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(NNc1cccc(-c2nnn[n-]2)c1)c1cc2cccc(Cl)c2o1 ZINC000826448828 607728911 /nfs/dbraw/zinc/72/89/11/607728911.db2.gz NQVUJKFXKAVDJJ-UHFFFAOYSA-N -1 3 354.757 3.023 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2cccc(Cl)c2o1 ZINC000826448828 607728913 /nfs/dbraw/zinc/72/89/13/607728913.db2.gz NQVUJKFXKAVDJJ-UHFFFAOYSA-N -1 3 354.757 3.023 20 50 FGGDHM O=C(NNc1cc(Cl)ccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823281352 606437794 /nfs/dbraw/zinc/43/77/94/606437794.db2.gz RATSPXAMSWZNGK-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1cc(Cl)ccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823281352 606437795 /nfs/dbraw/zinc/43/77/95/606437795.db2.gz RATSPXAMSWZNGK-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccnc(-c2ccccc2)c1 ZINC000826448312 608819028 /nfs/dbraw/zinc/81/90/28/608819028.db2.gz QNDSOOZRJXSZRY-UHFFFAOYSA-N -1 3 372.392 3.077 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccnc(-c2ccccc2)c1 ZINC000826448312 608819031 /nfs/dbraw/zinc/81/90/31/608819031.db2.gz QNDSOOZRJXSZRY-UHFFFAOYSA-N -1 3 372.392 3.077 20 50 FGGDHM O=C(NNc1c(Cl)cccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823281424 606869287 /nfs/dbraw/zinc/86/92/87/606869287.db2.gz SAFSGQNHNYRTGJ-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1c(Cl)cccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823281424 606869289 /nfs/dbraw/zinc/86/92/89/606869289.db2.gz SAFSGQNHNYRTGJ-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM CC(=Cc1ccc(Cl)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823942716 607995338 /nfs/dbraw/zinc/99/53/38/607995338.db2.gz HNHILUBDAOYVMB-ZHACJKMWSA-N -1 3 354.801 3.067 20 50 FGGDHM CC[C@H](C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000825038544 609277837 /nfs/dbraw/zinc/27/78/37/609277837.db2.gz FHXZVEBWBNGYTC-HNNXBMFYSA-N -1 3 366.400 3.040 20 50 FGGDHM CC[C@H](C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000825038544 609277838 /nfs/dbraw/zinc/27/78/38/609277838.db2.gz FHXZVEBWBNGYTC-HNNXBMFYSA-N -1 3 366.400 3.040 20 50 FGGDHM O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444385 609517950 /nfs/dbraw/zinc/51/79/50/609517950.db2.gz DICIYFPSBBVTDE-UHFFFAOYSA-N -1 3 374.360 3.016 20 50 FGGDHM O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444385 609517951 /nfs/dbraw/zinc/51/79/51/609517951.db2.gz DICIYFPSBBVTDE-UHFFFAOYSA-N -1 3 374.360 3.016 20 50 FGGDHM CC(C)c1ccc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347791 607353292 /nfs/dbraw/zinc/35/32/92/607353292.db2.gz NVPMYJYKKNZVTM-UHFFFAOYSA-N -1 3 350.426 3.066 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1Nc1ccccc1 ZINC000826448885 607712680 /nfs/dbraw/zinc/71/26/80/607712680.db2.gz QMIPMRYIUCCCED-UHFFFAOYSA-N -1 3 371.404 3.367 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1Nc1ccccc1 ZINC000826448885 607712681 /nfs/dbraw/zinc/71/26/81/607712681.db2.gz QMIPMRYIUCCCED-UHFFFAOYSA-N -1 3 371.404 3.367 20 50 FGGDHM Cc1nc(C2CCCC2)sc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826324414 607730043 /nfs/dbraw/zinc/73/00/43/607730043.db2.gz PWMDAVOOUIQTIM-UHFFFAOYSA-N -1 3 369.454 3.046 20 50 FGGDHM Cc1nc(C2CCCC2)sc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826324414 607730046 /nfs/dbraw/zinc/73/00/46/607730046.db2.gz PWMDAVOOUIQTIM-UHFFFAOYSA-N -1 3 369.454 3.046 20 50 FGGDHM O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000823454782 606856116 /nfs/dbraw/zinc/85/61/16/606856116.db2.gz UHUKPPCMAXCIHU-UHFFFAOYSA-N -1 3 361.317 3.147 20 50 FGGDHM O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000823454782 606856117 /nfs/dbraw/zinc/85/61/17/606856117.db2.gz UHUKPPCMAXCIHU-UHFFFAOYSA-N -1 3 361.317 3.147 20 50 FGGDHM CCC(CC)[C@@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825096478 608074463 /nfs/dbraw/zinc/07/44/63/608074463.db2.gz OIEGDZHRBRBSPB-SECBINFHSA-N -1 3 370.379 3.401 20 50 FGGDHM CCC(CC)[C@@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825096478 608074464 /nfs/dbraw/zinc/07/44/64/608074464.db2.gz OIEGDZHRBRBSPB-SECBINFHSA-N -1 3 370.379 3.401 20 50 FGGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379245 608288769 /nfs/dbraw/zinc/28/87/69/608288769.db2.gz NBGMDXWHNYSWON-NTUHNPAUSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379245 608288770 /nfs/dbraw/zinc/28/87/70/608288770.db2.gz NBGMDXWHNYSWON-NTUHNPAUSA-N -1 3 353.744 3.449 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C(c1ccccc1)c1ccccc1 ZINC000826446704 607353558 /nfs/dbraw/zinc/35/35/58/607353558.db2.gz VIDFCJBLPAMREB-UHFFFAOYSA-N -1 3 370.416 3.142 20 50 FGGDHM N#CC(=Cc1cc(Cl)ccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379256 608215545 /nfs/dbraw/zinc/21/55/45/608215545.db2.gz NHBHGEXRQAMSGZ-NTUHNPAUSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1cc(Cl)ccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379256 608215546 /nfs/dbraw/zinc/21/55/46/608215546.db2.gz NHBHGEXRQAMSGZ-NTUHNPAUSA-N -1 3 353.744 3.449 20 50 FGGDHM COc1cccc2cc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)oc21 ZINC000826218237 608216666 /nfs/dbraw/zinc/21/66/66/608216666.db2.gz VAUIEYLTXDTBMA-XNTDXEJSSA-N -1 3 371.356 3.411 20 50 FGGDHM COc1cccc2cc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)oc21 ZINC000826218237 608216670 /nfs/dbraw/zinc/21/66/70/608216670.db2.gz VAUIEYLTXDTBMA-XNTDXEJSSA-N -1 3 371.356 3.411 20 50 FGGDHM CCOc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000825643506 608806330 /nfs/dbraw/zinc/80/63/30/608806330.db2.gz OXMXTVBKRORLGT-UHFFFAOYSA-N -1 3 373.804 3.067 20 50 FGGDHM