HNNXBMFYSA-N -1 3 399.842 3.060 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000826448202 948311794 /nfs/dbraw/zinc/31/17/94/948311794.db2.gz LWGIWPHNAZKVII-HNNXBMFYSA-N -1 3 399.842 3.060 20 50 GGGDHM CC(C)(C(=O)NNc1ccc(Cl)cc1F)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573782929 949137892 /nfs/dbraw/zinc/13/78/92/949137892.db2.gz NUXHWVDATXYHCK-UHFFFAOYSA-N -1 3 392.797 3.219 20 50 GGGDHM CC(C)(C(=O)NNc1ccc(Cl)cc1F)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573782929 949137902 /nfs/dbraw/zinc/13/79/02/949137902.db2.gz NUXHWVDATXYHCK-UHFFFAOYSA-N -1 3 392.797 3.219 20 50 GGGDHM C[C@H]1CCC[C@@H](NC(=O)NNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001576155086 949379055 /nfs/dbraw/zinc/37/90/55/949379055.db2.gz SRMDLBBMJAXYLT-GXSJLCMTSA-N -1 3 383.378 3.090 20 50 GGGDHM C[C@@H](CNC(=O)NNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(C)(C)C ZINC001574950748 949544994 /nfs/dbraw/zinc/54/49/94/949544994.db2.gz TXDOTEAQOBOWQA-VIFPVBQESA-N -1 3 385.394 3.194 20 50 GGGDHM Cc1cc(C)c(C(=O)CCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263322 607334492 /nfs/dbraw/zinc/33/44/92/607334492.db2.gz VSFOKOLGVBEKRP-UHFFFAOYSA-N -1 3 392.463 3.288 20 50 GGGDHM Cc1cc(C)c(C(=O)CCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263322 607334494 /nfs/dbraw/zinc/33/44/94/607334494.db2.gz VSFOKOLGVBEKRP-UHFFFAOYSA-N -1 3 392.463 3.288 20 50 GGGDHM O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826403883 607334515 /nfs/dbraw/zinc/33/45/15/607334515.db2.gz GXOADIYCZRQJQJ-CQSZACIVSA-N -1 3 376.342 3.046 20 50 GGGDHM O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826403883 607334517 /nfs/dbraw/zinc/33/45/17/607334517.db2.gz GXOADIYCZRQJQJ-CQSZACIVSA-N -1 3 376.342 3.046 20 50 GGGDHM Cn1c2ccccc2c2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)sc21 ZINC000826356607 607336056 /nfs/dbraw/zinc/33/60/56/607336056.db2.gz YHCUATVIWOXZGR-UHFFFAOYSA-N -1 3 389.444 3.330 20 50 GGGDHM N#Cc1ccc(Oc2cccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000826385936 607338199 /nfs/dbraw/zinc/33/81/99/607338199.db2.gz IBOJCIHAPJAKSR-UHFFFAOYSA-N -1 3 397.398 3.288 20 50 GGGDHM N#Cc1ccc(Oc2cccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000826385936 607338201 /nfs/dbraw/zinc/33/82/01/607338201.db2.gz IBOJCIHAPJAKSR-UHFFFAOYSA-N -1 3 397.398 3.288 20 50 GGGDHM Cc1cc(C(=O)NNc2ccccc2F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259778 607339149 /nfs/dbraw/zinc/33/91/49/607339149.db2.gz FUSAMDJIKPCYDF-UHFFFAOYSA-N -1 3 391.410 3.170 20 50 GGGDHM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000823942566 607341198 /nfs/dbraw/zinc/34/11/98/607341198.db2.gz GPRUNMXKJTVEPV-LUAWRHEFSA-N -1 3 388.353 3.432 20 50 GGGDHM Cc1ccc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826286135 607343234 /nfs/dbraw/zinc/34/32/34/607343234.db2.gz SRIBIRHDHGZJFY-RMKNXTFCSA-N -1 3 399.252 3.094 20 50 GGGDHM Cc1csc(-c2cccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000826320296 607344127 /nfs/dbraw/zinc/34/41/27/607344127.db2.gz LYGWLUSGLMSSAN-UHFFFAOYSA-N -1 3 377.433 3.056 20 50 GGGDHM CC(C)Cc1ccc(C(=O)CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280074 607351093 /nfs/dbraw/zinc/35/10/93/607351093.db2.gz CGTGFLPEOWXMOI-UHFFFAOYSA-N -1 3 392.463 3.171 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000826446163 607351657 /nfs/dbraw/zinc/35/16/57/607351657.db2.gz BXZDGMVVFLWJPA-IBGZPJMESA-N -1 3 386.415 3.130 20 50 GGGDHM COc1ccc2cc(C=CC(=O)NNc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000826213444 607355182 /nfs/dbraw/zinc/35/51/82/607355182.db2.gz WZOGSLIAWHMMNZ-JYOAFUTRSA-N -1 3 386.415 3.185 20 50 GGGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1ccccc1C ZINC000826305102 607355559 /nfs/dbraw/zinc/35/55/59/607355559.db2.gz KOYAVDOZNHJXDO-UHFFFAOYSA-N -1 3 387.447 3.340 20 50 GGGDHM N#Cc1ccc(NNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000826386181 607356766 /nfs/dbraw/zinc/35/67/66/607356766.db2.gz SLUXTLIHZSIBGO-UHFFFAOYSA-N -1 3 397.398 3.288 20 50 GGGDHM N#Cc1ccc(NNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000826386181 607356768 /nfs/dbraw/zinc/35/67/68/607356768.db2.gz SLUXTLIHZSIBGO-UHFFFAOYSA-N -1 3 397.398 3.288 20 50 GGGDHM Cc1ccc(C)c(NNC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000826285285 607381961 /nfs/dbraw/zinc/38/19/61/607381961.db2.gz UVUKZCNYCILGSE-SFHVURJKSA-N -1 3 380.452 3.030 20 50 GGGDHM Cc1ccc(C)c(NNC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000826285285 607381963 /nfs/dbraw/zinc/38/19/63/607381963.db2.gz UVUKZCNYCILGSE-SFHVURJKSA-N -1 3 380.452 3.030 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc2ccccc2[nH]1 ZINC000826446811 607395264 /nfs/dbraw/zinc/39/52/64/607395264.db2.gz ZTDROJPURNSRNX-UHFFFAOYSA-N -1 3 387.325 3.124 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc2ccccc2[nH]1 ZINC000826446811 607395265 /nfs/dbraw/zinc/39/52/65/607395265.db2.gz ZTDROJPURNSRNX-UHFFFAOYSA-N -1 3 387.325 3.124 20 50 GGGDHM Cc1ccc(C)c(OCCCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826284919 607717930 /nfs/dbraw/zinc/71/79/30/607717930.db2.gz KCQTZDMRVBBUPD-UHFFFAOYSA-N -1 3 380.452 3.176 20 50 GGGDHM Cc1ccc(C)c(OCCCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826284919 607717932 /nfs/dbraw/zinc/71/79/32/607717932.db2.gz KCQTZDMRVBBUPD-UHFFFAOYSA-N -1 3 380.452 3.176 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000826448341 607722004 /nfs/dbraw/zinc/72/20/04/607722004.db2.gz RAJRHLYIGPPZHK-ZIAGYGMSSA-N -1 3 389.246 3.420 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000826448341 607722006 /nfs/dbraw/zinc/72/20/06/607722006.db2.gz RAJRHLYIGPPZHK-ZIAGYGMSSA-N -1 3 389.246 3.420 20 50 GGGDHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824730814 607724016 /nfs/dbraw/zinc/72/40/16/607724016.db2.gz PTLMZQJCJMLDFJ-VIFPVBQESA-N -1 3 393.234 3.084 20 50 GGGDHM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824730814 607724018 /nfs/dbraw/zinc/72/40/18/607724018.db2.gz PTLMZQJCJMLDFJ-VIFPVBQESA-N -1 3 393.234 3.084 20 50 GGGDHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824739087 607729343 /nfs/dbraw/zinc/72/93/43/607729343.db2.gz UWXKAXIQKTVNFN-CYBMUJFWSA-N -1 3 380.452 3.075 20 50 GGGDHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824739087 607729345 /nfs/dbraw/zinc/72/93/45/607729345.db2.gz UWXKAXIQKTVNFN-CYBMUJFWSA-N -1 3 380.452 3.075 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc2cnccc21 ZINC000823281232 606128040 /nfs/dbraw/zinc/12/80/40/606128040.db2.gz PHDHINCURROXFK-UHFFFAOYSA-N -1 3 399.336 3.191 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2cnccc21 ZINC000823281232 606128041 /nfs/dbraw/zinc/12/80/41/606128041.db2.gz PHDHINCURROXFK-UHFFFAOYSA-N -1 3 399.336 3.191 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc2occc2s1 ZINC000823281211 606129136 /nfs/dbraw/zinc/12/91/36/606129136.db2.gz OKRQDRQBKLDEKU-UHFFFAOYSA-N -1 3 394.338 3.450 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc2occc2s1 ZINC000823281211 606129138 /nfs/dbraw/zinc/12/91/38/606129138.db2.gz OKRQDRQBKLDEKU-UHFFFAOYSA-N -1 3 394.338 3.450 20 50 GGGDHM O=C(Cc1cc2c(ccc3ccccc23)o1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421692 607807262 /nfs/dbraw/zinc/80/72/62/607807262.db2.gz URNCYURZKOAYCL-UHFFFAOYSA-N -1 3 384.399 3.452 20 50 GGGDHM O=C(Cc1cc2c(ccc3ccccc23)o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421692 607807263 /nfs/dbraw/zinc/80/72/63/607807263.db2.gz URNCYURZKOAYCL-UHFFFAOYSA-N -1 3 384.399 3.452 20 50 GGGDHM Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826267602 607882803 /nfs/dbraw/zinc/88/28/03/607882803.db2.gz MMJKSMGJWQTFDP-ZDUSSCGKSA-N -1 3 398.854 3.055 20 50 GGGDHM Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826267602 607882804 /nfs/dbraw/zinc/88/28/04/607882804.db2.gz MMJKSMGJWQTFDP-ZDUSSCGKSA-N -1 3 398.854 3.055 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1CCC(F)(F)F ZINC000826449010 607996022 /nfs/dbraw/zinc/99/60/22/607996022.db2.gz XPMPBXAVRKILAK-UHFFFAOYSA-N -1 3 376.342 3.119 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1CCC(F)(F)F ZINC000826449010 607996023 /nfs/dbraw/zinc/99/60/23/607996023.db2.gz XPMPBXAVRKILAK-UHFFFAOYSA-N -1 3 376.342 3.119 20 50 GGGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1OC(F)F ZINC000826178673 608214643 /nfs/dbraw/zinc/21/46/43/608214643.db2.gz HQHMPSLZWQGWTI-AUWJEWJLSA-N -1 3 397.341 3.267 20 50 GGGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000826178673 608214645 /nfs/dbraw/zinc/21/46/45/608214645.db2.gz HQHMPSLZWQGWTI-AUWJEWJLSA-N -1 3 397.341 3.267 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000826190570 608215046 /nfs/dbraw/zinc/21/50/46/608215046.db2.gz FZBAJDSHEGHHTJ-AUWJEWJLSA-N -1 3 397.341 3.267 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000826190570 608215049 /nfs/dbraw/zinc/21/50/49/608215049.db2.gz FZBAJDSHEGHHTJ-AUWJEWJLSA-N -1 3 397.341 3.267 20 50 GGGDHM COc1ccc(OC(F)F)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826211127 608218190 /nfs/dbraw/zinc/21/81/90/608218190.db2.gz QCACEWNUVXTCLN-ZSOIEALJSA-N -1 3 397.341 3.267 20 50 GGGDHM COc1ccc(OC(F)F)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826211127 608218192 /nfs/dbraw/zinc/21/81/92/608218192.db2.gz QCACEWNUVXTCLN-ZSOIEALJSA-N -1 3 397.341 3.267 20 50 GGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccccc1OC(F)F ZINC000826379061 608581119 /nfs/dbraw/zinc/58/11/19/608581119.db2.gz IDLDXZDYRLZSSX-GHXNOFRVSA-N -1 3 385.305 3.397 20 50 GGGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccccc1OC(F)F ZINC000826379061 608581120 /nfs/dbraw/zinc/58/11/20/608581120.db2.gz IDLDXZDYRLZSSX-GHXNOFRVSA-N -1 3 385.305 3.397 20 50 GGGDHM CCCOc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000825338795 608806305 /nfs/dbraw/zinc/80/63/05/608806305.db2.gz HVOSBSDSGZYYRJ-UHFFFAOYSA-N -1 3 387.831 3.458 20 50 GGGDHM CCCOc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000825338795 608806306 /nfs/dbraw/zinc/80/63/06/608806306.db2.gz HVOSBSDSGZYYRJ-UHFFFAOYSA-N -1 3 387.831 3.458 20 50 GGGDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826464523 608810263 /nfs/dbraw/zinc/81/02/63/608810263.db2.gz ZZZMIYYIUYKNSX-LQBHMHGISA-N -1 3 395.232 3.003 20 50 GGGDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826464523 608810267 /nfs/dbraw/zinc/81/02/67/608810267.db2.gz ZZZMIYYIUYKNSX-LQBHMHGISA-N -1 3 395.232 3.003 20 50 GGGDHM CC(C)(C)c1ccc(NNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824136615 609179663 /nfs/dbraw/zinc/17/96/63/609179663.db2.gz RKMGUGUCLIXITO-UHFFFAOYSA-N -1 3 383.431 3.130 20 50 GGGDHM CC(C)(C)c1ccc(NNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824136615 609179665 /nfs/dbraw/zinc/17/96/65/609179665.db2.gz RKMGUGUCLIXITO-UHFFFAOYSA-N -1 3 383.431 3.130 20 50 GGGDHM Cn1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359280 609308089 /nfs/dbraw/zinc/30/80/89/609308089.db2.gz BKORVCGLEQOSLF-YBEGLDIGSA-N -1 3 398.386 3.240 20 50 GGGDHM Cn1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359280 609308091 /nfs/dbraw/zinc/30/80/91/609308091.db2.gz BKORVCGLEQOSLF-YBEGLDIGSA-N -1 3 398.386 3.240 20 50 GGGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825233159 609309127 /nfs/dbraw/zinc/30/91/27/609309127.db2.gz NTMNVNDDLGTEST-ATTDUZETSA-N -1 3 375.436 3.179 20 50 GGGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825233159 609309129 /nfs/dbraw/zinc/30/91/29/609309129.db2.gz NTMNVNDDLGTEST-ATTDUZETSA-N -1 3 375.436 3.179 20 50 GGGDHM Cc1ccccc1NNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737437618 945068308 /nfs/dbraw/zinc/06/83/08/945068308.db2.gz XWUWJEFSNABSSI-UHFFFAOYSA-N -1 3 390.403 3.104 20 50 GGGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NNc1cccc(C(F)(F)F)c1 ZINC000737941568 945162861 /nfs/dbraw/zinc/16/28/61/945162861.db2.gz NMFIPNGGGYSLTH-UHFFFAOYSA-N -1 3 394.382 3.121 20 50 GGGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNc1cccc(C(F)(F)F)c1 ZINC000737941568 945162865 /nfs/dbraw/zinc/16/28/65/945162865.db2.gz NMFIPNGGGYSLTH-UHFFFAOYSA-N -1 3 394.382 3.121 20 50 GGGDHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)NNc1ccccc1 ZINC000738113260 945192379 /nfs/dbraw/zinc/19/23/79/945192379.db2.gz YDIUHZPQFUVMFV-UHFFFAOYSA-N -1 3 391.460 3.422 20 50 GGGDHM O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129140 945198779 /nfs/dbraw/zinc/19/87/79/945198779.db2.gz OVQUOXBFGJNTSH-UHFFFAOYSA-N -1 3 376.351 3.030 20 50 GGGDHM O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129140 945198786 /nfs/dbraw/zinc/19/87/86/945198786.db2.gz OVQUOXBFGJNTSH-UHFFFAOYSA-N -1 3 376.351 3.030 20 50 GGGDHM CC(C)CCOc1ccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735819969 944703395 /nfs/dbraw/zinc/70/33/95/944703395.db2.gz MVVLAUICHGLNQG-UHFFFAOYSA-N -1 3 378.436 3.056 20 50 GGGDHM CC(C)CCOc1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735819969 944703404 /nfs/dbraw/zinc/70/34/04/944703404.db2.gz MVVLAUICHGLNQG-UHFFFAOYSA-N -1 3 378.436 3.056 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc3ccccc3c2)cc(-c2nnn[n-]2)n1C ZINC000737212024 944988182 /nfs/dbraw/zinc/98/81/82/944988182.db2.gz GTEMQRDKLSZOJA-VXLYETTFSA-N -1 3 398.426 3.317 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc3ccccc3c2)cc(-c2nn[n-]n2)n1C ZINC000737212024 944988188 /nfs/dbraw/zinc/98/81/88/944988188.db2.gz GTEMQRDKLSZOJA-VXLYETTFSA-N -1 3 398.426 3.317 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](C(C)(C)C)CC2)cc(-c2nnn[n-]2)n1C ZINC000737212666 944995234 /nfs/dbraw/zinc/99/52/34/944995234.db2.gz LYVGHZZFLGPGMP-NIFLVVHWSA-N -1 3 395.511 3.095 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](C(C)(C)C)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212666 944995238 /nfs/dbraw/zinc/99/52/38/944995238.db2.gz LYVGHZZFLGPGMP-NIFLVVHWSA-N -1 3 395.511 3.095 20 50 GGGDHM COc1ccc(-c2ccccc2)cc1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821732082 945853380 /nfs/dbraw/zinc/85/33/80/945853380.db2.gz JRKVHXFEMYKOQK-UHFFFAOYSA-N -1 3 398.426 3.306 20 50 GGGDHM COc1ccc(-c2ccccc2)cc1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821732082 945853393 /nfs/dbraw/zinc/85/33/93/945853393.db2.gz JRKVHXFEMYKOQK-UHFFFAOYSA-N -1 3 398.426 3.306 20 50 GGGDHM COc1cccc(C=C(C#N)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821863532 945887528 /nfs/dbraw/zinc/88/75/28/945887528.db2.gz MPZMIVMISUCEMM-VZWMTCDZSA-N -1 3 375.388 3.087 20 50 GGGDHM COc1cccc(C=C(C#N)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821863532 945887540 /nfs/dbraw/zinc/88/75/40/945887540.db2.gz MPZMIVMISUCEMM-VZWMTCDZSA-N -1 3 375.388 3.087 20 50 GGGDHM CSc1ccccc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821985090 945914684 /nfs/dbraw/zinc/91/46/84/945914684.db2.gz YWEXJYSTHLGXMC-UHFFFAOYSA-N -1 3 394.382 3.364 20 50 GGGDHM CSc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821985090 945914692 /nfs/dbraw/zinc/91/46/92/945914692.db2.gz YWEXJYSTHLGXMC-UHFFFAOYSA-N -1 3 394.382 3.364 20 50 GGGDHM Cc1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)c1 ZINC000822226123 946003760 /nfs/dbraw/zinc/00/37/60/946003760.db2.gz DNMXVALUKYPGAX-UHFFFAOYSA-N -1 3 376.342 3.259 20 50 GGGDHM Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)c1 ZINC000822226123 946003773 /nfs/dbraw/zinc/00/37/73/946003773.db2.gz DNMXVALUKYPGAX-UHFFFAOYSA-N -1 3 376.342 3.259 20 50 GGGDHM Cc1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(F)c1 ZINC000822226607 946007689 /nfs/dbraw/zinc/00/76/89/946007689.db2.gz ZXQRJSDDYFZCJZ-UHFFFAOYSA-N -1 3 380.305 3.090 20 50 GGGDHM Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(F)c1 ZINC000822226607 946007696 /nfs/dbraw/zinc/00/76/96/946007696.db2.gz ZXQRJSDDYFZCJZ-UHFFFAOYSA-N -1 3 380.305 3.090 20 50 GGGDHM Cc1ccc(CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C ZINC000822234730 946018221 /nfs/dbraw/zinc/01/82/21/946018221.db2.gz FYWRPQCXMOIBPG-UHFFFAOYSA-N -1 3 390.369 3.188 20 50 GGGDHM Cc1ccc(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C ZINC000822234730 946018231 /nfs/dbraw/zinc/01/82/31/946018231.db2.gz FYWRPQCXMOIBPG-UHFFFAOYSA-N -1 3 390.369 3.188 20 50 GGGDHM Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822418983 946081746 /nfs/dbraw/zinc/08/17/46/946081746.db2.gz KZWDAXVAEQDZST-UHFFFAOYSA-N -1 3 395.473 3.124 20 50 GGGDHM Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822418983 946081761 /nfs/dbraw/zinc/08/17/61/946081761.db2.gz KZWDAXVAEQDZST-UHFFFAOYSA-N -1 3 395.473 3.124 20 50 GGGDHM Cc1oc(C)c(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1C ZINC000822540793 946119510 /nfs/dbraw/zinc/11/95/10/946119510.db2.gz GWMPRXNUNZCJRL-UHFFFAOYSA-N -1 3 380.330 3.161 20 50 GGGDHM Cc1oc(C)c(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1C ZINC000822540793 946119533 /nfs/dbraw/zinc/11/95/33/946119533.db2.gz GWMPRXNUNZCJRL-UHFFFAOYSA-N -1 3 380.330 3.161 20 50 GGGDHM O=C(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)c1cccc2ccccc21 ZINC000823269260 946363160 /nfs/dbraw/zinc/36/31/60/946363160.db2.gz BIAYPGBNCGMFRQ-UHFFFAOYSA-N -1 3 382.427 3.490 20 50 GGGDHM O=C(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)c1cccc2ccccc21 ZINC000823269260 946363176 /nfs/dbraw/zinc/36/31/76/946363176.db2.gz BIAYPGBNCGMFRQ-UHFFFAOYSA-N -1 3 382.427 3.490 20 50 GGGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NN=c1[nH]c2cc(Cl)ccc2cc1C ZINC000826249850 947726618 /nfs/dbraw/zinc/72/66/18/947726618.db2.gz YCWDFUMLXAFODM-UHFFFAOYSA-N -1 3 393.838 3.442 20 50 GGGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NN=c1[nH]c2cc(Cl)ccc2cc1C ZINC000826249850 947726636 /nfs/dbraw/zinc/72/66/36/947726636.db2.gz YCWDFUMLXAFODM-UHFFFAOYSA-N -1 3 393.838 3.442 20 50 GGGDHM O=C([O-])c1cc(OC(=O)C2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000740088690 978667808 /nfs/dbraw/zinc/66/78/08/978667808.db2.gz UOIMGCRGPPYPPT-UHFFFAOYSA-N -1 3 384.388 3.111 20 50 GGGDHM CN1CCN(Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)C[C@H](C(=O)[O-])C1 ZINC001598621422 994011375 /nfs/dbraw/zinc/01/13/75/994011375.db2.gz QJQQCRDEMINSDH-CQSZACIVSA-N -1 3 399.633 3.113 20 50 GGGDHM COc1ccc([C@H](NCc2ccc(OCCCCl)cc2)C(=O)[O-])cc1O ZINC001599533308 997698340 /nfs/dbraw/zinc/69/83/40/997698340.db2.gz ZSRQKMGMHXVVGF-SFHVURJKSA-N -1 3 379.840 3.324 20 50 GGGDHM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000823943910 607340203 /nfs/dbraw/zinc/34/02/03/607340203.db2.gz UZESQNBHYQZWIE-KHPPLWFESA-N -1 3 388.353 3.432 20 50 GGGDHM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000823943166 607341439 /nfs/dbraw/zinc/34/14/39/607341439.db2.gz OTCLLFQTDJJXLS-KHPPLWFESA-N -1 3 386.362 3.015 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000826446190 607342357 /nfs/dbraw/zinc/34/23/57/607342357.db2.gz CQODDYANPCIFAX-HUUCEWRRSA-N -1 3 389.246 3.420 20 50 GGGDHM COc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1OCCC(C)C ZINC000826177051 607344245 /nfs/dbraw/zinc/34/42/45/607344245.db2.gz PRRHERBSDTXHOS-UHFFFAOYSA-N -1 3 396.451 3.057 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000826446927 607346443 /nfs/dbraw/zinc/34/64/43/607346443.db2.gz FSFHGSNHOSBNKQ-UHFFFAOYSA-N -1 3 388.456 3.451 20 50 GGGDHM Cc1ccc(C)n1-c1sccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826284784 607351251 /nfs/dbraw/zinc/35/12/51/607351251.db2.gz FVCVIFUEYPUKLC-UHFFFAOYSA-N -1 3 379.449 3.093 20 50 GGGDHM CC[C@H](C)Oc1ccccc1C=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825074362 607353744 /nfs/dbraw/zinc/35/37/44/607353744.db2.gz GZBFBSHCQTXHEY-ZVHGMHCTSA-N -1 3 378.436 3.201 20 50 GGGDHM O=C(COc1ccc(Cl)c2ccccc12)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826417872 607355603 /nfs/dbraw/zinc/35/56/03/607355603.db2.gz JJMFVFIGMDDLSO-UHFFFAOYSA-N -1 3 394.822 3.195 20 50 GGGDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NNc1cccc2c1CCCC2 ZINC000826420206 607393919 /nfs/dbraw/zinc/39/39/19/607393919.db2.gz CSYOXPICTSWERQ-UHFFFAOYSA-N -1 3 394.504 3.122 20 50 GGGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NNc1cccc2c1CCCC2 ZINC000826420206 607393921 /nfs/dbraw/zinc/39/39/21/607393921.db2.gz CSYOXPICTSWERQ-UHFFFAOYSA-N -1 3 394.504 3.122 20 50 GGGDHM CC(=CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000823942548 607714494 /nfs/dbraw/zinc/71/44/94/607714494.db2.gz FZCLZARZTPSFJC-LUAWRHEFSA-N -1 3 386.362 3.015 20 50 GGGDHM CC(=CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000823942548 607714496 /nfs/dbraw/zinc/71/44/96/607714496.db2.gz FZCLZARZTPSFJC-LUAWRHEFSA-N -1 3 386.362 3.015 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000826447598 607726614 /nfs/dbraw/zinc/72/66/14/607726614.db2.gz NAANUNKVNDUHDU-UHFFFAOYSA-N -1 3 388.353 3.060 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000826447598 607726616 /nfs/dbraw/zinc/72/66/16/607726616.db2.gz NAANUNKVNDUHDU-UHFFFAOYSA-N -1 3 388.353 3.060 20 50 GGGDHM O=C(CCc1ccc(Cl)c(Cl)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408913 607726668 /nfs/dbraw/zinc/72/66/68/607726668.db2.gz ZNWFIYBYTRIQHP-UHFFFAOYSA-N -1 3 377.235 3.249 20 50 GGGDHM O=C(CCc1ccc(Cl)c(Cl)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408913 607726670 /nfs/dbraw/zinc/72/66/70/607726670.db2.gz ZNWFIYBYTRIQHP-UHFFFAOYSA-N -1 3 377.235 3.249 20 50 GGGDHM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000824039349 607732345 /nfs/dbraw/zinc/73/23/45/607732345.db2.gz DPIQCLOSVAGDHL-SECBINFHSA-N -1 3 377.235 3.420 20 50 GGGDHM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000824039349 607732346 /nfs/dbraw/zinc/73/23/46/607732346.db2.gz DPIQCLOSVAGDHL-SECBINFHSA-N -1 3 377.235 3.420 20 50 GGGDHM CC[C@H](C)Oc1ccccc1C=CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825074683 607733261 /nfs/dbraw/zinc/73/32/61/607733261.db2.gz JTOYVZYZLIRXTI-NYHXXUGCSA-N -1 3 378.436 3.201 20 50 GGGDHM CC[C@H](C)Oc1ccccc1C=CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825074683 607733263 /nfs/dbraw/zinc/73/32/63/607733263.db2.gz JTOYVZYZLIRXTI-NYHXXUGCSA-N -1 3 378.436 3.201 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2cc[nH]c2c1 ZINC000823280772 606126114 /nfs/dbraw/zinc/12/61/14/606126114.db2.gz FUTPBQOBCYRRQQ-UHFFFAOYSA-N -1 3 387.325 3.124 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2cc[nH]c2c1 ZINC000823280772 606126116 /nfs/dbraw/zinc/12/61/16/606126116.db2.gz FUTPBQOBCYRRQQ-UHFFFAOYSA-N -1 3 387.325 3.124 20 50 GGGDHM COc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826209521 607883375 /nfs/dbraw/zinc/88/33/75/607883375.db2.gz GGMGTBUTCQZLBG-WQLSENKSSA-N -1 3 380.795 3.074 20 50 GGGDHM COc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826209521 607883376 /nfs/dbraw/zinc/88/33/76/607883376.db2.gz GGMGTBUTCQZLBG-WQLSENKSSA-N -1 3 380.795 3.074 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccc(F)c(F)c2)cc(-c2nnn[n-]2)n1C ZINC000826235558 608194039 /nfs/dbraw/zinc/19/40/39/608194039.db2.gz LWXZYWQNYZARSY-RZBIUYHXSA-N -1 3 398.373 3.003 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccc(F)c(F)c2)cc(-c2nn[n-]n2)n1C ZINC000826235558 608194040 /nfs/dbraw/zinc/19/40/40/608194040.db2.gz LWXZYWQNYZARSY-RZBIUYHXSA-N -1 3 398.373 3.003 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826191067 608287840 /nfs/dbraw/zinc/28/78/40/608287840.db2.gz WEATWYUQBCRUGY-WUXMJOGZSA-N -1 3 383.770 3.458 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826191067 608287841 /nfs/dbraw/zinc/28/78/41/608287841.db2.gz WEATWYUQBCRUGY-WUXMJOGZSA-N -1 3 383.770 3.458 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(C(F)(F)F)ccc1F ZINC000826448249 608810913 /nfs/dbraw/zinc/81/09/13/608810913.db2.gz NVDNRRFEUVOLIN-UHFFFAOYSA-N -1 3 381.293 3.173 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cc(C(F)(F)F)ccc1F ZINC000826448249 608810915 /nfs/dbraw/zinc/81/09/15/608810915.db2.gz NVDNRRFEUVOLIN-UHFFFAOYSA-N -1 3 381.293 3.173 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000826448116 608813044 /nfs/dbraw/zinc/81/30/44/608813044.db2.gz JBXBCVZKUIHHRF-UHFFFAOYSA-N -1 3 399.414 3.246 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000826448116 608813047 /nfs/dbraw/zinc/81/30/47/608813047.db2.gz JBXBCVZKUIHHRF-UHFFFAOYSA-N -1 3 399.414 3.246 20 50 GGGDHM O=C(NNc1ccc(F)c(F)c1F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826447427 608817511 /nfs/dbraw/zinc/81/75/11/608817511.db2.gz FLZBQBLIXBYQGP-UHFFFAOYSA-N -1 3 383.721 3.086 20 50 GGGDHM O=C(NNc1ccc(F)c(F)c1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826447427 608817515 /nfs/dbraw/zinc/81/75/15/608817515.db2.gz FLZBQBLIXBYQGP-UHFFFAOYSA-N -1 3 383.721 3.086 20 50 GGGDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NNc2ccccn2)cc1 ZINC000826255399 609262968 /nfs/dbraw/zinc/26/29/68/609262968.db2.gz XDKCKNLNGYDDII-UHFFFAOYSA-N -1 3 387.403 3.119 20 50 GGGDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NNc2ccccn2)cc1 ZINC000826255399 609262969 /nfs/dbraw/zinc/26/29/69/609262969.db2.gz XDKCKNLNGYDDII-UHFFFAOYSA-N -1 3 387.403 3.119 20 50 GGGDHM O=C(NNc1ccccn1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826449437 609263460 /nfs/dbraw/zinc/26/34/60/609263460.db2.gz SMUDGAOLBRJHII-UHFFFAOYSA-N -1 3 389.444 3.170 20 50 GGGDHM O=C(NNc1ccccn1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826449437 609263462 /nfs/dbraw/zinc/26/34/62/609263462.db2.gz SMUDGAOLBRJHII-UHFFFAOYSA-N -1 3 389.444 3.170 20 50 GGGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825233163 609308948 /nfs/dbraw/zinc/30/89/48/609308948.db2.gz NTMNVNDDLGTEST-YDRQLGOLSA-N -1 3 375.436 3.179 20 50 GGGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825233163 609308950 /nfs/dbraw/zinc/30/89/50/609308950.db2.gz NTMNVNDDLGTEST-YDRQLGOLSA-N -1 3 375.436 3.179 20 50 GGGDHM N#Cc1ccccc1Oc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826387307 609391704 /nfs/dbraw/zinc/39/17/04/609391704.db2.gz ORBUYGNWLVSTNB-UHFFFAOYSA-N -1 3 397.398 3.288 20 50 GGGDHM N#Cc1ccccc1Oc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826387307 609391706 /nfs/dbraw/zinc/39/17/06/609391706.db2.gz ORBUYGNWLVSTNB-UHFFFAOYSA-N -1 3 397.398 3.288 20 50 GGGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)c1cc2ccccc2o1 ZINC000737672764 945110727 /nfs/dbraw/zinc/11/07/27/945110727.db2.gz QDKKNJDSXLLIOZ-AUWJEWJLSA-N -1 3 381.355 3.050 20 50 GGGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)C(=O)c1cc2ccccc2o1 ZINC000737672764 945110730 /nfs/dbraw/zinc/11/07/30/945110730.db2.gz QDKKNJDSXLLIOZ-AUWJEWJLSA-N -1 3 381.355 3.050 20 50 GGGDHM O=C(NN=C1CCSc2ccc(Cl)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738129246 945200838 /nfs/dbraw/zinc/20/08/38/945200838.db2.gz RQLSLSGTTZSGHO-UHFFFAOYSA-N -1 3 384.852 3.150 20 50 GGGDHM O=C(NN=C1CCSc2ccc(Cl)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738129246 945200842 /nfs/dbraw/zinc/20/08/42/945200842.db2.gz RQLSLSGTTZSGHO-UHFFFAOYSA-N -1 3 384.852 3.150 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736636931 944861313 /nfs/dbraw/zinc/86/13/13/944861313.db2.gz LQBVUUPLEFCNTB-OQLLNIDSSA-N -1 3 393.378 3.055 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736636931 944861322 /nfs/dbraw/zinc/86/13/22/944861322.db2.gz LQBVUUPLEFCNTB-OQLLNIDSSA-N -1 3 393.378 3.055 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2c[nH]c3cc(F)ccc32)cc1-c1nnn[n-]1 ZINC000737078197 944948569 /nfs/dbraw/zinc/94/85/69/944948569.db2.gz ZAQWXSJGHAFJQY-SDQBBNPISA-N -1 3 388.362 3.286 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2c[nH]c3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000737078197 944948580 /nfs/dbraw/zinc/94/85/80/944948580.db2.gz ZAQWXSJGHAFJQY-SDQBBNPISA-N -1 3 388.362 3.286 20 50 GGGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737198122 944980640 /nfs/dbraw/zinc/98/06/40/944980640.db2.gz GKEKBSYUIYCUDF-ZSOIEALJSA-N -1 3 394.398 3.094 20 50 GGGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737198122 944980646 /nfs/dbraw/zinc/98/06/46/944980646.db2.gz GKEKBSYUIYCUDF-ZSOIEALJSA-N -1 3 394.398 3.094 20 50 GGGDHM Cc1cccc(NNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737400317 945057950 /nfs/dbraw/zinc/05/79/50/945057950.db2.gz TWNTXFNCLCLLQS-UHFFFAOYSA-N -1 3 387.403 3.119 20 50 GGGDHM Cc1cccc(NNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737400317 945057959 /nfs/dbraw/zinc/05/79/59/945057959.db2.gz TWNTXFNCLCLLQS-UHFFFAOYSA-N -1 3 387.403 3.119 20 50 GGGDHM CCc1ccc(CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821480858 945707017 /nfs/dbraw/zinc/70/70/17/945707017.db2.gz FPMLMFFSFMBPPI-UHFFFAOYSA-N -1 3 390.369 3.134 20 50 GGGDHM CCc1ccc(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821480858 945707020 /nfs/dbraw/zinc/70/70/20/945707020.db2.gz FPMLMFFSFMBPPI-UHFFFAOYSA-N -1 3 390.369 3.134 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)c2ccccc2Cl)cc(-c2nnn[n-]2)n1C ZINC000822027160 945928565 /nfs/dbraw/zinc/92/85/65/945928565.db2.gz DUDKHPMSAICTCI-ZBQKXELDSA-N -1 3 396.838 3.378 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)c2ccccc2Cl)cc(-c2nn[n-]n2)n1C ZINC000822027160 945928577 /nfs/dbraw/zinc/92/85/77/945928577.db2.gz DUDKHPMSAICTCI-ZBQKXELDSA-N -1 3 396.838 3.378 20 50 GGGDHM COc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc(OC)c1C(C)C ZINC000826180407 947558871 /nfs/dbraw/zinc/55/88/71/947558871.db2.gz GKLGNONTRKSOQV-UHFFFAOYSA-N -1 3 397.439 3.156 20 50 GGGDHM COc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc(OC)c1C(C)C ZINC000826180407 947558882 /nfs/dbraw/zinc/55/88/82/947558882.db2.gz GKLGNONTRKSOQV-UHFFFAOYSA-N -1 3 397.439 3.156 20 50 GGGDHM COc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000826209956 947612713 /nfs/dbraw/zinc/61/27/13/947612713.db2.gz XXMCUYFOHWIREP-UHFFFAOYSA-N -1 3 393.329 3.043 20 50 GGGDHM COc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000826209956 947612721 /nfs/dbraw/zinc/61/27/21/947612721.db2.gz XXMCUYFOHWIREP-UHFFFAOYSA-N -1 3 393.329 3.043 20 50 GGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000826378815 948172376 /nfs/dbraw/zinc/17/23/76/948172376.db2.gz AXRAIYQNBFUPDE-GHXNOFRVSA-N -1 3 385.305 3.397 20 50 GGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000826378815 948172379 /nfs/dbraw/zinc/17/23/79/948172379.db2.gz AXRAIYQNBFUPDE-GHXNOFRVSA-N -1 3 385.305 3.397 20 50 GGGDHM O=C(CCCc1ccsc1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826406750 948236570 /nfs/dbraw/zinc/23/65/70/948236570.db2.gz KXRNLMFPUWYWDE-UHFFFAOYSA-N -1 3 396.398 3.413 20 50 GGGDHM O=C(CCCc1ccsc1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826406750 948236580 /nfs/dbraw/zinc/23/65/80/948236580.db2.gz KXRNLMFPUWYWDE-UHFFFAOYSA-N -1 3 396.398 3.413 20 50 GGGDHM C[C@@H]1CCCC[C@@H]1CC(=O)NNc1cc(-c2nnn[n-]2)ccc1Br ZINC001576171426 949761772 /nfs/dbraw/zinc/76/17/72/949761772.db2.gz QDZZQFBBOZGWOZ-GHMZBOCLSA-N -1 3 393.289 3.289 20 50 GGGDHM C[C@@H]1CCCC[C@@H]1CC(=O)NNc1cc(-c2nn[n-]n2)ccc1Br ZINC001576171426 949761789 /nfs/dbraw/zinc/76/17/89/949761789.db2.gz QDZZQFBBOZGWOZ-GHMZBOCLSA-N -1 3 393.289 3.289 20 50 GGGDHM C[C@H]1CCCC[C@H]1CC(=O)NNc1cc(-c2nnn[n-]2)ccc1Br ZINC001576171428 949762924 /nfs/dbraw/zinc/76/29/24/949762924.db2.gz QDZZQFBBOZGWOZ-QWRGUYRKSA-N -1 3 393.289 3.289 20 50 GGGDHM C[C@H]1CCCC[C@H]1CC(=O)NNc1cc(-c2nn[n-]n2)ccc1Br ZINC001576171428 949762942 /nfs/dbraw/zinc/76/29/42/949762942.db2.gz QDZZQFBBOZGWOZ-QWRGUYRKSA-N -1 3 393.289 3.289 20 50 GGGDHM O=C([O-])c1cc(OC(=O)[C@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000740086842 978666427 /nfs/dbraw/zinc/66/64/27/978666427.db2.gz BMNKNNPOPOBYRK-HNNXBMFYSA-N -1 3 384.388 3.111 20 50 GGGDHM CCN(CC)[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccsc1 ZINC001596254210 983661754 /nfs/dbraw/zinc/66/17/54/983661754.db2.gz FBTHJBQCDYCZPB-MRXNPFEDSA-N -1 3 376.482 3.156 20 50 GGGDHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001590981051 991136959 /nfs/dbraw/zinc/13/69/59/991136959.db2.gz PNHKVNXBUMNAHJ-HXUWFJFHSA-N -1 3 398.507 3.096 20 50 GGGDHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001590981050 991137035 /nfs/dbraw/zinc/13/70/35/991137035.db2.gz PNHKVNXBUMNAHJ-FQEVSTJZSA-N -1 3 398.507 3.096 20 50 GGGDHM O=C(CCOc1ccc(Cl)cc1Cl)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826407981 607340910 /nfs/dbraw/zinc/34/09/10/607340910.db2.gz LBZZCPOKBVKMRZ-UHFFFAOYSA-N -1 3 393.234 3.086 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000826446189 607342048 /nfs/dbraw/zinc/34/20/48/607342048.db2.gz CQODDYANPCIFAX-GJZGRUSLSA-N -1 3 389.246 3.420 20 50 GGGDHM Cc1ccc(C(=O)c2ccccc2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826282256 607344304 /nfs/dbraw/zinc/34/43/04/607344304.db2.gz GCXRAYPNSFTHAM-UHFFFAOYSA-N -1 3 398.426 3.163 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(c2cccc(F)c2)CCCCC1 ZINC000826446720 607346326 /nfs/dbraw/zinc/34/63/26/607346326.db2.gz VTCMQYHJPLADPV-UHFFFAOYSA-N -1 3 380.427 3.351 20 50 GGGDHM CCCOc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OCCC ZINC000825339124 607346873 /nfs/dbraw/zinc/34/68/73/607346873.db2.gz NYFIJGRRQDEWBC-UHFFFAOYSA-N -1 3 396.451 3.201 20 50 GGGDHM O=C(Cc1coc2ccc3ccccc3c12)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423955 607349402 /nfs/dbraw/zinc/34/94/02/607349402.db2.gz PLPMMPAUSNHTGF-UHFFFAOYSA-N -1 3 384.399 3.452 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000826446164 607351891 /nfs/dbraw/zinc/35/18/91/607351891.db2.gz BXZDGMVVFLWJPA-LJQANCHMSA-N -1 3 386.415 3.130 20 50 GGGDHM O=C(CSc1ccc2ccccc2c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826420804 607355339 /nfs/dbraw/zinc/35/53/39/607355339.db2.gz DAPVCQHNTQSQFX-UHFFFAOYSA-N -1 3 376.445 3.255 20 50 GGGDHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824738794 607354600 /nfs/dbraw/zinc/35/46/00/607354600.db2.gz RKZPXZNPHVQLGO-VIFPVBQESA-N -1 3 393.234 3.084 20 50 GGGDHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824737181 607354761 /nfs/dbraw/zinc/35/47/61/607354761.db2.gz CPWYEDMLPWJGMZ-CYBMUJFWSA-N -1 3 380.452 3.075 20 50 GGGDHM Cc1cc(NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1Br ZINC000826271093 607394693 /nfs/dbraw/zinc/39/46/93/607394693.db2.gz BXAQMAMHLOOUPO-UHFFFAOYSA-N -1 3 387.241 3.003 20 50 GGGDHM Cc1cc(NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1Br ZINC000826271093 607394695 /nfs/dbraw/zinc/39/46/95/607394695.db2.gz BXAQMAMHLOOUPO-UHFFFAOYSA-N -1 3 387.241 3.003 20 50 GGGDHM Cc1cc(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1Br ZINC000826271255 607394730 /nfs/dbraw/zinc/39/47/30/607394730.db2.gz JZHZXYXGJLBZDN-TWGQIWQCSA-N -1 3 399.252 3.094 20 50 GGGDHM Cc1cc(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1Br ZINC000826271255 607394731 /nfs/dbraw/zinc/39/47/31/607394731.db2.gz JZHZXYXGJLBZDN-TWGQIWQCSA-N -1 3 399.252 3.094 20 50 GGGDHM Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826256255 607396233 /nfs/dbraw/zinc/39/62/33/607396233.db2.gz ADQWMJDFJSJXBW-UHFFFAOYSA-N -1 3 387.241 3.003 20 50 GGGDHM Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826256255 607396235 /nfs/dbraw/zinc/39/62/35/607396235.db2.gz ADQWMJDFJSJXBW-UHFFFAOYSA-N -1 3 387.241 3.003 20 50 GGGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccc(Cl)cc1Cl ZINC000824737440 607711041 /nfs/dbraw/zinc/71/10/41/607711041.db2.gz HBRPSJDMJNGERR-VIFPVBQESA-N -1 3 393.234 3.084 20 50 GGGDHM O=C(COc1ccccc1-c1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826418849 607712641 /nfs/dbraw/zinc/71/26/41/607712641.db2.gz YTHROIRIQUWHQU-UHFFFAOYSA-N -1 3 386.415 3.056 20 50 GGGDHM O=C(COc1ccccc1-c1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826418849 607712644 /nfs/dbraw/zinc/71/26/44/607712644.db2.gz YTHROIRIQUWHQU-UHFFFAOYSA-N -1 3 386.415 3.056 20 50 GGGDHM CC(C)(C)c1ccc(SCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824136639 607713159 /nfs/dbraw/zinc/71/31/59/607713159.db2.gz SPGRJPCNIXTLCJ-UHFFFAOYSA-N -1 3 382.493 3.400 20 50 GGGDHM CC(C)(C)c1ccc(SCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824136639 607713161 /nfs/dbraw/zinc/71/31/61/607713161.db2.gz SPGRJPCNIXTLCJ-UHFFFAOYSA-N -1 3 382.493 3.400 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccnc1Sc1ccccc1 ZINC000826448731 607727364 /nfs/dbraw/zinc/72/73/64/607727364.db2.gz IQVUBQIYLLLAQN-UHFFFAOYSA-N -1 3 389.444 3.170 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccnc1Sc1ccccc1 ZINC000826448731 607727366 /nfs/dbraw/zinc/72/73/66/607727366.db2.gz IQVUBQIYLLLAQN-UHFFFAOYSA-N -1 3 389.444 3.170 20 50 GGGDHM COCc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)sc2cccc(F)c21 ZINC000826164386 607727618 /nfs/dbraw/zinc/72/76/18/607727618.db2.gz WIHHDLLZWRCZBP-UHFFFAOYSA-N -1 3 398.423 3.124 20 50 GGGDHM COCc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)sc2cccc(F)c21 ZINC000826164386 607727620 /nfs/dbraw/zinc/72/76/20/607727620.db2.gz WIHHDLLZWRCZBP-UHFFFAOYSA-N -1 3 398.423 3.124 20 50 GGGDHM Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826262879 607915857 /nfs/dbraw/zinc/91/58/57/607915857.db2.gz BNOYYRMOOYUMKX-OVCLIPMQSA-N -1 3 376.395 3.477 20 50 GGGDHM Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826262879 607915858 /nfs/dbraw/zinc/91/58/58/607915858.db2.gz BNOYYRMOOYUMKX-OVCLIPMQSA-N -1 3 376.395 3.477 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1NCc1ccccc1 ZINC000826446847 608200444 /nfs/dbraw/zinc/20/04/44/608200444.db2.gz BBPIKOCJVJYEKI-UHFFFAOYSA-N -1 3 385.431 3.236 20 50 GGGDHM COc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1OC(F)F ZINC000826215795 608214794 /nfs/dbraw/zinc/21/47/94/608214794.db2.gz YZMRWDAXUSPRIJ-ZROIWOOFSA-N -1 3 397.341 3.267 20 50 GGGDHM COc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1OC(F)F ZINC000826215795 608214796 /nfs/dbraw/zinc/21/47/96/608214796.db2.gz YZMRWDAXUSPRIJ-ZROIWOOFSA-N -1 3 397.341 3.267 20 50 GGGDHM CCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000825338906 608216108 /nfs/dbraw/zinc/21/61/08/608216108.db2.gz JSKIXLJEJUQEMV-LICLKQGHSA-N -1 3 389.415 3.454 20 50 GGGDHM CCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000825338906 608216109 /nfs/dbraw/zinc/21/61/09/608216109.db2.gz JSKIXLJEJUQEMV-LICLKQGHSA-N -1 3 389.415 3.454 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000826191011 608216733 /nfs/dbraw/zinc/21/67/33/608216733.db2.gz UIUVIRZVOMLXCC-VGOFMYFVSA-N -1 3 397.341 3.267 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000826191011 608216734 /nfs/dbraw/zinc/21/67/34/608216734.db2.gz UIUVIRZVOMLXCC-VGOFMYFVSA-N -1 3 397.341 3.267 20 50 GGGDHM C[C@@H]1CCC[C@H](OCCCCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824925194 608380384 /nfs/dbraw/zinc/38/03/84/608380384.db2.gz BMODPRMAKYXXAV-QAPCUYQASA-N -1 3 386.500 3.466 20 50 GGGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1c(Cl)cc(F)cc1Cl ZINC000826402426 608452049 /nfs/dbraw/zinc/45/20/49/608452049.db2.gz UIXPONIRILVPAB-AATRIKPKSA-N -1 3 393.209 3.469 20 50 GGGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1c(Cl)cc(F)cc1Cl ZINC000826402426 608452051 /nfs/dbraw/zinc/45/20/51/608452051.db2.gz UIXPONIRILVPAB-AATRIKPKSA-N -1 3 393.209 3.469 20 50 GGGDHM CC1CCN(c2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000824961118 608802899 /nfs/dbraw/zinc/80/28/99/608802899.db2.gz BDDPXDIISWBTKW-UHFFFAOYSA-N -1 3 392.467 3.252 20 50 GGGDHM CC1CCN(c2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000824961118 608802900 /nfs/dbraw/zinc/80/29/00/608802900.db2.gz BDDPXDIISWBTKW-UHFFFAOYSA-N -1 3 392.467 3.252 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C2SCCS2)c1 ZINC000826448144 608805088 /nfs/dbraw/zinc/80/50/88/608805088.db2.gz JTYOJKOEAHYHCR-UHFFFAOYSA-N -1 3 399.505 3.494 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(C2SCCS2)c1 ZINC000826448144 608805090 /nfs/dbraw/zinc/80/50/90/608805090.db2.gz JTYOJKOEAHYHCR-UHFFFAOYSA-N -1 3 399.505 3.494 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(OC2CCCC2)c1 ZINC000826448511 608805778 /nfs/dbraw/zinc/80/57/78/608805778.db2.gz YHYWANUQNGTBAV-UHFFFAOYSA-N -1 3 379.424 3.337 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(OC2CCCC2)c1 ZINC000826448511 608805780 /nfs/dbraw/zinc/80/57/80/608805780.db2.gz YHYWANUQNGTBAV-UHFFFAOYSA-N -1 3 379.424 3.337 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000826448208 