CCOc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000825643506 608806332 /nfs/dbraw/zinc/80/63/32/608806332.db2.gz OXMXTVBKRORLGT-UHFFFAOYSA-N -1 3 373.804 3.067 20 50 FGGDHM Cc1ccc(-c2noc(C(C#N)=Cc3ccc(F)c(-c4nnn[n-]4)c3)n2)cc1 ZINC000826280477 608876793 /nfs/dbraw/zinc/87/67/93/608876793.db2.gz CYKZMPMJTLVGKB-RIYZIHGNSA-N -1 3 373.351 3.428 20 50 FGGDHM Cc1ccc(-c2noc(C(C#N)=Cc3ccc(F)c(-c4nn[n-]n4)c3)n2)cc1 ZINC000826280477 608876794 /nfs/dbraw/zinc/87/67/94/608876794.db2.gz CYKZMPMJTLVGKB-RIYZIHGNSA-N -1 3 373.351 3.428 20 50 FGGDHM CC(C)[C@@H](Sc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824207365 607336701 /nfs/dbraw/zinc/33/67/01/607336701.db2.gz VFSOAJNKPZNJJX-MRXNPFEDSA-N -1 3 368.466 3.127 20 50 FGGDHM CC(C)[C@@H](Sc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824207365 607336704 /nfs/dbraw/zinc/33/67/04/607336704.db2.gz VFSOAJNKPZNJJX-MRXNPFEDSA-N -1 3 368.466 3.127 20 50 FGGDHM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000823944111 607340147 /nfs/dbraw/zinc/34/01/47/607340147.db2.gz XUCLHNDNUHVWAW-KHPPLWFESA-N -1 3 354.801 3.067 20 50 FGGDHM CC(C)[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824192348 607342647 /nfs/dbraw/zinc/34/26/47/607342647.db2.gz IXCJOILYFZADHS-KRWDZBQOSA-N -1 3 350.426 3.140 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826448335 607718505 /nfs/dbraw/zinc/71/85/05/607718505.db2.gz QZQKJUMTIXNADL-OALUTQOASA-N -1 3 370.416 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826448335 607718507 /nfs/dbraw/zinc/71/85/07/607718507.db2.gz QZQKJUMTIXNADL-OALUTQOASA-N -1 3 370.416 3.267 20 50 FGGDHM C[C@@H]1CC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824919310 607782269 /nfs/dbraw/zinc/78/22/69/607782269.db2.gz TVMAMARYWVWNIT-PXAZEXFGSA-N -1 3 363.425 3.131 20 50 FGGDHM C[C@@H]1CC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824919310 607782270 /nfs/dbraw/zinc/78/22/70/607782270.db2.gz TVMAMARYWVWNIT-PXAZEXFGSA-N -1 3 363.425 3.131 20 50 FGGDHM Cn1ccc(C=C(C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000826362792 608109592 /nfs/dbraw/zinc/10/95/92/608109592.db2.gz IOJVUZYEINXMBT-OVCLIPMQSA-N -1 3 359.418 3.393 20 50 FGGDHM Cn1ccc(C=C(C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000826362792 608109593 /nfs/dbraw/zinc/10/95/93/608109593.db2.gz IOJVUZYEINXMBT-OVCLIPMQSA-N -1 3 359.418 3.393 20 50 FGGDHM Cn1ccc(C=C(C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000826362791 608109618 /nfs/dbraw/zinc/10/96/18/608109618.db2.gz IOJVUZYEINXMBT-NVNXTCNLSA-N -1 3 359.418 3.393 20 50 FGGDHM Cn1ccc(C=C(C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000826362791 608109619 /nfs/dbraw/zinc/10/96/19/608109619.db2.gz IOJVUZYEINXMBT-NVNXTCNLSA-N -1 3 359.418 3.393 20 50 FGGDHM CC(C)Oc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333848 608216207 /nfs/dbraw/zinc/21/62/07/608216207.db2.gz OAILOHFMNSIJPY-RQZCQDPDSA-N -1 3 359.389 3.444 20 50 FGGDHM CC(C)Oc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824333848 608216208 /nfs/dbraw/zinc/21/62/08/608216208.db2.gz OAILOHFMNSIJPY-RQZCQDPDSA-N -1 3 359.389 3.444 20 50 FGGDHM N#CC(=Cc1coc(-c2ccccc2)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379675 608217746 /nfs/dbraw/zinc/21/77/46/608217746.db2.gz YMMKWFHRLKPYMP-YBEGLDIGSA-N -1 3 368.356 3.312 20 50 FGGDHM N#CC(=Cc1coc(-c2ccccc2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379675 608217748 /nfs/dbraw/zinc/21/77/48/608217748.db2.gz YMMKWFHRLKPYMP-YBEGLDIGSA-N -1 3 368.356 3.312 20 50 FGGDHM COc1ccc(Cl)cc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826208462 608218196 /nfs/dbraw/zinc/21/81/96/608218196.db2.gz LOGJCVYUKBRWCO-RIYZIHGNSA-N -1 3 365.780 3.319 20 50 FGGDHM COc1ccc(Cl)cc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826208462 608218197 /nfs/dbraw/zinc/21/81/97/608218197.db2.gz LOGJCVYUKBRWCO-RIYZIHGNSA-N -1 3 365.780 3.319 20 50 FGGDHM CCCCOc1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825296822 608808212 /nfs/dbraw/zinc/80/82/12/608808212.db2.gz WJEQETUPOCJJMC-UHFFFAOYSA-N -1 3 367.413 3.194 20 50 FGGDHM CCCCOc1ccccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825296822 608808213 /nfs/dbraw/zinc/80/82/13/608808213.db2.gz WJEQETUPOCJJMC-UHFFFAOYSA-N -1 3 367.413 3.194 20 50 FGGDHM CCCCOc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825296384 608808242 /nfs/dbraw/zinc/80/82/42/608808242.db2.gz GUEHBYCNRYKGPK-UHFFFAOYSA-N -1 3 367.413 3.194 20 50 FGGDHM CCCCOc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825296384 608808245 /nfs/dbraw/zinc/80/82/45/608808245.db2.gz GUEHBYCNRYKGPK-UHFFFAOYSA-N -1 3 367.413 3.194 20 50 FGGDHM CC[C@H](C)[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825050403 607335419 /nfs/dbraw/zinc/33/54/19/607335419.db2.gz ISAHJBZSVIBPHL-SUMWQHHRSA-N -1 3 350.426 3.140 20 50 FGGDHM CC[C@H](C)[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825050403 607335420 /nfs/dbraw/zinc/33/54/20/607335420.db2.gz ISAHJBZSVIBPHL-SUMWQHHRSA-N -1 3 350.426 3.140 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000826447133 607347440 /nfs/dbraw/zinc/34/74/40/607347440.db2.gz OTLMXIVXJNDMIL-UHFFFAOYSA-N -1 3 372.388 3.416 20 50 FGGDHM CC(C)Cc1ccc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280809 607755799 /nfs/dbraw/zinc/75/57/99/607755799.db2.gz VCAMOSCMNPXAMM-UHFFFAOYSA-N -1 3 364.453 3.141 20 50 FGGDHM CCn1nccc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825807013 607807171 /nfs/dbraw/zinc/80/71/71/607807171.db2.gz LYNWUJZKMUZMKI-NTEUORMPSA-N -1 3 374.433 3.271 20 50 FGGDHM CCn1nccc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825807013 