608815982 /nfs/dbraw/zinc/81/59/82/608815982.db2.gz LZMYYTSUELCRCG-UHFFFAOYSA-N -1 3 383.387 3.086 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000826448208 608815983 /nfs/dbraw/zinc/81/59/83/608815983.db2.gz LZMYYTSUELCRCG-UHFFFAOYSA-N -1 3 383.387 3.086 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826190426 609153356 /nfs/dbraw/zinc/15/33/56/609153356.db2.gz AUVZYYLOVIRAMK-ZSOIEALJSA-N -1 3 395.806 3.179 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826190426 609153358 /nfs/dbraw/zinc/15/33/58/609153358.db2.gz AUVZYYLOVIRAMK-ZSOIEALJSA-N -1 3 395.806 3.179 20 50 GGGDHM O=C(NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000738129631 945203239 /nfs/dbraw/zinc/20/32/39/945203239.db2.gz FUPVGGSWDIJFGK-UHFFFAOYSA-N -1 3 390.447 3.086 20 50 GGGDHM O=C(NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000738129631 945203247 /nfs/dbraw/zinc/20/32/47/945203247.db2.gz FUPVGGSWDIJFGK-UHFFFAOYSA-N -1 3 390.447 3.086 20 50 GGGDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NN=c1[nH]c2ccccc2s1 ZINC000735661593 944687346 /nfs/dbraw/zinc/68/73/46/944687346.db2.gz OANKVGHWRMTZBP-UHFFFAOYSA-N -1 3 397.468 3.182 20 50 GGGDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NN=c1[nH]c2ccccc2s1 ZINC000735661593 944687352 /nfs/dbraw/zinc/68/73/52/944687352.db2.gz OANKVGHWRMTZBP-UHFFFAOYSA-N -1 3 397.468 3.182 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccccc2Cl)cc(-c2nnn[n-]2)n1C ZINC000822027158 945928665 /nfs/dbraw/zinc/92/86/65/945928665.db2.gz DUDKHPMSAICTCI-QENILXLESA-N -1 3 396.838 3.378 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccccc2Cl)cc(-c2nn[n-]n2)n1C ZINC000822027158 945928674 /nfs/dbraw/zinc/92/86/74/945928674.db2.gz DUDKHPMSAICTCI-QENILXLESA-N -1 3 396.838 3.378 20 50 GGGDHM Cc1ccc([C@H](C)C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000822227393 946007675 /nfs/dbraw/zinc/00/76/75/946007675.db2.gz GZMKQOHRCSBVQR-VIFPVBQESA-N -1 3 380.330 3.034 20 50 GGGDHM Cc1ccc([C@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000822227393 946007681 /nfs/dbraw/zinc/00/76/81/946007681.db2.gz GZMKQOHRCSBVQR-VIFPVBQESA-N -1 3 380.330 3.034 20 50 GGGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000822795488 946175437 /nfs/dbraw/zinc/17/54/37/946175437.db2.gz BOYVTHLIFAWNEY-RUDMXATFSA-N -1 3 390.350 3.493 20 50 GGGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000822795488 946175441 /nfs/dbraw/zinc/17/54/41/946175441.db2.gz BOYVTHLIFAWNEY-RUDMXATFSA-N -1 3 390.350 3.493 20 50 GGGDHM N#CC=C(c1ccc(F)cc1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822806122 946192991 /nfs/dbraw/zinc/19/29/91/946192991.db2.gz IZESLKVZJSIAAV-ZBKNUEDVSA-N -1 3 390.422 3.414 20 50 GGGDHM N#CC=C(c1ccc(F)cc1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822806122 946192996 /nfs/dbraw/zinc/19/29/96/946192996.db2.gz IZESLKVZJSIAAV-ZBKNUEDVSA-N -1 3 390.422 3.414 20 50 GGGDHM C=C[C@@H](C(=O)NNc1cc(-c2nnn[n-]2)ccc1Br)c1ccccc1 ZINC001573299443 947094092 /nfs/dbraw/zinc/09/40/92/947094092.db2.gz FDUJIFGXMKXRIP-CYBMUJFWSA-N -1 3 399.252 3.042 20 50 GGGDHM C=C[C@@H](C(=O)NNc1cc(-c2nn[n-]n2)ccc1Br)c1ccccc1 ZINC001573299443 947094101 /nfs/dbraw/zinc/09/41/01/947094101.db2.gz FDUJIFGXMKXRIP-CYBMUJFWSA-N -1 3 399.252 3.042 20 50 GGGDHM C=CCCC[C@@H](C)NC(=O)NNc1cc(-c2nnn[n-]2)ccc1Br ZINC001573334967 947467653 /nfs/dbraw/zinc/46/76/53/947467653.db2.gz KHACUEGXUNXBHW-SNVBAGLBSA-N -1 3 394.277 3.000 20 50 GGGDHM C=CCCC[C@@H](C)NC(=O)NNc1cc(-c2nn[n-]n2)ccc1Br ZINC001573334967 947467659 /nfs/dbraw/zinc/46/76/59/947467659.db2.gz KHACUEGXUNXBHW-SNVBAGLBSA-N -1 3 394.277 3.000 20 50 GGGDHM CC1=C(C)C[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC001575860521 949302964 /nfs/dbraw/zinc/30/29/64/949302964.db2.gz JPHRMZAORHUDGU-NSHDSACASA-N -1 3 380.374 3.465 20 50 GGGDHM CC1=C(C)C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC001575860521 949302985 /nfs/dbraw/zinc/30/29/85/949302985.db2.gz JPHRMZAORHUDGU-NSHDSACASA-N -1 3 380.374 3.465 20 50 GGGDHM C[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001576155090 949379009 /nfs/dbraw/zinc/37/90/09/949379009.db2.gz SRMDLBBMJAXYLT-MWLCHTKSSA-N -1 3 383.378 3.090 20 50 GGGDHM C[C@@H]1CCCC[C@H]1CC(=O)NNc1cc(-c2nnn[n-]2)ccc1Br ZINC001576171427 949763610 /nfs/dbraw/zinc/76/36/10/949763610.db2.gz QDZZQFBBOZGWOZ-MNOVXSKESA-N -1 3 393.289 3.289 20 50 GGGDHM C[C@@H]1CCCC[C@H]1CC(=O)NNc1cc(-c2nn[n-]n2)ccc1Br ZINC001576171427 949763628 /nfs/dbraw/zinc/76/36/28/949763628.db2.gz QDZZQFBBOZGWOZ-MNOVXSKESA-N -1 3 393.289 3.289 20 50 GGGDHM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC001576178024 949875031 /nfs/dbraw/zinc/87/50/31/949875031.db2.gz FTALKNREQMHPAL-FZKQIMNGSA-N -1 3 377.452 3.207 20 50 GGGDHM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC001576178024 949875053 /nfs/dbraw/zinc/87/50/53/949875053.db2.gz FTALKNREQMHPAL-FZKQIMNGSA-N -1 3 377.452 3.207 20 50 GGGDHM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC001576178026 949877369 /nfs/dbraw/zinc/87/73/69/949877369.db2.gz FTALKNREQMHPAL-SCLBCKFNSA-N -1 3 377.452 3.207 20 50 GGGDHM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC001576178026 949877396 /nfs/dbraw/zinc/87/73/96/949877396.db2.gz FTALKNREQMHPAL-SCLBCKFNSA-N -1 3 377.452 3.207 20 50 GGGDHM CC(C)c1ccc(C[C@H](C)NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001575190526 952462531 /nfs/dbraw/zinc/46/25/31/952462531.db2.gz TWBSXJRLQLIMAX-AWEZNQCLSA-N -1 3 379.468 3.247 20 50 GGGDHM CC(C)c1ccc(C[C@H](C)NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001575190526 952462540 /nfs/dbraw/zinc/46/25/40/952462540.db2.gz TWBSXJRLQLIMAX-AWEZNQCLSA-N -1 3 379.468 3.247 20 50 GGGDHM CN1CCN(Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)C[C@@H](C(=O)[O-])C1 ZINC001598621419 994012199 /nfs/dbraw/zinc/01/21/99/994012199.db2.gz QJQQCRDEMINSDH-AWEZNQCLSA-N -1 3 399.633 3.113 20 50 GGGDHM Cc1ccc2nc(C3CC3)cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826295494 607337752 /nfs/dbraw/zinc/33/77/52/607337752.db2.gz JNPSGAVXCANNIV-UHFFFAOYSA-N -1 3 385.431 3.358 20 50 GGGDHM Cc1ccc2nc(C3CC3)cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826295494 607337754 /nfs/dbraw/zinc/33/77/54/607337754.db2.gz JNPSGAVXCANNIV-UHFFFAOYSA-N -1 3 385.431 3.358 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000826446986 607339432 /nfs/dbraw/zinc/33/94/32/607339432.db2.gz IKJTZZKTNLISGE-UHFFFAOYSA-N -1 3 386.415 3.203 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000826447041 607341352 /nfs/dbraw/zinc/34/13/52/607341352.db2.gz KTIGZHGMABTQHL-UHFFFAOYSA-N -1 3 380.411 3.023 20 50 GGGDHM CN(c1ccccc1)c1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826010951 607343159 /nfs/dbraw/zinc/34/31/59/607343159.db2.gz RGTHDRKBCSNKHQ-UHFFFAOYSA-N -1 3 385.431 3.392 20 50 GGGDHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826282955 607344196 /nfs/dbraw/zinc/34/41/96/607344196.db2.gz HADQTFDHQDJPGE-AWEZNQCLSA-N -1 3 380.452 3.209 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000826446383 607349459 /nfs/dbraw/zinc/34/94/59/607349459.db2.gz JPGLSINLFZGSJP-OLZOCXBDSA-N -1 3 389.246 3.420 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000826446384 607349499 /nfs/dbraw/zinc/34/94/99/607349499.db2.gz JPGLSINLFZGSJP-QWHCGFSZSA-N -1 3 389.246 3.420 20 50 GGGDHM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824739509 607350996 /nfs/dbraw/zinc/35/09/96/607350996.db2.gz YAXKUMBTTPVCEF-CYBMUJFWSA-N -1 3 380.452 3.075 20 50 GGGDHM Cc1cc(OCCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826272045 607352743 /nfs/dbraw/zinc/35/27/43/607352743.db2.gz RSUBRZKZJLDIFB-UHFFFAOYSA-N -1 3 386.843 3.131 20 50 GGGDHM O=C(C=Cc1ccccc1F)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826403362 607394767 /nfs/dbraw/zinc/39/47/67/607394767.db2.gz QAWHRZYTLNDMFZ-VMPITWQZSA-N -1 3 392.316 3.181 20 50 GGGDHM O=C(C=Cc1ccccc1F)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826403362 607394769 /nfs/dbraw/zinc/39/47/69/607394769.db2.gz QAWHRZYTLNDMFZ-VMPITWQZSA-N -1 3 392.316 3.181 20 50 GGGDHM O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000826447236 607463858 /nfs/dbraw/zinc/46/38/58/607463858.db2.gz VSNAZOOKGARNKE-UHFFFAOYSA-N -1 3 388.387 3.122 20 50 GGGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NNc1ccc(Cl)cc1Cl ZINC000826420290 607712659 /nfs/dbraw/zinc/71/26/59/607712659.db2.gz GVUCXTXQLHTTLE-UHFFFAOYSA-N -1 3 395.275 3.409 20 50 GGGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNc1ccc(Cl)cc1Cl ZINC000826420290 607712660 /nfs/dbraw/zinc/71/26/60/607712660.db2.gz GVUCXTXQLHTTLE-UHFFFAOYSA-N -1 3 395.275 3.409 20 50 GGGDHM COc1ccc(CCCCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191988 607713353 /nfs/dbraw/zinc/71/33/53/607713353.db2.gz WOSVOPQYUDQMEC-UHFFFAOYSA-N -1 3 380.452 3.122 20 50 GGGDHM COc1ccc(CCCCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191988 607713355 /nfs/dbraw/zinc/71/33/55/607713355.db2.gz WOSVOPQYUDQMEC-UHFFFAOYSA-N -1 3 380.452 3.122 20 50 GGGDHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824458245 607714477 /nfs/dbraw/zinc/71/44/77/607714477.db2.gz UOYUPHPXMBWHHT-SNVBAGLBSA-N -1 3 391.262 3.495 20 50 GGGDHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824458245 607714479 /nfs/dbraw/zinc/71/44/79/607714479.db2.gz UOYUPHPXMBWHHT-SNVBAGLBSA-N -1 3 391.262 3.495 20 50 GGGDHM CC(C)[C@@H](SCc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824206869 607714833 /nfs/dbraw/zinc/71/48/33/607714833.db2.gz KSQHXOHTOSGHHZ-QGZVFWFLSA-N -1 3 382.493 3.268 20 50 GGGDHM CC(C)[C@@H](SCc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824206869 607714835 /nfs/dbraw/zinc/71/48/35/607714835.db2.gz KSQHXOHTOSGHHZ-QGZVFWFLSA-N -1 3 382.493 3.268 20 50 GGGDHM Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1Oc1ccncc1 ZINC000826281711 607715220 /nfs/dbraw/zinc/71/52/20/607715220.db2.gz GTFBWFXTRVDRMZ-UHFFFAOYSA-N -1 3 387.403 3.119 20 50 GGGDHM Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1Oc1ccncc1 ZINC000826281711 607715222 /nfs/dbraw/zinc/71/52/22/607715222.db2.gz GTFBWFXTRVDRMZ-UHFFFAOYSA-N -1 3 387.403 3.119 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1csc(-c2c(F)cccc2F)n1 ZINC000826449136 607718258 /nfs/dbraw/zinc/71/82/58/607718258.db2.gz CXNRCPWWHRKVFM-UHFFFAOYSA-N -1 3 399.386 3.025 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1csc(-c2c(F)cccc2F)n1 ZINC000826449136 607718260 /nfs/dbraw/zinc/71/82/60/607718260.db2.gz CXNRCPWWHRKVFM-UHFFFAOYSA-N -1 3 399.386 3.025 20 50 GGGDHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826283171 607718997 /nfs/dbraw/zinc/71/89/97/607718997.db2.gz MCBLUEWZVOXSCL-CQSZACIVSA-N -1 3 380.452 3.209 20 50 GGGDHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826283171 607718999 /nfs/dbraw/zinc/71/89/99/607718999.db2.gz MCBLUEWZVOXSCL-CQSZACIVSA-N -1 3 380.452 3.209 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Br ZINC000826448759 607723551 /nfs/dbraw/zinc/72/35/51/607723551.db2.gz KDOJFALPPDJWTK-UHFFFAOYSA-N -1 3 393.632 3.040 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1Br ZINC000826448759 607723552 /nfs/dbraw/zinc/72/35/52/607723552.db2.gz KDOJFALPPDJWTK-UHFFFAOYSA-N -1 3 393.632 3.040 20 50 GGGDHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824457086 607723945 /nfs/dbraw/zinc/72/39/45/607723945.db2.gz DVWRYHSRLKEFBC-NSHDSACASA-N -1 3 390.369 3.207 20 50 GGGDHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824457086 607723947 /nfs/dbraw/zinc/72/39/47/607723947.db2.gz DVWRYHSRLKEFBC-NSHDSACASA-N -1 3 390.369 3.207 20 50 GGGDHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825074684 607733319 /nfs/dbraw/zinc/73/33/19/607733319.db2.gz JTOYVZYZLIRXTI-XMXAVACDSA-N -1 3 378.436 3.201 20 50 GGGDHM CC[C@@H](C)Oc1ccccc1C=CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825074684 607733320 /nfs/dbraw/zinc/73/33/20/607733320.db2.gz JTOYVZYZLIRXTI-XMXAVACDSA-N -1 3 378.436 3.201 20 50 GGGDHM CC[C@@H](C)C=NNC(=O)COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825059616 607882479 /nfs/dbraw/zinc/88/24/79/607882479.db2.gz HTBXHQSDSVQMIO-CQSZACIVSA-N -1 3 378.436 3.061 20 50 GGGDHM CC[C@@H](C)C=NNC(=O)COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825059616 607882480 /nfs/dbraw/zinc/88/24/80/607882480.db2.gz HTBXHQSDSVQMIO-CQSZACIVSA-N -1 3 378.436 3.061 20 50 GGGDHM CC[C@H](C)C=NNC(=O)COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825059615 607882647 /nfs/dbraw/zinc/88/26/47/607882647.db2.gz HTBXHQSDSVQMIO-AWEZNQCLSA-N -1 3 378.436 3.061 20 50 GGGDHM CC[C@H](C)C=NNC(=O)COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825059615 607882648 /nfs/dbraw/zinc/88/26/48/607882648.db2.gz HTBXHQSDSVQMIO-AWEZNQCLSA-N -1 3 378.436 3.061 20 50 GGGDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000826179794 607883255 /nfs/dbraw/zinc/88/32/55/607883255.db2.gz DRZAUSXKEUTUGA-JYRVWZFOSA-N -1 3 394.822 3.383 20 50 GGGDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000826179794 607883256 /nfs/dbraw/zinc/88/32/56/607883256.db2.gz DRZAUSXKEUTUGA-JYRVWZFOSA-N -1 3 394.822 3.383 20 50 GGGDHM CC(=NNC(=O)Cc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823948812 608094364 /nfs/dbraw/zinc/09/43/64/608094364.db2.gz ZECGARKUOQBLPP-UHFFFAOYSA-N -1 3 376.445 3.164 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825638415 608182512 /nfs/dbraw/zinc/18/25/12/608182512.db2.gz