607807172 /nfs/dbraw/zinc/80/71/72/607807172.db2.gz LYNWUJZKMUZMKI-NTEUORMPSA-N -1 3 374.433 3.271 20 50 FGGDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1ccccc1Cl ZINC000825626045 608808205 /nfs/dbraw/zinc/80/82/05/608808205.db2.gz GIUUKMHWZLQNEQ-UHFFFAOYSA-N -1 3 373.804 3.067 20 50 FGGDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1ccccc1Cl ZINC000825626045 608808207 /nfs/dbraw/zinc/80/82/07/608808207.db2.gz GIUUKMHWZLQNEQ-UHFFFAOYSA-N -1 3 373.804 3.067 20 50 FGGDHM Cc1ccc(SCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826292893 607355017 /nfs/dbraw/zinc/35/50/17/607355017.db2.gz RAEDFZUSFKMSLE-UHFFFAOYSA-N -1 3 368.466 3.109 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000826446761 607673251 /nfs/dbraw/zinc/67/32/51/607673251.db2.gz XGGCIHYLCZNBCJ-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM C[C@@H](Sc1ccccc1Cl)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824762294 607722663 /nfs/dbraw/zinc/72/26/63/607722663.db2.gz FPGGVOMWGVGYNT-SNVBAGLBSA-N -1 3 374.857 3.144 20 50 FGGDHM C[C@@H](Sc1ccccc1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824762294 607722665 /nfs/dbraw/zinc/72/26/65/607722665.db2.gz FPGGVOMWGVGYNT-SNVBAGLBSA-N -1 3 374.857 3.144 20 50 FGGDHM N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379598 608215849 /nfs/dbraw/zinc/21/58/49/608215849.db2.gz WMUKTCZAYILWJG-ZSOIEALJSA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379598 608215850 /nfs/dbraw/zinc/21/58/50/608215850.db2.gz WMUKTCZAYILWJG-ZSOIEALJSA-N -1 3 367.315 3.258 20 50 FGGDHM CC1(C)CC[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000824797191 609416407 /nfs/dbraw/zinc/41/64/07/609416407.db2.gz WYNQTQOHTSWKIO-VIFPVBQESA-N -1 3 368.363 3.155 20 50 FGGDHM CC1(C)CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000824797191 609416409 /nfs/dbraw/zinc/41/64/09/609416409.db2.gz WYNQTQOHTSWKIO-VIFPVBQESA-N -1 3 368.363 3.155 20 50 FGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826191097 608214895 /nfs/dbraw/zinc/21/48/95/608214895.db2.gz XBOBTQQOEVLYBP-AUWJEWJLSA-N -1 3 365.780 3.319 20 50 FGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826191097 608214896 /nfs/dbraw/zinc/21/48/96/608214896.db2.gz XBOBTQQOEVLYBP-AUWJEWJLSA-N -1 3 365.780 3.319 20 50 FGGDHM N#CC(=Cc1cccc(Cl)c1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379549 608215968 /nfs/dbraw/zinc/21/59/68/608215968.db2.gz VFIJZPDMQCROJP-QPEQYQDCSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1cccc(Cl)c1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379549 608215969 /nfs/dbraw/zinc/21/59/69/608215969.db2.gz VFIJZPDMQCROJP-QPEQYQDCSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379679 608288774 /nfs/dbraw/zinc/28/87/74/608288774.db2.gz YOOHHZAVHMXANN-QPEQYQDCSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379679 608288776 /nfs/dbraw/zinc/28/87/76/608288776.db2.gz YOOHHZAVHMXANN-QPEQYQDCSA-N -1 3 353.744 3.449 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Cl)c1Cl ZINC000826447992 608803580 /nfs/dbraw/zinc/80/35/80/608803580.db2.gz DERAAAREQXROOR-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Cl)c1Cl ZINC000826447992 608803581 /nfs/dbraw/zinc/80/35/81/608803581.db2.gz DERAAAREQXROOR-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM CC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825051462 609161144 /nfs/dbraw/zinc/16/11/44/609161144.db2.gz PZCLKGZVBSEZEE-RKDXNWHRSA-N -1 3 356.352 3.011 20 50 FGGDHM CC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825051462 609161145 /nfs/dbraw/zinc/16/11/45/609161145.db2.gz PZCLKGZVBSEZEE-RKDXNWHRSA-N -1 3 356.352 3.011 20 50 FGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000826446522 609498043 /nfs/dbraw/zinc/49/80/43/609498043.db2.gz OUZXQYWGBQPHAD-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000826446522 609498045 /nfs/dbraw/zinc/49/80/45/609498045.db2.gz OUZXQYWGBQPHAD-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826285542 607405727 /nfs/dbraw/zinc/40/57/27/607405727.db2.gz CEAZHSRZTUBGPA-ZDLGFXPLSA-N -1 3 359.389 3.134 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826285542 607405730 /nfs/dbraw/zinc/40/57/30/607405730.db2.gz CEAZHSRZTUBGPA-ZDLGFXPLSA-N -1 3 359.389 3.134 20 50 FGGDHM CC(C)[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824193141 607716693 /nfs/dbraw/zinc/71/66/93/607716693.db2.gz SYFDSNOYAVOUHO-KRWDZBQOSA-N -1 3 350.426 3.140 20 50 FGGDHM CC(C)[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824193141 607716695 /nfs/dbraw/zinc/71/66/95/607716695.db2.gz SYFDSNOYAVOUHO-KRWDZBQOSA-N -1 3 350.426 3.140 20 50 FGGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)sc2cccc(F)c12 ZINC000826234626 607717240 /nfs/dbraw/zinc/71/72/40/607717240.db2.gz GVEDGKHGJSYYFY-UHFFFAOYSA-N -1 3 368.397 3.286 20 50 FGGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)sc2cccc(F)c12 ZINC000826234626 607717242 /nfs/dbraw/zinc/71/72/42/607717242.db2.gz GVEDGKHGJSYYFY-UHFFFAOYSA-N -1 3 368.397 3.286 20 50 FGGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3ccccc3-c3nnn[n-]3)c[nH]c2c1 ZINC000826293631 607884791 /nfs/dbraw/zinc/88/47/91/607884791.db2.gz WOYYPHBCBGIDBZ-ZROIWOOFSA-N -1 3 354.373 3.446 20 50 FGGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3ccccc3-c3nn[n-]n3)c[nH]c2c1 ZINC000826293631 607884792 /nfs/dbraw/zinc/88/47/92/607884792.db2.gz WOYYPHBCBGIDBZ-ZROIWOOFSA-N -1 3 354.373 3.446 20 50 FGGDHM N#CC(=Cc1ccccc1OC(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378899 608217157 /nfs/dbraw/zinc/21/71/57/608217157.db2.gz