KXXYQCPSOSXWFJ-XWAFYUISSA-N -1 3 389.415 3.477 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825638415 608182513 /nfs/dbraw/zinc/18/25/13/608182513.db2.gz KXXYQCPSOSXWFJ-XWAFYUISSA-N -1 3 389.415 3.477 20 50 GGGDHM N#CC(=Cc1cnc(-c2ccccc2)nc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379559 608217654 /nfs/dbraw/zinc/21/76/54/608217654.db2.gz VOHZRZHZOAEUFH-NVMNQCDNSA-N -1 3 379.383 3.114 20 50 GGGDHM N#CC(=Cc1cnc(-c2ccccc2)nc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379559 608217656 /nfs/dbraw/zinc/21/76/56/608217656.db2.gz VOHZRZHZOAEUFH-NVMNQCDNSA-N -1 3 379.383 3.114 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826191066 608288017 /nfs/dbraw/zinc/28/80/17/608288017.db2.gz WEATWYUQBCRUGY-SDQBBNPISA-N -1 3 383.770 3.458 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826191066 608288018 /nfs/dbraw/zinc/28/80/18/608288018.db2.gz WEATWYUQBCRUGY-SDQBBNPISA-N -1 3 383.770 3.458 20 50 GGGDHM N#C/C(=C\c1c(C2CC2)nc2sccn12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379213 608386713 /nfs/dbraw/zinc/38/67/13/608386713.db2.gz MBORZXIQPJZRDZ-NTEUORMPSA-N -1 3 387.428 3.243 20 50 GGGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)cc1Br ZINC000826259916 608546484 /nfs/dbraw/zinc/54/64/84/608546484.db2.gz MHHQBRAUFNRKQB-UHFFFAOYSA-N -1 3 387.241 3.003 20 50 GGGDHM CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cc1CC ZINC000825712372 608564441 /nfs/dbraw/zinc/56/44/41/608564441.db2.gz PJXSMZNLWCYUDA-RQZCQDPDSA-N -1 3 389.463 3.184 20 50 GGGDHM CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cc1CC ZINC000825712372 608564443 /nfs/dbraw/zinc/56/44/43/608564443.db2.gz PJXSMZNLWCYUDA-RQZCQDPDSA-N -1 3 389.463 3.184 20 50 GGGDHM CC(C)Oc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000824329757 608802942 /nfs/dbraw/zinc/80/29/42/608802942.db2.gz URQWUEQNPQSOIJ-UHFFFAOYSA-N -1 3 387.831 3.456 20 50 GGGDHM CC(C)Oc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000824329757 608802943 /nfs/dbraw/zinc/80/29/43/608802943.db2.gz URQWUEQNPQSOIJ-UHFFFAOYSA-N -1 3 387.831 3.456 20 50 GGGDHM Cc1cc(Br)ccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826256422 608804263 /nfs/dbraw/zinc/80/42/63/608804263.db2.gz IWTAFFHHNBQZCV-UHFFFAOYSA-N -1 3 388.229 3.086 20 50 GGGDHM Cc1cc(Br)ccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826256422 608804265 /nfs/dbraw/zinc/80/42/65/608804265.db2.gz IWTAFFHHNBQZCV-UHFFFAOYSA-N -1 3 388.229 3.086 20 50 GGGDHM O=C(NN=c1[nH]c2ccccc2s1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826449802 608805356 /nfs/dbraw/zinc/80/53/56/608805356.db2.gz KIKTVWKLMGXWKG-UHFFFAOYSA-N -1 3 386.828 3.278 20 50 GGGDHM O=C(NN=c1[nH]c2ccccc2s1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826449802 608805359 /nfs/dbraw/zinc/80/53/59/608805359.db2.gz KIKTVWKLMGXWKG-UHFFFAOYSA-N -1 3 386.828 3.278 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccnc1Oc1ccccc1 ZINC000826448038 608807373 /nfs/dbraw/zinc/80/73/73/608807373.db2.gz FRXAOHHSOBIABW-UHFFFAOYSA-N -1 3 388.391 3.203 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccnc1Oc1ccccc1 ZINC000826448038 608807376 /nfs/dbraw/zinc/80/73/76/608807376.db2.gz FRXAOHHSOBIABW-UHFFFAOYSA-N -1 3 388.391 3.203 20 50 GGGDHM O=C(NNc1ccccc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826449435 608807522 /nfs/dbraw/zinc/80/75/22/608807522.db2.gz SLAPJMQEAMYIPP-UHFFFAOYSA-N -1 3 388.391 3.203 20 50 GGGDHM O=C(NNc1ccccc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826449435 608807524 /nfs/dbraw/zinc/80/75/24/608807524.db2.gz SLAPJMQEAMYIPP-UHFFFAOYSA-N -1 3 388.391 3.203 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Oc2ccncc2)c1 ZINC000826448003 608812336 /nfs/dbraw/zinc/81/23/36/608812336.db2.gz DPFAGUDBNUROSU-UHFFFAOYSA-N -1 3 388.391 3.203 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Oc2ccncc2)c1 ZINC000826448003 608812339 /nfs/dbraw/zinc/81/23/39/608812339.db2.gz DPFAGUDBNUROSU-UHFFFAOYSA-N -1 3 388.391 3.203 20 50 GGGDHM CC1CCN(c2cccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000824962285 608812795 /nfs/dbraw/zinc/81/27/95/608812795.db2.gz RVMVYRXFNOVKKX-UHFFFAOYSA-N -1 3 392.467 3.252 20 50 GGGDHM CC1CCN(c2cccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000824962285 608812796 /nfs/dbraw/zinc/81/27/96/608812796.db2.gz RVMVYRXFNOVKKX-UHFFFAOYSA-N -1 3 392.467 3.252 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000826447930 608812955 /nfs/dbraw/zinc/81/29/55/608812955.db2.gz BHEXVQZLVYCZRZ-UHFFFAOYSA-N -1 3 398.858 3.269 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000826447930 608812957 /nfs/dbraw/zinc/81/29/57/608812957.db2.gz BHEXVQZLVYCZRZ-UHFFFAOYSA-N -1 3 398.858 3.269 20 50 GGGDHM CC(C)(C)c1csc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000824135530 608875926 /nfs/dbraw/zinc/87/59/26/608875926.db2.gz GCAOBUYHIHLMCI-WDZFZDKYSA-N -1 3 397.439 3.305 20 50 GGGDHM CC(C)(C)c1csc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000824135530 608875928 /nfs/dbraw/zinc/87/59/28/608875928.db2.gz GCAOBUYHIHLMCI-WDZFZDKYSA-N -1 3 397.439 3.305 20 50 GGGDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1ccc(C(C)(C)C)cc1 ZINC000826186103 609156954 /nfs/dbraw/zinc/15/69/54/609156954.db2.gz FHBOQZKTAYXSCF-UHFFFAOYSA-N -1 3 381.440 3.321 20 50 GGGDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1ccc(C(C)(C)C)cc1 ZINC000826186103 609156955 /nfs/dbraw/zinc/15/69/55/609156955.db2.gz FHBOQZKTAYXSCF-UHFFFAOYSA-N -1 3 381.440 3.321 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1Cl ZINC000826448850 609165468 /nfs/dbraw/zinc/16/54/68/609165468.db2.gz OMLOLTPFLCLDTO-UHFFFAOYSA-N -1 3 393.632 3.040 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1Cl ZINC000826448850 609165469 /nfs/dbraw/zinc/16/54/69/609165469.db2.gz OMLOLTPFLCLDTO-UHFFFAOYSA-N -1 3 393.632 3.040 20 50 GGGDHM CC(C)CN(CCCI)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824255588 1446816148 /nfs/dbraw/zinc/81/61/48/1446816148.db2.gz OYNYVGNYRYJBSA-UHFFFAOYSA-N -1 3 399.280 3.150 20 50 GGGDHM O=C(NN=Cc1sc2ccccc2c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000738131040 945212709 /nfs/dbraw/zinc/21/27/09/945212709.db2.gz ZTGFCADXWOYRBH-UHFFFAOYSA-N -1 3 382.836 3.499 20 50 GGGDHM O=C(NN=Cc1sc2ccccc2c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000738131040 945212725 /nfs/dbraw/zinc/21/27/25/945212725.db2.gz ZTGFCADXWOYRBH-UHFFFAOYSA-N -1 3 382.836 3.499 20 50 GGGDHM O=C(NNc1ccccc1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000738136260 945231563 /nfs/dbraw/zinc/23/15/63/945231563.db2.gz CWMMIFMJYNPOQE-UHFFFAOYSA-N -1 3 386.415 3.203 20 50 GGGDHM O=C(NNc1ccccc1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000738136260 945231573 /nfs/dbraw/zinc/23/15/73/945231573.db2.gz CWMMIFMJYNPOQE-UHFFFAOYSA-N -1 3 386.415 3.203 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1ccc(F)cc1F ZINC000738137856 945248015 /nfs/dbraw/zinc/24/80/15/945248015.db2.gz SXSDPWJZPSOIEK-UHFFFAOYSA-N -1 3 399.283 3.312 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1ccc(F)cc1F ZINC000738137856 945248020 /nfs/dbraw/zinc/24/80/20/945248020.db2.gz SXSDPWJZPSOIEK-UHFFFAOYSA-N -1 3 399.283 3.312 20 50 GGGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000819773967 945290090 /nfs/dbraw/zinc/29/00/90/945290090.db2.gz YVAZVPBXXPJKDA-UHFFFAOYSA-N -1 3 383.415 3.083 20 50 GGGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000819773967 945290096 /nfs/dbraw/zinc/29/00/96/945290096.db2.gz YVAZVPBXXPJKDA-UHFFFAOYSA-N -1 3 383.415 3.083 20 50 GGGDHM CCOC(=O)C(C#N)=CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736583610 944849641 /nfs/dbraw/zinc/84/96/41/944849641.db2.gz DTKMAHJVDVCPMX-WYMLVPIESA-N -1 3 376.376 3.041 20 50 GGGDHM CCOC(=O)C(C#N)=CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736583610 944849648 /nfs/dbraw/zinc/84/96/48/944849648.db2.gz DTKMAHJVDVCPMX-WYMLVPIESA-N -1 3 376.376 3.041 20 50 GGGDHM CCOC(=O)C(C#N)=CNc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736587171 944849676 /nfs/dbraw/zinc/84/96/76/944849676.db2.gz STTYRXPCIWRMHZ-OWBHPGMISA-N -1 3 376.376 3.041 20 50 GGGDHM CCOC(=O)C(C#N)=CNc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736587171 944849680 /nfs/dbraw/zinc/84/96/80/944849680.db2.gz STTYRXPCIWRMHZ-OWBHPGMISA-N -1 3 376.376 3.041 20 50 GGGDHM COc1ccc(C=C(C#N)c2nc(-c3ccncc3)cs2)cc1-c1nnn[n-]1 ZINC000737075684 944945900 /nfs/dbraw/zinc/94/59/00/944945900.db2.gz LKEDJEGGZVTILK-ZSOIEALJSA-N -1 3 387.428 3.458 20 50 GGGDHM COc1ccc(C=C(C#N)c2nc(-c3ccncc3)cs2)cc1-c1nn[n-]n1 ZINC000737075684 944945907 /nfs/dbraw/zinc/94/59/07/944945907.db2.gz LKEDJEGGZVTILK-ZSOIEALJSA-N -1 3 387.428 3.458 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737075545 944946937 /nfs/dbraw/zinc/94/69/37/944946937.db2.gz LBUIFINCSBXWJK-XYOKQWHBSA-N -1 3 380.795 3.074 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737075545 944946942 /nfs/dbraw/zinc/94/69/42/944946942.db2.gz LBUIFINCSBXWJK-XYOKQWHBSA-N -1 3 380.795 3.074 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737077416 944948018 /nfs/dbraw/zinc/94/80/18/944948018.db2.gz TVUKVTCKHUYMDR-XYOKQWHBSA-N -1 3 380.795 3.074 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737077416 944948024 /nfs/dbraw/zinc/94/80/24/944948024.db2.gz TVUKVTCKHUYMDR-XYOKQWHBSA-N -1 3 380.795 3.074 20 50 GGGDHM Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737263852 945026201 /nfs/dbraw/zinc/02/62/01/945026201.db2.gz PTIJKRNTZNNDIO-UHFFFAOYSA-N -1 3 390.378 3.338 20 50 GGGDHM Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737263852 945026209 /nfs/dbraw/zinc/02/62/09/945026209.db2.gz PTIJKRNTZNNDIO-UHFFFAOYSA-N -1 3 390.378 3.338 20 50 GGGDHM Cc1cc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)n1-c1ccc(C)cc1 ZINC000737303475 945035199 /nfs/dbraw/zinc/03/51/99/945035199.db2.gz LYQFKRSJWDMZSN-UHFFFAOYSA-N -1 3 399.458 3.347 20 50 GGGDHM Cc1cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)n1-c1ccc(C)cc1 ZINC000737303475 945035212 /nfs/dbraw/zinc/03/52/12/945035212.db2.gz LYQFKRSJWDMZSN-UHFFFAOYSA-N -1 3 399.458 3.347 20 50 GGGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3cnc4ccc(-c5nnn[n-]5)cn34)c[nH]c2c1 ZINC000737372821 945051788 /nfs/dbraw/zinc/05/17/88/945051788.db2.gz LKMVYSRISPIDJG-VGOFMYFVSA-N -1 3 394.398 3.094 20 50 GGGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3cnc4ccc(-c5nn[n-]n5)cn34)c[nH]c2c1 ZINC000737372821 945051798 /nfs/dbraw/zinc/05/17/98/945051798.db2.gz LKMVYSRISPIDJG-VGOFMYFVSA-N -1 3 394.398 3.094 20 50 GGGDHM CCCn1c(C)cc(C=C(C#N)C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1C ZINC000821143889 945642589 /nfs/dbraw/zinc/64/25/89/945642589.db2.gz ZNTUBMBRLOWEQJ-ATVHPVEESA-N -1 3 389.463 3.265 20 50 GGGDHM CCCn1c(C)cc(C=C(C#N)C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1C ZINC000821143889 945642595 /nfs/dbraw/zinc/64/25/95/945642595.db2.gz ZNTUBMBRLOWEQJ-ATVHPVEESA-N -1 3 389.463 3.265 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821417384 945691031 /nfs/dbraw/zinc/69/10/31/945691031.db2.gz MNYCOJLPPSYFKN-XWAFYUISSA-N -1 3 388.431 3.050 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821417384 945691038 /nfs/dbraw/zinc/69/10/38/945691038.db2.gz MNYCOJLPPSYFKN-XWAFYUISSA-N -1 3 388.431 3.050 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821418199 945693495 /nfs/dbraw/zinc/69/34/95/945693495.db2.gz XOZBMLVQPSDPAZ-NTEUORMPSA-N -1 3 393.378 3.055 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821418199 945693496 /nfs/dbraw/zinc/69/34/96/945693496.db2.gz XOZBMLVQPSDPAZ-NTEUORMPSA-N -1 3 393.378 3.055 20 50 GGGDHM Cc1noc(C(C)C)c1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822520308 946111302 /nfs/dbraw/zinc/11/13/02/946111302.db2.gz XNPQOQURTINEIH-UHFFFAOYSA-N -1 3 395.345 3.062 20 50 GGGDHM Cc1noc(C(C)C)c1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822520308 946111310 /nfs/dbraw/zinc/11/13/10/946111310.db2.gz XNPQOQURTINEIH-UHFFFAOYSA-N -1 3 395.345 3.062 20 50 GGGDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NNc1ccc(Cl)cc1Cl ZINC000823237900 946352407 /nfs/dbraw/zinc/35/24/07/946352407.db2.gz DRKKIBLISZCHCF-UHFFFAOYSA-N -1 3 396.213 3.139 20 50 GGGDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NNc1ccc(Cl)cc1Cl ZINC000823237900 946352417 /nfs/dbraw/zinc/35/24/17/946352417.db2.gz DRKKIBLISZCHCF-UHFFFAOYSA-N -1 3 396.213 3.139 20 50 GGGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)c1cccc2ccccc21 ZINC000823269850 946368642 /nfs/dbraw/zinc/36/86/42/946368642.db2.gz RENILHQVPWEVEQ-UHFFFAOYSA-N -1 3 381.399 3.265 20 50 GGGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)c1cccc2ccccc21 ZINC000823269850 946368655 /nfs/dbraw/zinc/36/86/55/946368655.db2.gz RENILHQVPWEVEQ-UHFFFAOYSA-N -1 3 381.399 3.265 20 50 GGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000826378816 948172361 /nfs/dbraw/zinc/17/23/61/948172361.db2.gz AXRAIYQNBFUPDE-KPKJPENVSA-N -1 3 385.305 3.397 20 50 GGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000826378816 948172365 /nfs/dbraw/zinc/17/23/65/948172365.db2.gz AXRAIYQNBFUPDE-KPKJPENVSA-N -1 3 385.305 3.397 20 50 GGGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)c1ccc(Cl)s1 ZINC000826378881 948172563 /nfs/dbraw/zinc/17/25/63/948172563.db2.gz CPXUETJQQNYJGR-BJMVGYQFSA-N -1 3 381.808 3.019 20 50 GGGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)C(=O)c1ccc(Cl)s1 ZINC000826378881 948172569 /nfs/dbraw/zinc/17/25/69/948172569.db2.gz CPXUETJQQNYJGR-BJMVGYQFSA-N -1 3 381.808 3.019 20 50 GGGDHM C[C@H]1CCCC[C@@H]1CC(=O)NNc1cc(-c2nnn[n-]2)ccc1Br ZINC001576171429 949762551 /nfs/dbraw/zinc/76/25/51/949762551.db2.gz QDZZQFBBOZGWOZ-WDEREUQCSA-N -1 3 393.289 3.289 20 50 GGGDHM C[C@H]1CCCC[C@@H]1CC(=O)NNc1cc(-c2nn[n-]n2)ccc1Br ZINC001576171429 949762561 /nfs/dbraw/zinc/76/25/61/949762561.db2.gz QDZZQFBBOZGWOZ-WDEREUQCSA-N -1 3 393.289 3.289 20 50 GGGDHM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC001576178028 949875086 /nfs/dbraw/zinc/87/50/86/949875086.db2.gz FTALKNREQMHPAL-UGSOOPFHSA-N -1 3 377.452 3.207 20 50 GGGDHM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC001576178028 949875107 /nfs/dbraw/zinc/87/51/07/949875107.db2.gz FTALKNREQMHPAL-UGSOOPFHSA-N -1 3 377.452 3.207 20 50 GGGDHM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC001576178012 949878380 /nfs/dbraw/zinc/87/83/80/949878380.db2.gz FTALKNREQMHPAL-ACJLOTCBSA-N -1 3 377.452 3.207 20 50 GGGDHM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC001576178012 949878397 /nfs/dbraw/zinc/87/83/97/949878397.db2.gz FTALKNREQMHPAL-ACJLOTCBSA-N -1 3 377.452 3.207 20 50 GGGDHM CC(C)c1ccc(C[C@@H](C)NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001575190586 952462934 /nfs/dbraw/zinc/46/29/34/952462934.db2.gz TWBSXJRLQLIMAX-CQSZACIVSA-N -1 3 379.468 3.247 20 50 GGGDHM CC(C)c1ccc(C[C@@H](C)NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001575190586 952462942 /nfs/dbraw/zinc/46/29/42/952462942.db2.gz TWBSXJRLQLIMAX-CQSZACIVSA-N -1 3 379.468 3.247 20 50 GGGDHM O=C([O-])c1cc(OC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000740086846 978666346 /nfs/dbraw/zinc/66/63/46/978666346.db2.gz BMNKNNPOPOBYRK-OAHLLOKOSA-N -1 3 384.388 3.111 20 50 GGGDHM CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(CC(=O)[O-])CC2)cc1 ZINC001590451459 990013293 /nfs/dbraw/zinc/01/32/93/990013293.db2.gz LAZLHTUENLTSAH-UHFFFAOYSA-N -1 3 378.589 3.411 20 50 GGGDHM CC(C)(C)[Si](C)(C)OC1(CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)CCOCC1 ZINC001590451832 990015399 /nfs/dbraw/zinc/01/53/99/990015399.db2.gz SYXFHQRTGFRVAG-UHFFFAOYSA-N -1 3 395.576 3.078 20 50 GGGDHM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826282672 607346011 /nfs/dbraw/zinc/34/60/11/607346011.db2.gz AEOFECBVXWTYHF-AWEZNQCLSA-N -1 3 380.452 3.209 20 50 GGGDHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826403882 607334459 /nfs/dbraw/zinc/33/44/59/607334459.db2.gz GXOADIYCZRQJQJ-AWEZNQCLSA-N -1 3 376.342 3.046 20 50 GGGDHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826403882 607334461 /nfs/dbraw/zinc/33/44/61/607334461.db2.gz GXOADIYCZRQJQJ-AWEZNQCLSA-N -1 3 376.342 3.046 20 50 GGGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)n1-c1ccccc1C ZINC000826304896 607335955 /nfs/dbraw/zinc/33/59/55/607335955.db2.gz CFPLDLWRIKOMPN-UHFFFAOYSA-N -1 3 387.447 3.340 20 50 GGGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)n1-c1ccccc1C ZINC000826304896 607335956 /nfs/dbraw/zinc/33/59/56/607335956.db2.gz CFPLDLWRIKOMPN-UHFFFAOYSA-N -1 3 387.447 3.340 20 50 GGGDHM COc1ccc2sc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000826213947 607342981 /nfs/dbraw/zinc/34/29/81/607342981.db2.gz SYMRZADQUAQONF-UHFFFAOYSA-N -1 3 380.433 3.155 20 50 GGGDHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826282956 607344168 /nfs/dbraw/zinc/34/41/68/607344168.db2.gz HADQTFDHQDJPGE-CQSZACIVSA-N -1 3 380.452 3.209 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1SC(F)(F)F ZINC000826447245 607351066 /nfs/dbraw/zinc/35/10/66/607351066.db2.gz WFGJCIUMOPPKLB-UHFFFAOYSA-N -1 3 380.355 3.236 20 50 GGGDHM Cc1ccc2nc(C3CC3)cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826295523 607356874 /nfs/dbraw/zinc/35/68/74/607356874.db2.gz KUUVJJUQWDLHMS-UHFFFAOYSA-N -1 3 385.431 3.358 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC2CCCCC2)cc1 ZINC000826447199 607357070 /nfs/dbraw/zinc/35/70/70/607357070.db2.gz SUAARNXLDZCZJH-UHFFFAOYSA-N -1 3 378.436 3.335 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc2ccsc2[nH]1 ZINC000826446652 607397200 /nfs/dbraw/zinc/39/72/00/607397200.db2.gz TWUFDHGFPVNPOJ-UHFFFAOYSA-N -1 3 393.354 3.185 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc2ccsc2[nH]1 ZINC000826446652 607397202 /nfs/dbraw/zinc/39/72/02/607397202.db2.gz TWUFDHGFPVNPOJ-UHFFFAOYSA-N -1 3 393.354 3.185 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000826448701 607713110 /nfs/dbraw/zinc/71/31/10/607713110.db2.gz HOYDLXLFUBZBPK-UHFFFAOYSA-N -1 3 386.415 3.203 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000826448701 607713111 /nfs/dbraw/zinc/71/31/11/607713111.db2.gz HOYDLXLFUBZBPK-UHFFFAOYSA-N -1 3 386.415 3.203 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(c2ccc(F)cc2)CCCCC1 ZINC000826447338 607721234 /nfs/dbraw/zinc/72/12/34/607721234.db2.gz AOMMWSRUSVATFR-UHFFFAOYSA-N -1 3 380.427 3.351 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2ccc(F)cc2)CCCCC1 ZINC000826447338 607721236 /nfs/dbraw/zinc/72/12/36/607721236.db2.gz AOMMWSRUSVATFR-UHFFFAOYSA-N -1 3 380.427 3.351 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc2c1CCC2 ZINC000823281007 606127302 /nfs/dbraw/zinc/12/73/02/606127302.db2.gz LLCMGFPYQFLLHN-UHFFFAOYSA-N -1 3 388.353 3.131 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2c1CCC2 ZINC000823281007 606127304 /nfs/dbraw/zinc/12/73/04/606127304.db2.gz LLCMGFPYQFLLHN-UHFFFAOYSA-N -1 3 388.353 3.131 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nccc2ccccc21 ZINC000823281176 606129111 /nfs/dbraw/zinc/12/91/11/606129111.db2.gz NDUILORLDFHXJI-UHFFFAOYSA-N -1 3 399.336 3.191 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nccc2ccccc21 ZINC000823281176 606129114 /nfs/dbraw/zinc/12/91/14/606129114.db2.gz NDUILORLDFHXJI-UHFFFAOYSA-N -1 3 399.336 3.191 20 50 GGGDHM CC[C@H](CSc1ccccc1)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825128596 607782371 /nfs/dbraw/zinc/78/23/71/607782371.db2.gz WBZKPSHNTDWNMM-CQSZACIVSA-N -1 3 383.481 3.064 20 50 GGGDHM CC[C@H](CSc1ccccc1)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825128596 607782372 /nfs/dbraw/zinc/78/23/72/607782372.db2.gz WBZKPSHNTDWNMM-CQSZACIVSA-N -1 3 383.481 3.064 20 50 GGGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1cc(C(F)(F)F)ccc1F ZINC000826249672 607824396 /nfs/dbraw/zinc/82/43/96/607824396.db2.gz OBZHPAWTVPAMFT-UHFFFAOYSA-N -1 3 380.305 3.090 20 50 GGGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1cc(C(F)(F)F)ccc1F ZINC000826249672 607824397 /nfs/dbraw/zinc/82/43/97/607824397.db2.gz OBZHPAWTVPAMFT-UHFFFAOYSA-N -1 3 380.305 3.090 20 50 GGGDHM COc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826209522 607883498 /nfs/dbraw/zinc/88/34/98/607883498.db2.gz GGMGTBUTCQZLBG-XYOKQWHBSA-N -1 3 380.795 3.074 20 50 GGGDHM COc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826209522 607883499 /nfs/dbraw/zinc/88/34/99/607883499.db2.gz GGMGTBUTCQZLBG-XYOKQWHBSA-N -1 3 380.795 3.074 20 50 GGGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2ccc(F)cc2)s1 ZINC000826444754 607885597 /nfs/dbraw/zinc/88/55/97/607885597.db2.gz SNFJDOBZDNUTIX-UHFFFAOYSA-N -1 3 392.419 3.498 20 50 GGGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2ccc(F)cc2)s1 ZINC000826444754 607885598 /nfs/dbraw/zinc/88/55/98/607885598.db2.gz SNFJDOBZDNUTIX-UHFFFAOYSA-N -1 3 392.419 3.498 20 50 GGGDHM O=C(CCCC[C@H]1CCSS1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406487 607951927 /nfs/dbraw/zinc/95/19/27/607951927.db2.gz ZESKVTMCDYTNLK-AWEZNQCLSA-N -1 3 375.523 3.470 20 50 GGGDHM O=C(CCCC[C@H]1CCSS1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406487 607951928 /nfs/dbraw/zinc/95/19/28/607951928.db2.gz ZESKVTMCDYTNLK-AWEZNQCLSA-N -1 3 375.523 3.470 20 50 GGGDHM O=C(CCCn1ccc2cc(Cl)ccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406709 608031254 /nfs/dbraw/zinc/03/12/54/608031254.db2.gz JNKYQEJLEQTQOT-UHFFFAOYSA-N -1 3 395.854 3.398 20 50 GGGDHM O=C(CCCn1ccc2cc(Cl)ccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406709 608031255 /nfs/dbraw/zinc/03/12/55/608031255.db2.gz JNKYQEJLEQTQOT-UHFFFAOYSA-N -1 3 395.854 3.398 20 50 GGGDHM CC(=NNC(=O)c1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823948459 608094435 /nfs/dbraw/zinc/09/44/35/608094435.db2.gz NVCBSXQCNYGNCJ-UHFFFAOYSA-N -1 3 381.248 3.389 20 50 GGGDHM N#CC(=Cc1ccc(OCC(F)F)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378850 608215444 /nfs/dbraw/zinc/21/54/44/608215444.db2.gz BRYBWTJCZJOLGA-OVCLIPMQSA-N -1 3 381.342 3.300 20 50 GGGDHM N#CC(=Cc1ccc(OCC(F)F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378850 608215446 /nfs/dbraw/zinc/21/54/46/608215446.db2.gz BRYBWTJCZJOLGA-OVCLIPMQSA-N -1 3 381.342 3.300 20 50 GGGDHM N#CC(=Cc1ccccc1Br)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379159 608215587 /nfs/dbraw/zinc/21/55/87/608215587.db2.gz KQFXXMDAYNAHKQ-ZSOIEALJSA-N -1 3 380.205 3.419 20 50 GGGDHM N#CC(=Cc1ccccc1Br)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379159 608215588 /nfs/dbraw/zinc/21/55/88/608215588.db2.gz KQFXXMDAYNAHKQ-ZSOIEALJSA-N -1 3 380.205 3.419 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(Cl)cc2F)cc1-c1nnn[n-]1 ZINC000826190810 608288081 /nfs/dbraw/zinc/28/80/81/608288081.db2.gz NXAGWKHCUMPSAX-WDZFZDKYSA-N -1 3 383.770 3.458 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(Cl)cc2F)cc1-c1nn[n-]n1 ZINC000826190810 608288083 /nfs/dbraw/zinc/28/80/83/608288083.db2.gz NXAGWKHCUMPSAX-WDZFZDKYSA-N -1 3 383.770 3.458 20 50 GGGDHM O=C(NN=c1[nH]c2ccccc2[nH]1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826450064 608549114 /nfs/dbraw/zinc/54/91/14/608549114.db2.gz VTNPQPATDNXVEI-UHFFFAOYSA-N -1 3 396.414 3.167 20 50 GGGDHM O=C(NN=c1[nH]c2ccccc2[nH]1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826450064 608549115 /nfs/dbraw/zinc/54/91/15/608549115.db2.gz VTNPQPATDNXVEI-UHFFFAOYSA-N -1 3 396.414 3.167 20 50 GGGDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826464908 608810738 /nfs/dbraw/zinc/81/07/38/608810738.db2.gz RGKCZHVNEFDSLA-UOWOHEGISA-N -1 3 395.232 3.003 20 50 GGGDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826464908 608810740 /nfs/dbraw/zinc/81/07/40/608810740.db2.gz RGKCZHVNEFDSLA-UOWOHEGISA-N -1 3 395.232 3.003 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000826447983 608814449 /nfs/dbraw/zinc/81/44/49/608814449.db2.gz CZEYDIFFEUINHV-UHFFFAOYSA-N -1 3 376.380 3.034 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000826447983 608814453 /nfs/dbraw/zinc/81/44/53/608814453.db2.gz CZEYDIFFEUINHV-UHFFFAOYSA-N -1 3 376.380 3.034 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Oc2ccccn2)c1 ZINC000826447942 608814673 /nfs/dbraw/zinc/81/46/73/608814673.db2.gz BQDKIEINYXGHGP-UHFFFAOYSA-N -1 3 388.391 3.203 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Oc2ccccn2)c1 ZINC000826447942 608814675 /nfs/dbraw/zinc/81/46/75/608814675.db2.gz BQDKIEINYXGHGP-UHFFFAOYSA-N -1 3 388.391 3.203 20 50 GGGDHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824207043 608815622 /nfs/dbraw/zinc/81/56/22/608815622.db2.gz OKDVCVWWVUXOME-MRXNPFEDSA-N -1 3 386.843 3.067 20 50 GGGDHM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824207042 608816012 /nfs/dbraw/zinc/81/60/12/608816012.db2.gz OKDVCVWWVUXOME-INIZCTEOSA-N -1 3 386.843 3.067 20 50 GGGDHM O=C(NNc1ccccc1C(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826449276 609288970 /nfs/dbraw/zinc/28/89/70/609288970.db2.gz JSMNZTMIEYJMRH-UHFFFAOYSA-N -1 3 382.733 3.296 20 50 GGGDHM O=C(NNc1ccccc1C(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826449276 609288971 /nfs/dbraw/zinc/28/89/71/609288971.db2.gz JSMNZTMIEYJMRH-UHFFFAOYSA-N -1 3 382.733 3.296 20 50 GGGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1CCCC[C@H]1c1ccccc1 ZINC000737918415 945150370 /nfs/dbraw/zinc/15/03/70/945150370.db2.gz DFRSHJLNPHMVAQ-SFHVURJKSA-N -1 3 390.447 3.076 20 50 GGGDHM O=C(NNc1ccccc1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738137900 945248810 /nfs/dbraw/zinc/24/88/10/945248810.db2.gz UNMXMBLVIUWCAL-UHFFFAOYSA-N -1 3 386.415 3.203 20 50 GGGDHM O=C(NNc1ccccc1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000738137900 945248817 /nfs/dbraw/zinc/24/88/17/945248817.db2.gz UNMXMBLVIUWCAL-UHFFFAOYSA-N -1 3 386.415 3.203 20 50 GGGDHM C=CCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000819758957 945283457 /nfs/dbraw/zinc/28/34/57/945283457.db2.gz KDDAOARTPXBXSN-CXUHLZMHSA-N -1 3 376.395 3.400 20 50 GGGDHM C=CCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000819758957 945283465 /nfs/dbraw/zinc/28/34/65/945283465.db2.gz KDDAOARTPXBXSN-CXUHLZMHSA-N -1 3 376.395 3.400 20 50 GGGDHM CC(C)(C)c1csc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)n1 ZINC000819965303 945317606 /nfs/dbraw/zinc/31/76/06/945317606.db2.gz AMCPZNBBLSTULM-WTKPLQERSA-N -1 3 385.478 3.228 20 50 GGGDHM CC(C)(C)c1csc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)n1 ZINC000819965303 945317614 /nfs/dbraw/zinc/31/76/14/945317614.db2.gz AMCPZNBBLSTULM-WTKPLQERSA-N -1 3 385.478 3.228 20 50 GGGDHM C=CCOC(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735438173 944651384 /nfs/dbraw/zinc/65/13/84/944651384.db2.gz XOKMPXFNHYKEEF-GZTJUZNOSA-N -1 3 387.399 3.082 20 50 GGGDHM C=CCOC(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735438173 944651397 /nfs/dbraw/zinc/65/13/97/944651397.db2.gz XOKMPXFNHYKEEF-GZTJUZNOSA-N -1 3 387.399 3.082 