DBDWSSAGRHSIBW-ZSOIEALJSA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1ccccc1OC(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378899 608217159 /nfs/dbraw/zinc/21/71/59/608217159.db2.gz DBDWSSAGRHSIBW-ZSOIEALJSA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000826378895 608875145 /nfs/dbraw/zinc/87/51/45/608875145.db2.gz DAKUZJXNHXGHCO-YRNVUSSQSA-N -1 3 368.759 3.205 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000826378895 608875149 /nfs/dbraw/zinc/87/51/49/608875149.db2.gz DAKUZJXNHXGHCO-YRNVUSSQSA-N -1 3 368.759 3.205 20 50 FGGDHM CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824324423 607347373 /nfs/dbraw/zinc/34/73/73/607347373.db2.gz NYPGYIMXICUDBU-UHFFFAOYSA-N -1 3 372.816 3.064 20 50 FGGDHM O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826447566 607554064 /nfs/dbraw/zinc/55/40/64/607554064.db2.gz LNZDTZIEPUUHKL-UHFFFAOYSA-N -1 3 363.303 3.034 20 50 FGGDHM O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826447566 607554066 /nfs/dbraw/zinc/55/40/66/607554066.db2.gz LNZDTZIEPUUHKL-UHFFFAOYSA-N -1 3 363.303 3.034 20 50 FGGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000826237081 607883240 /nfs/dbraw/zinc/88/32/40/607883240.db2.gz NMEAAFIHIPQMMY-LCYFTJDESA-N -1 3 364.796 3.374 20 50 FGGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000826237081 607883241 /nfs/dbraw/zinc/88/32/41/607883241.db2.gz NMEAAFIHIPQMMY-LCYFTJDESA-N -1 3 364.796 3.374 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1Cl ZINC000826378789 607883639 /nfs/dbraw/zinc/88/36/39/607883639.db2.gz AKGWIJRIDPPGHP-FMIVXFBMSA-N -1 3 350.769 3.066 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1Cl ZINC000826378789 607883640 /nfs/dbraw/zinc/88/36/40/607883640.db2.gz AKGWIJRIDPPGHP-FMIVXFBMSA-N -1 3 350.769 3.066 20 50 FGGDHM CC(=Cc1ccccc1Cl)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823943778 607908894 /nfs/dbraw/zinc/90/88/94/607908894.db2.gz STRRLJLRYMZKPM-KHPPLWFESA-N -1 3 354.801 3.067 20 50 FGGDHM CC(C)Cc1ccc([C@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280569 608074376 /nfs/dbraw/zinc/07/43/76/608074376.db2.gz OXDPLOBXTWSZSP-AWEZNQCLSA-N -1 3 364.453 3.312 20 50 FGGDHM C=CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823932453 608214091 /nfs/dbraw/zinc/21/40/91/608214091.db2.gz ZINHOSWKAXKTNE-GZTJUZNOSA-N -1 3 357.373 3.221 20 50 FGGDHM C=CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823932453 608214094 /nfs/dbraw/zinc/21/40/94/608214094.db2.gz ZINHOSWKAXKTNE-GZTJUZNOSA-N -1 3 357.373 3.221 20 50 FGGDHM COc1c(C)cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826166812 608214812 /nfs/dbraw/zinc/21/48/12/608214812.db2.gz BXOKVCSACGDHIN-RQZCQDPDSA-N -1 3 359.389 3.282 20 50 FGGDHM COc1c(C)cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826166812 608214813 /nfs/dbraw/zinc/21/48/13/608214813.db2.gz BXOKVCSACGDHIN-RQZCQDPDSA-N -1 3 359.389 3.282 20 50 FGGDHM N#CC(=Cc1ccccc1OC(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378898 608216897 /nfs/dbraw/zinc/21/68/97/608216897.db2.gz DBDWSSAGRHSIBW-RIYZIHGNSA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1ccccc1OC(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378898 608216898 /nfs/dbraw/zinc/21/68/98/608216898.db2.gz DBDWSSAGRHSIBW-RIYZIHGNSA-N -1 3 367.315 3.258 20 50 FGGDHM CCCOc1cc(C)ccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825338756 608806217 /nfs/dbraw/zinc/80/62/17/608806217.db2.gz HGMZUHRNBGGJLH-UHFFFAOYSA-N -1 3 367.413 3.113 20 50 FGGDHM CCCOc1cc(C)ccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825338756 608806219 /nfs/dbraw/zinc/80/62/19/608806219.db2.gz HGMZUHRNBGGJLH-UHFFFAOYSA-N -1 3 367.413 3.113 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1sc2ccccc2c1Cl ZINC000826449571 607336832 /nfs/dbraw/zinc/33/68/32/607336832.db2.gz ZDWFIIRDONJWNJ-UHFFFAOYSA-N -1 3 370.825 3.492 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1sc2ccccc2c1Cl ZINC000826449571 607336833 /nfs/dbraw/zinc/33/68/33/607336833.db2.gz ZDWFIIRDONJWNJ-UHFFFAOYSA-N -1 3 370.825 3.492 20 50 FGGDHM O=C(CCc1ccc(-c2ccccc2)o1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826407982 607343495 /nfs/dbraw/zinc/34/34/95/607343495.db2.gz LESUKVURTCBEOK-UHFFFAOYSA-N -1 3 374.404 3.203 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(C2CC2)nc2ccccc21 ZINC000826447180 607347682 /nfs/dbraw/zinc/34/76/82/607347682.db2.gz RPRTXPREAQCPFK-UHFFFAOYSA-N -1 3 371.404 3.049 20 50 FGGDHM Cc1c2cc(F)ccc2sc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826234655 607715058 /nfs/dbraw/zinc/71/50/58/607715058.db2.gz HTYFHEPSPNWUAW-UHFFFAOYSA-N -1 3 368.397 3.286 20 50 FGGDHM Cc1c2cc(F)ccc2sc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826234655 607715060 /nfs/dbraw/zinc/71/50/60/607715060.db2.gz HTYFHEPSPNWUAW-UHFFFAOYSA-N -1 3 368.397 3.286 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1CCC(c2ccccc2)CC1 ZINC000826448485 607720015 /nfs/dbraw/zinc/72/00/15/607720015.db2.gz XSPYJBUQMLCJPF-UHFFFAOYSA-N -1 3 362.437 3.284 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1CCC(c2ccccc2)CC1 ZINC000826448485 607720017 /nfs/dbraw/zinc/72/00/17/607720017.db2.gz XSPYJBUQMLCJPF-UHFFFAOYSA-N -1 3 362.437 3.284 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1Oc1ccccc1 ZINC000826448576 607720283 /nfs/dbraw/zinc/72/02/83/607720283.db2.gz AYFXLPPQWPJVKN-UHFFFAOYSA-N -1 3 372.388 3.416 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1Oc1ccccc1 ZINC000826448576 607720285 /nfs/dbraw/zinc/72/02/85/607720285.db2.gz AYFXLPPQWPJVKN-UHFFFAOYSA-N -1 3 372.388 3.416 20 50 FGGDHM O=C(CCCC[C@H]1CCSS1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406248 607724531 /nfs/dbraw/zinc/72/45/31/607724531.db2.gz OASDAKYZWNRVRU-ZDUSSCGKSA-N -1 3 364.500 3.024 20 50 FGGDHM O=C(CCCC[C@H]1CCSS1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406248 607724532 /nfs/dbraw/zinc/72/45/32/607724532.db2.gz OASDAKYZWNRVRU-ZDUSSCGKSA-N -1 3 364.500 3.024 20 50 FGGDHM C=CCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823932053 608214267 /nfs/dbraw/zinc/21/42/67/608214267.db2.gz MAQGYBWSRFKRGR-GZTJUZNOSA-N -1 3 357.373 3.221 20 50 FGGDHM C=CCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823932053 608214268 /nfs/dbraw/zinc/21/42/68/608214268.db2.gz MAQGYBWSRFKRGR-GZTJUZNOSA-N -1 3 357.373 3.221 20 50 FGGDHM CC[C@H](C)[C@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825051461 609161092 /nfs/dbraw/zinc/16/10/92/609161092.db2.gz PZCLKGZVBSEZEE-IUCAKERBSA-N -1 3 356.352 3.011 20 50 FGGDHM CC[C@H](C)[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825051461 609161094 /nfs/dbraw/zinc/16/10/94/609161094.db2.gz PZCLKGZVBSEZEE-IUCAKERBSA-N -1 3 356.352 3.011 20 50 FGGDHM CC[C@@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825081859 607341710 /nfs/dbraw/zinc/34/17/10/607341710.db2.gz NXXAXDZXGVCNLM-AWEZNQCLSA-N -1 3 350.426 3.202 20 50 FGGDHM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000823944116 607356126 /nfs/dbraw/zinc/35/61/26/607356126.db2.gz XUWXAXOVILBYGX-PKNBQFBNSA-N -1 3 354.801 3.067 20 50 FGGDHM CCC(CC)(C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825089609 607720811 /nfs/dbraw/zinc/72/08/11/607720811.db2.gz JEACMGDZZLMQOP-UHFFFAOYSA-N -1 3 350.426 3.068 20 50 FGGDHM CCC(CC)(C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825089609 607720813 /nfs/dbraw/zinc/72/08/13/607720813.db2.gz JEACMGDZZLMQOP-UHFFFAOYSA-N -1 3 350.426 3.068 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000826449031 607723340 /nfs/dbraw/zinc/72/33/40/607723340.db2.gz YKZFOGAATKMMOS-UHFFFAOYSA-N -1 3 372.388 3.416 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000826449031 607723342 /nfs/dbraw/zinc/72/33/42/607723342.db2.gz YKZFOGAATKMMOS-UHFFFAOYSA-N -1 3 372.388 3.416 20 50 FGGDHM CC(C)Oc1ccc(Cl)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824324178 607723528 /nfs/dbraw/zinc/72/35/28/607723528.db2.gz JDXNKIXKKJDPDM-UHFFFAOYSA-N -1 3 372.816 3.064 20 50 FGGDHM CC(C)Oc1ccc(Cl)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824324178 607723529 /nfs/dbraw/zinc/72/35/29/607723529.db2.gz JDXNKIXKKJDPDM-UHFFFAOYSA-N -1 3 372.816 3.064 20 50 FGGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000826233796 607883249 /nfs/dbraw/zinc/88/32/49/607883249.db2.gz WFNHDHBMMGKNSV-UVTDQMKNSA-N -1 3 354.373 3.446 20 50 FGGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000826233796 607883250 /nfs/dbraw/zinc/88/32/50/607883250.db2.gz WFNHDHBMMGKNSV-UVTDQMKNSA-N -1 3 354.373 3.446 20 50 FGGDHM N#CC(=Cc1cc(F)c(F)cc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378841 608215609 /nfs/dbraw/zinc/21/56/09/608215609.db2.gz BNGKLZJWSXTBGQ-LFYBBSHMSA-N -1 3 355.279 3.074 20 50 FGGDHM N#CC(=Cc1cc(F)c(F)cc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378841 608215611 /nfs/dbraw/zinc/21/56/11/608215611.db2.gz BNGKLZJWSXTBGQ-LFYBBSHMSA-N -1 3 355.279 3.074 20 50 FGGDHM CC(C)Oc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824324110 608215998 /nfs/dbraw/zinc/21/59/98/608215998.db2.gz GWHQQPKMLKJIAC-YVLHZVERSA-N -1 3 359.389 3.444 20 50 FGGDHM CC(C)Oc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824324110 608215999 /nfs/dbraw/zinc/21/59/99/608215999.db2.gz GWHQQPKMLKJIAC-YVLHZVERSA-N -1 3 359.389 3.444 20 50 FGGDHM N#CC(=Cc1ccc(Cl)c(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379004 608217259 /nfs/dbraw/zinc/21/72/59/608217259.db2.gz GXOWZAQFODZEPO-MLPAPPSSSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(Cl)c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379004 608217261 /nfs/dbraw/zinc/21/72/61/608217261.db2.gz GXOWZAQFODZEPO-MLPAPPSSSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1cncc2ccccc12)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379479 608219245 /nfs/dbraw/zinc/21/92/45/608219245.db2.gz SOTGRHUNARBYJQ-SXGWCWSVSA-N -1 3 352.357 3.205 20 50 FGGDHM N#CC(=Cc1cncc2ccccc12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379479 608219246 /nfs/dbraw/zinc/21/92/46/608219246.db2.gz SOTGRHUNARBYJQ-SXGWCWSVSA-N -1 3 352.357 3.205 20 50 FGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccccc1Cl ZINC000826446414 609497793 /nfs/dbraw/zinc/49/77/93/609497793.db2.gz KJUKNVRQGZJQAV-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccccc1Cl ZINC000826446414 609497796 /nfs/dbraw/zinc/49/77/96/609497796.db2.gz KJUKNVRQGZJQAV-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000826446242 607344737 /nfs/dbraw/zinc/34/47/37/607344737.db2.gz FDTUSCGIUKKDJZ-MOPGFXCFSA-N -1 3 370.416 3.267 20 50 FGGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1c(Cl)cccc1Cl ZINC000826249561 607709386 /nfs/dbraw/zinc/70/93/86/607709386.db2.gz JBXGJBVCZMDWQS-UHFFFAOYSA-N -1 3 363.208 3.239 20 50 FGGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1c(Cl)cccc1Cl ZINC000826249561 607709388 /nfs/dbraw/zinc/70/93/88/607709388.db2.gz JBXGJBVCZMDWQS-UHFFFAOYSA-N -1 3 363.208 3.239 20 50 FGGDHM O=C(CCSc1ccc(Cl)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408175 607731990 /nfs/dbraw/zinc/73/19/90/607731990.db2.gz SOJPXPWKRJGOCJ-UHFFFAOYSA-N -1 3 374.857 3.146 20 50 FGGDHM O=C(CCSc1ccc(Cl)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408175 607731992 /nfs/dbraw/zinc/73/19/92/607731992.db2.gz