20 50 GGGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(SC(F)F)cc1 ZINC000735446741 944653177 /nfs/dbraw/zinc/65/31/77/944653177.db2.gz DJORPUFACPNRIK-UHFFFAOYSA-N -1 3 388.403 3.335 20 50 GGGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(SC(F)F)cc1 ZINC000735446741 944653183 /nfs/dbraw/zinc/65/31/83/944653183.db2.gz DJORPUFACPNRIK-UHFFFAOYSA-N -1 3 388.403 3.335 20 50 GGGDHM CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735448010 944654609 /nfs/dbraw/zinc/65/46/09/944654609.db2.gz NPOCSOKPMPNGHH-UHFFFAOYSA-N -1 3 387.350 3.014 20 50 GGGDHM CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735448010 944654616 /nfs/dbraw/zinc/65/46/16/944654616.db2.gz NPOCSOKPMPNGHH-UHFFFAOYSA-N -1 3 387.350 3.014 20 50 GGGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCCCC2)cc1 ZINC000735447947 944655776 /nfs/dbraw/zinc/65/57/76/944655776.db2.gz MWQQVINQSBRLSS-UHFFFAOYSA-N -1 3 389.463 3.011 20 50 GGGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCCC2)cc1 ZINC000735447947 944655783 /nfs/dbraw/zinc/65/57/83/944655783.db2.gz MWQQVINQSBRLSS-UHFFFAOYSA-N -1 3 389.463 3.011 20 50 GGGDHM CC(C)c1ccc(CCCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735922069 944714146 /nfs/dbraw/zinc/71/41/46/944714146.db2.gz BHIHXQOZUFECHT-UHFFFAOYSA-N -1 3 379.468 3.249 20 50 GGGDHM CC(C)c1ccc(CCCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735922069 944714154 /nfs/dbraw/zinc/71/41/54/944714154.db2.gz BHIHXQOZUFECHT-UHFFFAOYSA-N -1 3 379.468 3.249 20 50 GGGDHM CCCn1c(C)cc(C=C(C#N)C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736499431 944835446 /nfs/dbraw/zinc/83/54/46/944835446.db2.gz FEHYYIYPHAUEQA-LDADJPATSA-N -1 3 389.463 3.265 20 50 GGGDHM CCCn1c(C)cc(C=C(C#N)C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736499431 944835454 /nfs/dbraw/zinc/83/54/54/944835454.db2.gz FEHYYIYPHAUEQA-LDADJPATSA-N -1 3 389.463 3.265 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1-c1nnn[n-]1 ZINC000737073832 944944721 /nfs/dbraw/zinc/94/47/21/944944721.db2.gz CGONUZUKDJLXAW-CXUHLZMHSA-N -1 3 388.431 3.346 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1-c1nn[n-]n1 ZINC000737073832 944944730 /nfs/dbraw/zinc/94/47/30/944944730.db2.gz CGONUZUKDJLXAW-CXUHLZMHSA-N -1 3 388.431 3.346 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2cccc(C)c2)cc(-c2nnn[n-]2)n1C ZINC000737390865 945056297 /nfs/dbraw/zinc/05/62/97/945056297.db2.gz WJIKQBAASPOKBO-VEJKBTLKSA-N -1 3 376.420 3.033 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2cccc(C)c2)cc(-c2nn[n-]n2)n1C ZINC000737390865 945056306 /nfs/dbraw/zinc/05/63/06/945056306.db2.gz WJIKQBAASPOKBO-VEJKBTLKSA-N -1 3 376.420 3.033 20 50 GGGDHM C[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820374989 945439494 /nfs/dbraw/zinc/43/94/94/945439494.db2.gz VHZUGIOBLOOAPX-SNVBAGLBSA-N -1 3 391.357 3.273 20 50 GGGDHM C[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820374989 945439502 /nfs/dbraw/zinc/43/95/02/945439502.db2.gz VHZUGIOBLOOAPX-SNVBAGLBSA-N -1 3 391.357 3.273 20 50 GGGDHM CCCC[C@H](CCC)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821040548 945621075 /nfs/dbraw/zinc/62/10/75/945621075.db2.gz NATUYPVYEOHUSL-HAKPAVFJSA-N -1 3 383.500 3.143 20 50 GGGDHM CCCC[C@H](CCC)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821040548 945621080 /nfs/dbraw/zinc/62/10/80/945621080.db2.gz NATUYPVYEOHUSL-HAKPAVFJSA-N -1 3 383.500 3.143 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821417383 945690639 /nfs/dbraw/zinc/69/06/39/945690639.db2.gz MNYCOJLPPSYFKN-JVVDOCDTSA-N -1 3 388.431 3.050 20 50 GGGDHM CCOc1ccc(C=C(C#N)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821417383 945690645 /nfs/dbraw/zinc/69/06/45/945690645.db2.gz MNYCOJLPPSYFKN-JVVDOCDTSA-N -1 3 388.431 3.050 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821787273 945864030 /nfs/dbraw/zinc/86/40/30/945864030.db2.gz QSCQSIBDRABHNE-MFVBVHDHSA-N -1 3 375.388 3.087 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821787273 945864046 /nfs/dbraw/zinc/86/40/46/945864046.db2.gz QSCQSIBDRABHNE-MFVBVHDHSA-N -1 3 375.388 3.087 20 50 GGGDHM Cc1cccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1F ZINC000822284142 946042740 /nfs/dbraw/zinc/04/27/40/946042740.db2.gz KHUQWGAOKIZNLS-UHFFFAOYSA-N -1 3 380.305 3.090 20 50 GGGDHM Cc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1F ZINC000822284142 946042750 /nfs/dbraw/zinc/04/27/50/946042750.db2.gz KHUQWGAOKIZNLS-UHFFFAOYSA-N -1 3 380.305 3.090 20 50 GGGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1c(Cl)cccc1Cl ZINC000822929685 946223044 /nfs/dbraw/zinc/22/30/44/946223044.db2.gz WSJGIOLHVXTJRY-HJWRWDBZSA-N -1 3 375.219 3.330 20 50 GGGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1c(Cl)cccc1Cl ZINC000822929685 946223057 /nfs/dbraw/zinc/22/30/57/946223057.db2.gz WSJGIOLHVXTJRY-HJWRWDBZSA-N -1 3 375.219 3.330 20 50 GGGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc2c(s1)CCCCCC2 ZINC000823273218 946378709 /nfs/dbraw/zinc/37/87/09/946378709.db2.gz ISCYNGVLBTWIOE-UHFFFAOYSA-N -1 3 398.467 3.490 20 50 GGGDHM O=C(NN=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc2c(s1)CCCCCC2 ZINC000823273218 946378716 /nfs/dbraw/zinc/37/87/16/946378716.db2.gz ISCYNGVLBTWIOE-UHFFFAOYSA-N -1 3 398.467 3.490 20 50 GGGDHM C=CCC1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC1 ZINC001573329280 947417892 /nfs/dbraw/zinc/41/78/92/947417892.db2.gz GWOMDXYPBASDLN-UHFFFAOYSA-N -1 3 380.374 3.465 20 50 GGGDHM C=CCC1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC1 ZINC001573329280 947417898 /nfs/dbraw/zinc/41/78/98/947417898.db2.gz GWOMDXYPBASDLN-UHFFFAOYSA-N -1 3 380.374 3.465 20 50 GGGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)c1ccc(Cl)s1 ZINC000826378882 948171726 /nfs/dbraw/zinc/17/17/26/948171726.db2.gz CPXUETJQQNYJGR-YHYXMXQVSA-N -1 3 381.808 3.019 20 50 GGGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)C(=O)c1ccc(Cl)s1 ZINC000826378882 948171730 /nfs/dbraw/zinc/17/17/30/948171730.db2.gz CPXUETJQQNYJGR-YHYXMXQVSA-N -1 3 381.808 3.019 20 50 GGGDHM N#CC(=Cc1cc(Cl)cc2c1OCC2)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379716 948173453 /nfs/dbraw/zinc/17/34/53/948173453.db2.gz ZJDLTNDYQRTBIG-VIZOYTHASA-N -1 3 377.791 3.245 20 50 GGGDHM N#CC(=Cc1cc(Cl)cc2c1OCC2)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379716 948173459 /nfs/dbraw/zinc/17/34/59/948173459.db2.gz ZJDLTNDYQRTBIG-VIZOYTHASA-N -1 3 377.791 3.245 20 50 GGGDHM C[C@H]1CCC[C@H](NC(=O)NNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001576155092 949381769 /nfs/dbraw/zinc/38/17/69/949381769.db2.gz SRMDLBBMJAXYLT-ONGXEEELSA-N -1 3 383.378 3.090 20 50 GGGDHM C[C@H](CNC(=O)NNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(C)(C)C ZINC001574950745 949543992 /nfs/dbraw/zinc/54/39/92/949543992.db2.gz TXDOTEAQOBOWQA-SECBINFHSA-N -1 3 385.394 3.194 20 50 GGGDHM CCN(CC)[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1C)c1ccsc1 ZINC001596254585 983664027 /nfs/dbraw/zinc/66/40/27/983664027.db2.gz UWAUTGVLIAUZHN-KRWDZBQOSA-N -1 3 390.509 3.464 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(COc2ccccc2)cc1 ZINC000826446979 607339577 /nfs/dbraw/zinc/33/95/77/607339577.db2.gz ICBBMJAFRYQZSB-UHFFFAOYSA-N -1 3 386.415 3.203 20 50 GGGDHM COc1ccc(CCCCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826191955 607340314 /nfs/dbraw/zinc/34/03/14/607340314.db2.gz VOOUZKXFYUDNLE-UHFFFAOYSA-N -1 3 380.452 3.122 20 50 GGGDHM Cc1ccc(-c2nc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000826273580 607340630 /nfs/dbraw/zinc/34/06/30/607340630.db2.gz KMABTSBUEOYUSW-UHFFFAOYSA-N -1 3 377.433 3.056 20 50 GGGDHM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824457721 607345227 /nfs/dbraw/zinc/34/52/27/607345227.db2.gz QVEDFNZMJQWCFS-LLVKDONJSA-N -1 3 390.369 3.207 20 50 GGGDHM O=C(CCOc1ccc(Cl)c(Cl)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408005 607351958 /nfs/dbraw/zinc/35/19/58/607351958.db2.gz MAMVDROBIUEXBO-UHFFFAOYSA-N -1 3 393.234 3.086 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000826447022 607352333 /nfs/dbraw/zinc/35/23/33/607352333.db2.gz KDOPQEPCWWYSKL-UHFFFAOYSA-N -1 3 380.408 3.491 20 50 GGGDHM Cc1nc(-c2cccs2)c(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826323071 607354464 /nfs/dbraw/zinc/35/44/64/607354464.db2.gz OPMDHCUWTPCOEH-UHFFFAOYSA-N -1 3 397.489 3.046 20 50 GGGDHM 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CC(C)(C)c1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n(C(C)(C)C)n1 ZINC000824130939 608810925 /nfs/dbraw/zinc/81/09/25/608810925.db2.gz SRMVOILZKVODED-UHFFFAOYSA-N -1 3 397.487 3.264 20 50 GGGDHM CC(C)(C)c1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n(C(C)(C)C)n1 ZINC000824130939 608810927 /nfs/dbraw/zinc/81/09/27/608810927.db2.gz SRMVOILZKVODED-UHFFFAOYSA-N -1 3 397.487 3.264 20 50 GGGDHM O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826447420 608814486 /nfs/dbraw/zinc/81/44/86/608814486.db2.gz FBZRMXIPEORUKU-UHFFFAOYSA-N -1 3 382.186 3.461 20 50 GGGDHM O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826447420 608814490 /nfs/dbraw/zinc/81/44/90/608814490.db2.gz FBZRMXIPEORUKU-UHFFFAOYSA-N -1 3 382.186 3.461 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1CC(F)(F)F ZINC000826448435 608815955 /nfs/dbraw/zinc/81/59/55/608815955.db2.gz VHDYDFHYMUKQOL-UHFFFAOYSA-N -1 3 377.330 3.120 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1CC(F)(F)F ZINC000826448435 608815956 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/nfs/dbraw/zinc/24/43/83/945244383.db2.gz NYCGKUXAPJPAQK-UHFFFAOYSA-N -1 3 386.415 3.203 20 50 GGGDHM C[C@H](C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccsc1 ZINC000819866217 945299755 /nfs/dbraw/zinc/29/97/55/945299755.db2.gz KXELTLRNTAVSSA-QMMMGPOBSA-N -1 3 382.371 3.194 20 50 GGGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccsc1 ZINC000819866217 945299761 /nfs/dbraw/zinc/29/97/61/945299761.db2.gz KXELTLRNTAVSSA-QMMMGPOBSA-N -1 3 382.371 3.194 20 50 GGGDHM C[C@@H](C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1F ZINC000819865784 945299910 /nfs/dbraw/zinc/29/99/10/945299910.db2.gz HVGXIMJFDBKZEM-SECBINFHSA-N -1 3 394.332 3.271 20 50 GGGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1F ZINC000819865784 945299917 /nfs/dbraw/zinc/29/99/17/945299917.db2.gz HVGXIMJFDBKZEM-SECBINFHSA-N -1 3 394.332 3.271 20 50 GGGDHM CC(C)(C)c1csc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)n1 ZINC000819965302 945318631 /nfs/dbraw/zinc/31/86/31/945318631.db2.gz AMCPZNBBLSTULM-RUDMXATFSA-N -1 3 385.478 3.228 20 50 GGGDHM CC(C)(C)c1csc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)n1 ZINC000819965302 945318637 /nfs/dbraw/zinc/31/86/37/945318637.db2.gz AMCPZNBBLSTULM-RUDMXATFSA-N -1 3 385.478 3.228 20 50 GGGDHM CC(C)COc1ccc([C@@H](C)NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820103409 945353228 /nfs/dbraw/zinc/35/32/28/945353228.db2.gz YGYVTNHUUYWVEP-CQSZACIVSA-N -1 3 395.467 3.289 20 50 GGGDHM CC(C)COc1ccc([C@@H](C)NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820103409 945353236 /nfs/dbraw/zinc/35/32/36/945353236.db2.gz YGYVTNHUUYWVEP-CQSZACIVSA-N -1 3 395.467 3.289 20 50 GGGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc2cc(Cl)ccc2o1 ZINC000735448558 944656556 /nfs/dbraw/zinc/65/65/56/944656556.db2.gz SIYDMDZEZRWTCE-UHFFFAOYSA-N -1 3 380.795 3.420 20 50 GGGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc2cc(Cl)ccc2o1 ZINC000735448558 944656564 /nfs/dbraw/zinc/65/65/64/944656564.db2.gz SIYDMDZEZRWTCE-UHFFFAOYSA-N -1 3 380.795 3.420 20 50 GGGDHM CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736423608 944818339 /nfs/dbraw/zinc/81/83/39/944818339.db2.gz VHRJTDRIEFOLLL-QGZVFWFLSA-N -1 3 384.484 3.014 20 50 GGGDHM CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736423608 944818350 /nfs/dbraw/zinc/81/83/50/944818350.db2.gz VHRJTDRIEFOLLL-QGZVFWFLSA-N -1 3 384.484 3.014 20 50 GGGDHM CCOc1ccccc1[C@@H](CC)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736653762 944862987 /nfs/dbraw/zinc/86/29/87/944862987.db2.gz MXFZREMKLUTXMF-MRXNPFEDSA-N -1 3 381.440 3.043 20 50 GGGDHM CCOc1ccccc1[C@@H](CC)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736653762 944862992 /nfs/dbraw/zinc/86/29/92/944862992.db2.gz MXFZREMKLUTXMF-MRXNPFEDSA-N -1 3 381.440 3.043 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1-c1nnn[n-]1 ZINC000737078243 944948287 /nfs/dbraw/zinc/94/82/87/944948287.db2.gz ZKRYYNLNMGBHQS-ZROIWOOFSA-N -1 3 384.399 3.455 20 50 GGGDHM COc1ccc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1-c1nn[n-]n1 ZINC000737078243 944948291 /nfs/dbraw/zinc/94/82/91/944948291.db2.gz ZKRYYNLNMGBHQS-ZROIWOOFSA-N -1 3 384.399 3.455 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](C(C)(C)C)CC2)cc(-c2nnn[n-]2)n1C ZINC000737212667 944995059 /nfs/dbraw/zinc/99/50/59/944995059.db2.gz LYVGHZZFLGPGMP-YTBHAWNYSA-N -1 3 395.511 3.095 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](C(C)(C)C)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212667 944995065 /nfs/dbraw/zinc/99/50/65/944995065.db2.gz LYVGHZZFLGPGMP-YTBHAWNYSA-N -1 3 395.511 3.095 20 50 GGGDHM Cc1cc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737279858 945028467 /nfs/dbraw/zinc/02/84/67/945028467.db2.gz SBBCYUZRDUXQFF-UHFFFAOYSA-N -1 3 397.391 3.238 20 50 GGGDHM Cc1cc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737279858 945028479 /nfs/dbraw/zinc/02/84/79/945028479.db2.gz SBBCYUZRDUXQFF-UHFFFAOYSA-N -1 3 397.391 3.238 20 50 GGGDHM CC(CC1CC1)=NNC(=O)COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820232845 945391405 /nfs/dbraw/zinc/39/14/05/945391405.db2.gz HOIQYPWMKXNYNQ-UHFFFAOYSA-N -1 3 390.447 3.205 20 50 GGGDHM CC(CC1CC1)=NNC(=O)COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820232845 945391414 /nfs/dbraw/zinc/39/14/14/945391414.db2.gz HOIQYPWMKXNYNQ-UHFFFAOYSA-N -1 3 390.447 3.205 20 50 GGGDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)C(C#N)=C1Nc2ccccc2N1 ZINC000820555023 945483817 /nfs/dbraw/zinc/48/38/17/945483817.db2.gz DWFGNPCBRNYDSG-LLVKDONJSA-N -1 3 389.444 3.189 20 50 GGGDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)C(C#N)=C1Nc2ccccc2N1 ZINC000820555023 945483821 /nfs/dbraw/zinc/48/38/21/945483821.db2.gz DWFGNPCBRNYDSG-LLVKDONJSA-N -1 3 389.444 3.189 20 50 GGGDHM CCOc1ccccc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821431382 945695546 /nfs/dbraw/zinc/69/55/46/945695546.db2.gz SIUDXAVXGSYPER-UHFFFAOYSA-N -1 3 392.341 3.041 20 50 GGGDHM CCOc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821431382 945695551 /nfs/dbraw/zinc/69/55/51/945695551.db2.gz SIUDXAVXGSYPER-UHFFFAOYSA-N -1 3 392.341 3.041 20 50 GGGDHM COc1cccc(C=C(C#N)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821863530 945887344 /nfs/dbraw/zinc/88/73/44/945887344.db2.gz MPZMIVMISUCEMM-OMJMQIJPSA-N -1 3 375.388 3.087 20 50 GGGDHM COc1cccc(C=C(C#N)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821863530 945887359 /nfs/dbraw/zinc/88/73/59/945887359.db2.gz MPZMIVMISUCEMM-OMJMQIJPSA-N -1 3 375.388 3.087 20 50 GGGDHM Cc1ccc(C=C(C#N)C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234018 946017745 /nfs/dbraw/zinc/01/77/45/946017745.db2.gz ZUVWNYCMACIHPV-LDADJPATSA-N -1 3 389.415 3.094 20 50 GGGDHM Cc1ccc(C=C(C#N)C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234018 946017750 /nfs/dbraw/zinc/01/77/50/946017750.db2.gz ZUVWNYCMACIHPV-LDADJPATSA-N -1 3 389.415 3.094 20 50 GGGDHM Cc1ccc(SCC(=O)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000822267281 946039151 /nfs/dbraw/zinc/03/91/51/946039151.db2.gz QRCVQSJJYIJFCQ-UHFFFAOYSA-N -1 3 392.488 3.124 20 50 GGGDHM Cc1ccc(SCC(=O)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000822267281 946039160 /nfs/dbraw/zinc/03/91/60/946039160.db2.gz QRCVQSJJYIJFCQ-UHFFFAOYSA-N -1 3 392.488 3.124 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccccc2C)cc(-c2nnn[n-]2)n1C ZINC000822345960 946060787 /nfs/dbraw/zinc/06/07/87/946060787.db2.gz YBENLXNGBSUQAQ-CIKBWMHTSA-N -1 3 376.420 3.033 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccccc2C)cc(-c2nn[n-]n2)n1C ZINC000822345960 946060799 /nfs/dbraw/zinc/06/07/99/946060799.db2.gz YBENLXNGBSUQAQ-CIKBWMHTSA-N -1 3 376.420 3.033 20 50 GGGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNc1c(Cl)cccc1Cl ZINC000822979165 946243736 /nfs/dbraw/zinc/24/37/36/946243736.db2.gz XOABBOWTYCLCAG-UHFFFAOYSA-N -1 3 377.235 3.249 20 50 GGGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNc1c(Cl)cccc1Cl ZINC000822979165 946243741 /nfs/dbraw/zinc/24/37/41/946243741.db2.gz XOABBOWTYCLCAG-UHFFFAOYSA-N -1 3 377.235 3.249 20 50 GGGDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NNc1cc(Cl)ccc1Cl ZINC000823238228 946354236 /nfs/dbraw/zinc/35/42/36/946354236.db2.gz JFMVUTVYGNSSEN-UHFFFAOYSA-N -1 3 396.213 3.139 20 50 GGGDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NNc1cc(Cl)ccc1Cl ZINC000823238228 946354246 /nfs/dbraw/zinc/35/42/46/946354246.db2.gz JFMVUTVYGNSSEN-UHFFFAOYSA-N -1 3 396.213 3.139 20 50 GGGDHM CC1=C(C)C[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC001575860517 949304309 /nfs/dbraw/zinc/30/43/09/949304309.db2.gz JPHRMZAORHUDGU-LLVKDONJSA-N -1 3 380.374 3.465 20 50 GGGDHM CC1=C(C)C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC001575860517 949304333 /nfs/dbraw/zinc/30/43/33/949304333.db2.gz JPHRMZAORHUDGU-LLVKDONJSA-N -1 3 380.374 3.465 20 50 GGGDHM C[C@@H]1CCC[C@H](NC(=O)NNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001576155088 949377671 /nfs/dbraw/zinc/37/76/71/949377671.db2.gz SRMDLBBMJAXYLT-KOLCDFICSA-N -1 3 383.378 3.090 20 50 GGGDHM O=C(CSc1cc(Cl)ccc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826420366 607334306 /nfs/dbraw/zinc/33/43/06/607334306.db2.gz JQHHDYXCWUHYMQ-UHFFFAOYSA-N -1 3 395.275 3.409 20 50 GGGDHM O=C(CSc1cc(Cl)ccc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826420366 607334308 /nfs/dbraw/zinc/33/43/08/607334308.db2.gz JQHHDYXCWUHYMQ-UHFFFAOYSA-N -1 3 395.275 3.409 20 50 GGGDHM COc1ccc2cc(C=CC(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000826213312 607335590 /nfs/dbraw/zinc/33/55/90/607335590.db2.gz STLDXEOEZDSBPE-POHAHGRESA-N -1 3 386.415 3.185 20 50 GGGDHM COc1ccc2cc(C=CC(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000826213312 607335592 /nfs/dbraw/zinc/33/55/92/607335592.db2.gz STLDXEOEZDSBPE-POHAHGRESA-N -1 3 386.415 3.185 20 50 GGGDHM O=C(CCc1cccc(OC2CCCC2)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409221 607340977 /nfs/dbraw/zinc/34/09/77/607340977.db2.gz NITNYLNQXMDPPD-UHFFFAOYSA-N -1 3 392.463 3.264 20 50 GGGDHM O=C(CCCOc1cccc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406026 607349656 /nfs/dbraw/zinc/34/96/56/607349656.db2.gz FAQODFTZXKBDLE-UHFFFAOYSA-N -1 3 388.431 3.322 20 50 GGGDHM Cc1ccc(-c2ncc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)s2)c(C)c1 ZINC000826273716 607354179 /nfs/dbraw/zinc/35/41/79/607354179.db2.gz QSXAFBZPSIGWGJ-UHFFFAOYSA-N -1 3 391.460 3.364 20 50 GGGDHM COc1cc(C2(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCCC2)ccc1C ZINC000826178871 607349022 /nfs/dbraw/zinc/34/90/22/607349022.db2.gz PHSUZQVMYMUTAC-UHFFFAOYSA-N -1 3 392.463 3.139 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC000826447513 607354810 /nfs/dbraw/zinc/35/48/10/607354810.db2.gz JNCWWKRGCIXDOK-UHFFFAOYSA-N -1 3 397.851 3.401 20 50 GGGDHM CC(C)(C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000824065222 607394539 /nfs/dbraw/zinc/39/45/39/607394539.db2.gz WUICQYUTHFYRJD-UHFFFAOYSA-N -1 3 396.398 3.368 20 50 GGGDHM CC(C)(C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000824065222 607394541 /nfs/dbraw/zinc/39/45/41/607394541.db2.gz WUICQYUTHFYRJD-UHFFFAOYSA-N -1 3 396.398 3.368 20 50 GGGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccc(Cl)cc1Cl ZINC000824744653 607711078 /nfs/dbraw/zinc/71/10/78/607711078.db2.gz CVVUUGZBERLDOW-VIFPVBQESA-N -1 3 393.234 3.084 20 50 GGGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccc(Cl)cc1Cl ZINC000824744653 607711080 /nfs/dbraw/zinc/71/10/80/607711080.db2.gz CVVUUGZBERLDOW-VIFPVBQESA-N -1 3 393.234 3.084 20 50 GGGDHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826242423 607713845 /nfs/dbraw/zinc/71/38/45/607713845.db2.gz OALZJUJGRLCJPY-CQSZACIVSA-N -1 3 379.468 3.388 20 50 GGGDHM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826242423 607713846 /nfs/dbraw/zinc/71/38/46/607713846.db2.gz OALZJUJGRLCJPY-CQSZACIVSA-N -1 3 379.468 3.388 20 50 GGGDHM O=C(CCOc1ccc(Cl)cc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407788 607714140 /nfs/dbraw/zinc/71/41/40/607714140.db2.gz BAKHSAGVQXWVKH-UHFFFAOYSA-N -1 3 393.234 3.086 20 50 GGGDHM O=C(CCOc1ccc(Cl)cc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407788 607714141 /nfs/dbraw/zinc/71/41/41/607714141.db2.gz BAKHSAGVQXWVKH-UHFFFAOYSA-N -1 3 393.234 3.086 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000826448180 607715906 /nfs/dbraw/zinc/71/59/06/607715906.db2.gz KZZXKNZIMWMZRW-LSDHHAIUSA-N -1 3 389.246 3.420 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000826448180 607715908 /nfs/dbraw/zinc/71/59/08/607715908.db2.gz KZZXKNZIMWMZRW-LSDHHAIUSA-N -1 3 389.246 3.420 20 50 GGGDHM Cc1ccc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826286081 607717890 /nfs/dbraw/zinc/71/78/90/607717890.db2.gz RNGPLBYHSAWWKO-BQYQJAHWSA-N -1 3 399.252 3.094 20 50 GGGDHM Cc1ccc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826286081 607717892 /nfs/dbraw/zinc/71/78/92/607717892.db2.gz RNGPLBYHSAWWKO-BQYQJAHWSA-N -1 3 399.252 3.094 20 50 GGGDHM CC(=O)c1ccc(-c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000824009661 607718112 /nfs/dbraw/zinc/71/81/12/607718112.db2.gz CBMOVIFVOMCNSG-UHFFFAOYSA-N -1 3 388.387 3.086 20 50 GGGDHM CC(=O)c1ccc(-c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000824009661 607718114 /nfs/dbraw/zinc/71/81/14/607718114.db2.gz CBMOVIFVOMCNSG-UHFFFAOYSA-N -1 3 388.387 3.086 20 50 GGGDHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824746592 607721987 /nfs/dbraw/zinc/72/19/87/607721987.db2.gz WINSSNHBILEADC-SECBINFHSA-N -1 3 393.234 3.084 20 50 GGGDHM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824746592 607721989 /nfs/dbraw/zinc/72/19/89/607721989.db2.gz WINSSNHBILEADC-SECBINFHSA-N -1 3 393.234 3.084 20 50 GGGDHM Cc1cc(O[C@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000826272067 607726204 /nfs/dbraw/zinc/72/62/04/607726204.db2.gz SNSRALHJSQQWRD-CQSZACIVSA-N -1 3 380.452 3.209 20 50 GGGDHM Cc1cc(O[C@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1C(C)C ZINC000826272067 607726205 /nfs/dbraw/zinc/72/62/05/607726205.db2.gz SNSRALHJSQQWRD-CQSZACIVSA-N -1 3 380.452 3.209 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000826447702 607730290 /nfs/dbraw/zinc/73/02/90/607730290.db2.gz SGOWNSDAFAMHFO-IBGZPJMESA-N -1 3 386.415 3.130 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000826447702 607730292 /nfs/dbraw/zinc/73/02/92/607730292.db2.gz SGOWNSDAFAMHFO-IBGZPJMESA-N -1 3 386.415 3.130 20 50 GGGDHM Cc1nc(-c2cccs2)c(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826322788 607731571 /nfs/dbraw/zinc/73/15/71/607731571.db2.gz BKWGAAMFGBWPQW-UHFFFAOYSA-N -1 3 397.489 3.046 20 50 GGGDHM Cc1nc(-c2cccs2)c(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826322788 607731573 /nfs/dbraw/zinc/73/15/73/607731573.db2.gz BKWGAAMFGBWPQW-UHFFFAOYSA-N -1 3 397.489 3.046 20 50 GGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc2[nH]ccc21 ZINC000823281633 606129118 /nfs/dbraw/zinc/12/91/18/606129118.db2.gz VPRIVDBJWULWPU-UHFFFAOYSA-N -1 3 387.325 3.124 20 50 GGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2[nH]ccc21 ZINC000823281633 606129121 /nfs/dbraw/zinc/12/91/21/606129121.db2.gz VPRIVDBJWULWPU-UHFFFAOYSA-N -1 3 387.325 3.124 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1NCc1ccccc1 ZINC000826448922 608198858 /nfs/dbraw/zinc/19/88/58/608198858.db2.gz SHNWMQQONZJSAE-UHFFFAOYSA-N -1 3 385.431 3.236 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1NCc1ccccc1 ZINC000826448922 608198860 /nfs/dbraw/zinc/19/88/60/608198860.db2.gz SHNWMQQONZJSAE-UHFFFAOYSA-N -1 3 385.431 3.236 20 50 GGGDHM N#CC(=Cc1cc(O)ccc1Br)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378845 608213922 /nfs/dbraw/zinc/21/39/22/608213922.db2.gz BOWUSQLIEUIAII-NTUHNPAUSA-N -1 3 396.204 3.125 20 50 GGGDHM CCOCc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1OC ZINC000825605215 608214467 /nfs/dbraw/zinc/21/44/67/608214467.db2.gz RRQHAEAYVHMEOH-MFOYZWKCSA-N -1 3 389.415 3.202 20 50 GGGDHM CCOCc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1OC ZINC000825605215 608214469 /nfs/dbraw/zinc/21/44/69/608214469.db2.gz RRQHAEAYVHMEOH-MFOYZWKCSA-N -1 3 389.415 3.202 20 50 GGGDHM N#CC(=Cc1cc2c(c(Cl)c1)OCO2)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379098 608217352 /nfs/dbraw/zinc/21/73/52/608217352.db2.gz JALKRBAXPGNLRH-PQMHYQBVSA-N -1 3 379.763 3.039 20 50 GGGDHM N#CC(=Cc1cc2c(c(Cl)c1)OCO2)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379098 608217353 /nfs/dbraw/zinc/21/73/53/608217353.db2.gz JALKRBAXPGNLRH-PQMHYQBVSA-N -1 3 379.763 3.039 20 50 GGGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)cc1Br ZINC000826259738 608546604 /nfs/dbraw/zinc/54/66/04/608546604.db2.gz CQJUPAFROLERAW-UHFFFAOYSA-N -1 3 387.241 3.003 20 50 GGGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)cc1Br ZINC000826259738 608546605 /nfs/dbraw/zinc/54/66/05/608546605.db2.gz CQJUPAFROLERAW-UHFFFAOYSA-N -1 3 387.241 3.003 20 50 GGGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc(-c2nn[n-]n2)n1C ZINC000826235252 608560779 /nfs/dbraw/zinc/56/07/79/608560779.db2.gz GEKKCGLSDAJNEH-YBEGLDIGSA-N -1 3 398.430 3.054 20 50 GGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1N1CCCCC1 ZINC000826448356 608802924 /nfs/dbraw/zinc/80/29/24/608802924.db2.gz RTAKHDFHDZEHMS-UHFFFAOYSA-N -1 3 378.440 3.006 20 50 GGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1N1CCCCC1 ZINC000826448356 608802925 /nfs/dbraw/zinc/80/29/25/608802925.db2.gz RTAKHDFHDZEHMS-UHFFFAOYSA-N -1 3 378.440 3.006 20 50 GGGDHM Cn1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359721 609303234 /nfs/dbraw/zinc/30/32/34/609303234.db2.gz OXYWPVZMOUPTSA-GDNBJRDFSA-N -1 3 393.414 3.208 20 50 GGGDHM Cn1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359721 609303236 /nfs/dbraw/zinc/30/32/36/609303236.db2.gz OXYWPVZMOUPTSA-GDNBJRDFSA-N -1 3 393.414 3.208 20 50 GGGDHM Cn1cc(C=C(C#N)C(=O)C2CCCCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359792 609303421 /nfs/dbraw/zinc/30/34/21/609303421.db2.gz QKCOIWVISIJCHT-GZTJUZNOSA-N -1 3 387.447 3.324 20 50 GGGDHM Cn1cc(C=C(C#N)C(=O)C2CCCCC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359792 609303423 /nfs/dbraw/zinc/30/34/23/609303423.db2.gz QKCOIWVISIJCHT-GZTJUZNOSA-N -1 3 387.447 3.324 20 50 GGGDHM