SOJPXPWKRJGOCJ-UHFFFAOYSA-N -1 3 374.857 3.146 20 50 FGGDHM CCc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825712124 607915370 /nfs/dbraw/zinc/91/53/70/607915370.db2.gz KPUIVVASRYHROH-NTEUORMPSA-N -1 3 362.368 3.114 20 50 FGGDHM CCc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825712124 607915371 /nfs/dbraw/zinc/91/53/71/607915371.db2.gz KPUIVVASRYHROH-NTEUORMPSA-N -1 3 362.368 3.114 20 50 FGGDHM CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948439 608094352 /nfs/dbraw/zinc/09/43/52/608094352.db2.gz MSYVQWHSVNIPAY-UHFFFAOYSA-N -1 3 362.418 3.235 20 50 FGGDHM CCCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825341577 608215786 /nfs/dbraw/zinc/21/57/86/608215786.db2.gz FNKQVPPAPMXPPA-LICLKQGHSA-N -1 3 359.389 3.445 20 50 FGGDHM CCCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825341577 608215787 /nfs/dbraw/zinc/21/57/87/608215787.db2.gz FNKQVPPAPMXPPA-LICLKQGHSA-N -1 3 359.389 3.445 20 50 FGGDHM CC(C)(C)c1ncc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000824142904 608216114 /nfs/dbraw/zinc/21/61/14/608216114.db2.gz ZQMWRWZUKGRIMS-MDWZMJQESA-N -1 3 364.434 3.411 20 50 FGGDHM CC(C)(C)c1ncc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000824142904 608216115 /nfs/dbraw/zinc/21/61/15/608216115.db2.gz ZQMWRWZUKGRIMS-MDWZMJQESA-N -1 3 364.434 3.411 20 50 FGGDHM N#CC(=Cc1c[nH]c(-c2ccccc2)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379067 608217237 /nfs/dbraw/zinc/21/72/37/608217237.db2.gz IIAMROSATPPFJW-MHWRWJLKSA-N -1 3 367.372 3.047 20 50 FGGDHM N#CC(=Cc1c[nH]c(-c2ccccc2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379067 608217238 /nfs/dbraw/zinc/21/72/38/608217238.db2.gz IIAMROSATPPFJW-MHWRWJLKSA-N -1 3 367.372 3.047 20 50 FGGDHM Cc1cc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000826261953 608387235 /nfs/dbraw/zinc/38/72/35/608387235.db2.gz ZQRGBJCUBVFVEN-AUWJEWJLSA-N -1 3 350.313 3.287 20 50 FGGDHM Cc1cc(C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000826261953 608387237 /nfs/dbraw/zinc/38/72/37/608387237.db2.gz ZQRGBJCUBVFVEN-AUWJEWJLSA-N -1 3 350.313 3.287 20 50 FGGDHM CSc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826230662 608518096 /nfs/dbraw/zinc/51/80/96/608518096.db2.gz DQYHRPWXSZPZJL-UHFFFAOYSA-N -1 3 355.427 3.046 20 50 FGGDHM CSc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826230662 608518098 /nfs/dbraw/zinc/51/80/98/608518098.db2.gz DQYHRPWXSZPZJL-UHFFFAOYSA-N -1 3 355.427 3.046 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824137163 609604449 /nfs/dbraw/zinc/60/44/49/609604449.db2.gz XZIIAOMDTMGJJI-UHFFFAOYSA-N -1 3 351.414 3.313 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824137163 609604451 /nfs/dbraw/zinc/60/44/51/609604451.db2.gz XZIIAOMDTMGJJI-UHFFFAOYSA-N -1 3 351.414 3.313 20 50 FGGDHM CC[C@@H](C)[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825050398 607335392 /nfs/dbraw/zinc/33/53/92/607335392.db2.gz ISAHJBZSVIBPHL-DYVFJYSZSA-N -1 3 350.426 3.140 20 50 FGGDHM CC[C@@H](C)[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825050398 607335393 /nfs/dbraw/zinc/33/53/93/607335393.db2.gz ISAHJBZSVIBPHL-DYVFJYSZSA-N -1 3 350.426 3.140 20 50 FGGDHM O=C(NNc1ccccc1F)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826449222 607338621 /nfs/dbraw/zinc/33/86/21/607338621.db2.gz HYPLMLGBHBWPRJ-UHFFFAOYSA-N -1 3 374.379 3.430 20 50 FGGDHM O=C(NNc1ccccc1F)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826449222 607338623 /nfs/dbraw/zinc/33/86/23/607338623.db2.gz HYPLMLGBHBWPRJ-UHFFFAOYSA-N -1 3 374.379 3.430 20 50 FGGDHM CC(C)Sc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824337755 607352060 /nfs/dbraw/zinc/35/20/60/607352060.db2.gz FYGZAATXPKHURH-UHFFFAOYSA-N -1 3 354.439 3.124 20 50 FGGDHM CC(C)[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824193142 607716391 /nfs/dbraw/zinc/71/63/91/607716391.db2.gz SYFDSNOYAVOUHO-QGZVFWFLSA-N -1 3 350.426 3.140 20 50 FGGDHM CC(C)[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824193142 607716393 /nfs/dbraw/zinc/71/63/93/607716393.db2.gz SYFDSNOYAVOUHO-QGZVFWFLSA-N -1 3 350.426 3.140 20 50 FGGDHM CC(C)c1ccc2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000824347991 607717075 /nfs/dbraw/zinc/71/70/75/607717075.db2.gz VPZAIUOTXCFMAY-UHFFFAOYSA-N -1 3 361.409 3.228 20 50 FGGDHM CC(C)c1ccc2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000824347991 607717077 /nfs/dbraw/zinc/71/70/77/607717077.db2.gz VPZAIUOTXCFMAY-UHFFFAOYSA-N -1 3 361.409 3.228 20 50 FGGDHM CC(C)Sc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824337641 607730777 /nfs/dbraw/zinc/73/07/77/607730777.db2.gz FGCUDOQBIVAPEU-UHFFFAOYSA-N -1 3 354.439 3.124 20 50 FGGDHM CC(C)Sc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824337641 607730779 /nfs/dbraw/zinc/73/07/79/607730779.db2.gz FGCUDOQBIVAPEU-UHFFFAOYSA-N -1 3 354.439 3.124 20 50 FGGDHM O=C(NN=CCCc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444499 607888081 /nfs/dbraw/zinc/88/80/81/607888081.db2.gz JKXNFJUKRPKLFL-UHFFFAOYSA-N -1 3 372.791 3.008 20 50 FGGDHM O=C(NN=CCCc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444499 607888082 /nfs/dbraw/zinc/88/80/82/607888082.db2.gz JKXNFJUKRPKLFL-UHFFFAOYSA-N -1 3 372.791 3.008 20 50 FGGDHM CCC(CC)[C@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825096595 608074510 /nfs/dbraw/zinc/07/45/10/608074510.db2.gz OIEGDZHRBRBSPB-VIFPVBQESA-N -1 3 370.379 3.401 20 50 FGGDHM CCC(CC)[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825096595 608074511 /nfs/dbraw/zinc/07/45/11/608074511.db2.gz OIEGDZHRBRBSPB-VIFPVBQESA-N -1 3 370.379 3.401 20 50 FGGDHM CC(C)c1ccc2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)[nH]c2c1 ZINC000824347570 607342948 /nfs/dbraw/zinc/34/29/48/607342948.db2.gz DOGLOTUNVHRVSU-UHFFFAOYSA-N -1 3 361.409 3.228 20 50 FGGDHM CC(C)(C)c1ccc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824136750 607354569 /nfs/dbraw/zinc/35/45/69/607354569.db2.gz VNYFSZFNMHYPHO-AWNIVKPZSA-N -1 3 362.437 3.321 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1C(F)(F)F ZINC000826446145 607672332 /nfs/dbraw/zinc/67/23/32/607672332.db2.gz BIYRCRSFRBEKOZ-UHFFFAOYSA-N -1 3 363.303 3.034 20 50 FGGDHM Cc1ccc(-c2noc(C(C#N)=Cc3ccc(F)c(-c4nnn[n-]4)c3)n2)cc1 ZINC000826280478 608877086 /nfs/dbraw/zinc/87/70/86/608877086.db2.gz CYKZMPMJTLVGKB-ZSOIEALJSA-N -1 3 373.351 3.428 20 50 FGGDHM Cc1ccc(-c2noc(C(C#N)=Cc3ccc(F)c(-c4nn[n-]n4)c3)n2)cc1 ZINC000826280478 608877089 /nfs/dbraw/zinc/87/70/89/608877089.db2.gz CYKZMPMJTLVGKB-ZSOIEALJSA-N -1 3 373.351 3.428 20 50 FGGDHM CC[C@H](C)[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825050400 607335700 /nfs/dbraw/zinc/33/57/00/607335700.db2.gz ISAHJBZSVIBPHL-GUYCJALGSA-N -1 3 350.426 3.140 20 50 FGGDHM CC[C@H](C)[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825050400 607335702 /nfs/dbraw/zinc/33/57/02/607335702.db2.gz ISAHJBZSVIBPHL-GUYCJALGSA-N -1 3 350.426 3.140 20 50 FGGDHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824348080 607341447 /nfs/dbraw/zinc/34/14/47/607341447.db2.gz YTNQZXWGGKONQR-ROUUACIJSA-N -1 3 362.437 3.237 20 50 FGGDHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824753455 607352206 /nfs/dbraw/zinc/35/22/06/607352206.db2.gz DDZXSLSSQUVUPG-SNVBAGLBSA-N -1 3 374.857 3.144 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000826448125 607719765 /nfs/dbraw/zinc/71/97/65/607719765.db2.gz JFESILWHHULODV-OALUTQOASA-N -1 3 370.416 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000826448125 607719766 /nfs/dbraw/zinc/71/97/66/607719766.db2.gz JFESILWHHULODV-OALUTQOASA-N -1 3 370.416 3.267 20 50 FGGDHM C=CCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000823932320 608214319 /nfs/dbraw/zinc/21/43/19/608214319.db2.gz URZDEAMNFWRCMU-YVLHZVERSA-N -1 3 357.373 3.221 20 50 FGGDHM C=CCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000823932320 608214320 /nfs/dbraw/zinc/21/43/20/608214320.db2.gz URZDEAMNFWRCMU-YVLHZVERSA-N -1 3 357.373 3.221 20 50 FGGDHM C=CCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000823932319 608214347 /nfs/dbraw/zinc/21/43/47/608214347.db2.gz URZDEAMNFWRCMU-LICLKQGHSA-N -1 3 357.373 3.221 20 50 FGGDHM C=CCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000823932319 608214348 /nfs/dbraw/zinc/21/43/48/608214348.db2.gz URZDEAMNFWRCMU-LICLKQGHSA-N -1 3 357.373 3.221 20 50 FGGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826445448 608450881 /nfs/dbraw/zinc/45/08/81/608450881.db2.gz VAXJGANHMPGXCH-UHFFFAOYSA-N -1 3 367.171 3.070 20 50 FGGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826445448 608450882 /nfs/dbraw/zinc/45/08/82/608450882.db2.gz VAXJGANHMPGXCH-UHFFFAOYSA-N -1 3 367.171 3.070 20 50 FGGDHM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000826299079 608874202 /nfs/dbraw/zinc/87/42/02/608874202.db2.gz QGKDFYVHBIGBKW-RIYZIHGNSA-N -1 3 362.368 3.168 20 50 FGGDHM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000826299079 608874204 /nfs/dbraw/zinc/87/42/04/608874204.db2.gz QGKDFYVHBIGBKW-RIYZIHGNSA-N -1 3 362.368 3.168 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Nc1ccccc1 ZINC000826447319 607339929 /nfs/dbraw/zinc/33/99/29/607339929.db2.gz ZSDQGRRJZAGADT-UHFFFAOYSA-N -1 3 371.404 3.367 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000826378943 607883720 /nfs/dbraw/zinc/88/37/20/607883720.db2.gz FOOZHOWGGKABMM-XFXZXTDPSA-N -1 3 350.769 3.066 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1 ZINC000826378943 607883721 /nfs/dbraw/zinc/88/37/21/607883721.db2.gz FOOZHOWGGKABMM-XFXZXTDPSA-N -1 3 350.769 3.066 20 50 FGGDHM O=C(NN=Cc1c(Cl)oc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000826444665 608054685 /nfs/dbraw/zinc/05/46/85/608054685.db2.gz POTXVZBYLOEFSE-UHFFFAOYSA-N -1 3 366.768 3.030 20 50 FGGDHM O=C(NN=Cc1c(Cl)oc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000826444665 608054686 /nfs/dbraw/zinc/05/46/86/608054686.db2.gz POTXVZBYLOEFSE-UHFFFAOYSA-N -1 3 366.768 3.030 20 50 FGGDHM C[C@H](C=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824385376 608110020 /nfs/dbraw/zinc/11/00/20/608110020.db2.gz RTSUJSSSUPLPPF-LLVKDONJSA-N -1 3 354.801 3.039 20 50 FGGDHM C[C@H](C=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824385376 608110021 /nfs/dbraw/zinc/11/00/21/608110021.db2.gz RTSUJSSSUPLPPF-LLVKDONJSA-N -1 3 354.801 3.039 20 50 FGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826190465 608214929 /nfs/dbraw/zinc/21/49/29/608214929.db2.gz CFQRMQSOMSZARP-AUWJEWJLSA-N -1 3 365.780 3.319 20 50 FGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826190465 608214930 /nfs/dbraw/zinc/21/49/30/608214930.db2.gz CFQRMQSOMSZARP-AUWJEWJLSA-N -1 3 365.780 3.319 20 50 FGGDHM CC(C)(C)Oc1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824124526 608810350 /nfs/dbraw/zinc/81/03/50/608810350.db2.gz UVCPJLYJXVVKNQ-UHFFFAOYSA-N -1 3 367.413 3.193 20 50 FGGDHM CC(C)(C)Oc1ccccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824124526 608810352 /nfs/dbraw/zinc/81/03/52/608810352.db2.gz UVCPJLYJXVVKNQ-UHFFFAOYSA-N -1 3 367.413 3.193 20 50 FGGDHM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826290656 607915717 /nfs/dbraw/zinc/91/57/17/607915717.db2.gz UDTQRIFYJBYJSY-ZSOIEALJSA-N -1 3 362.368 3.168 20 50 FGGDHM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826290656 607915718 /nfs/dbraw/zinc/91/57/18/607915718.db2.gz UDTQRIFYJBYJSY-ZSOIEALJSA-N -1 3 362.368 3.168 20 50 FGGDHM N#CC(=Cc1cccc(OC(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379208 608217340 /nfs/dbraw/zinc/21/73/40/608217340.db2.gz LTFJCWOLUAKTBY-VGOFMYFVSA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1cccc(OC(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379208 608217341 /nfs/dbraw/zinc/21/73/41/608217341.db2.gz LTFJCWOLUAKTBY-VGOFMYFVSA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1OC(F)F ZINC000826379237 608581134 /nfs/dbraw/zinc/58/11/34/608581134.db2.gz MYCLZRSFGRFAHK-LCYFTJDESA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1OC(F)F ZINC000826379237 608581135 /nfs/dbraw/zinc/58/11/35/608581135.db2.gz MYCLZRSFGRFAHK-LCYFTJDESA-N -1 3 367.315 3.258 20 50 FGGDHM CC[C@@H](C)[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825050397 607335661 /nfs/dbraw/zinc/33/56/61/607335661.db2.gz ISAHJBZSVIBPHL-CXAGYDPISA-N -1 3 350.426 3.140 20 50 FGGDHM CC[C@@H](C)[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825050397 607335662 /nfs/dbraw/zinc/33/56/62/607335662.db2.gz ISAHJBZSVIBPHL-CXAGYDPISA-N -1 3 350.426 3.140 20 50 FGGDHM CC(C)c1ccc(SCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347563 607350849 /nfs/dbraw/zinc/35/08/49/607350849.db2.gz DICZZNGOUYFKRT-UHFFFAOYSA-N -1 3 368.466 3.226 20 50 FGGDHM Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000826263222 607883537 /nfs/dbraw/zinc/88/35/37/607883537.db2.gz QIYAOBUVVIRQIN-YBEGLDIGSA-N -1 3 358.405 3.338 20 50 FGGDHM Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000826263222 607883538 /nfs/dbraw/zinc/88/35/38/607883538.db2.gz QIYAOBUVVIRQIN-YBEGLDIGSA-N -1 3 358.405 3.338 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000826378859 607883603 /nfs/dbraw/zinc/88/36/03/607883603.db2.gz CDHAFCMXYBGLPQ-XFFZJAGNSA-N -1 3 368.759 3.205 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000826378859 607883604 /nfs/dbraw/zinc/88/36/04/607883604.db2.gz CDHAFCMXYBGLPQ-XFFZJAGNSA-N -1 3 368.759 3.205 20 50 FGGDHM C[C@@H](C=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824385377 608109923 /nfs/dbraw/zinc/10/99/23/608109923.db2.gz RTSUJSSSUPLPPF-NSHDSACASA-N -1 3 354.801 3.039 20 50 FGGDHM C[C@@H](C=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824385377 608109924 /nfs/dbraw/zinc/10/99/24/608109924.db2.gz RTSUJSSSUPLPPF-NSHDSACASA-N -1 3 354.801 3.039 20 50 FGGDHM N#CC(=Cc1cc(Cl)ccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379257 608215438 /nfs/dbraw/zinc/21/54/38/608215438.db2.gz NHBHGEXRQAMSGZ-QPEQYQDCSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1cc(Cl)ccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379257 608215440 /nfs/dbraw/zinc/21/54/40/608215440.db2.gz NHBHGEXRQAMSGZ-QPEQYQDCSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1F ZINC000826379739 608288505 /nfs/dbraw/zinc/28/85/05/608288505.db2.gz ZZOMDGOLISUHEX-KPKJPENVSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1F ZINC000826379739 608288508 /nfs/dbraw/zinc/28/85/08/608288508.db2.gz ZZOMDGOLISUHEX-KPKJPENVSA-N -1 3 353.744 3.449 20 50 FGGDHM O=C(NNc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826449359 608816031 /nfs/dbraw/zinc/81/60/31/608816031.db2.gz OPRCXPASPIKMHK-UHFFFAOYSA-N -1 3 363.303 3.034 20 50 FGGDHM O=C(NNc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826449359 608816032 /nfs/dbraw/zinc/81/60/32/608816032.db2.gz OPRCXPASPIKMHK-UHFFFAOYSA-N -1 3 363.303 3.034 20 50 FGGDHM Cc1ccc(C)n1-c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826284813 607335413 /nfs/dbraw/zinc/33/54/13/607335413.db2.gz GZOJTEMQEJRCPT-UHFFFAOYSA-N -1 3 373.420 3.031 20 50 FGGDHM Cc1ccc(C)n1-c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826284813 607335415 /nfs/dbraw/zinc/33/54/15/607335415.db2.gz GZOJTEMQEJRCPT-UHFFFAOYSA-N -1 3 373.420 3.031 20 50 FGGDHM CCCCCOc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825276348 607338771 /nfs/dbraw/zinc/33/87/71/607338771.db2.gz WWVCYXNLEMBTLR-UHFFFAOYSA-N -1 3 366.425 3.193 20 50 FGGDHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347786 607713002 /nfs/dbraw/zinc/71/30/02/607713002.db2.gz NQUICFWTSRVJBF-QZTJIDSGSA-N -1 3 362.437 3.237 20 50 FGGDHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347786 607713004 /nfs/dbraw/zinc/71/30/04/607713004.db2.gz NQUICFWTSRVJBF-QZTJIDSGSA-N -1 3 362.437 3.237 20 50 FGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)cc1F ZINC000826379465 608288524 /nfs/dbraw/zinc/28/85/24/608288524.db2.gz SGWGMMOMVMLDPK-KPKJPENVSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cc1F ZINC000826379465 608288526 /nfs/dbraw/zinc/28/85/26/608288526.db2.gz SGWGMMOMVMLDPK-KPKJPENVSA-N -1 3 353.744 3.449 20 50 FGGDHM Cc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000826270168 608814034 /nfs/dbraw/zinc/81/40/34/608814034.db2.gz OAGWEHOZZABRKM-UHFFFAOYSA-N -1 3 367.413 3.111 20 50 FGGDHM Cc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000826270168 608814038 /nfs/dbraw/zinc/81/40/38/608814038.db2.gz OAGWEHOZZABRKM-UHFFFAOYSA-N -1 3 367.413 3.111 20 50 FGGDHM CC[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825081860 607341845 /nfs/dbraw/zinc/34/18/45/607341845.db2.gz NXXAXDZXGVCNLM-CQSZACIVSA-N -1 3 350.426 3.202 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(F)c(Cl)cc1Cl ZINC000826448685 607714488 /nfs/dbraw/zinc/71/44/88/607714488.db2.gz GUPRNCKGVYUCOM-UHFFFAOYSA-N -1 3 367.171 3.070 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(F)c(Cl)cc1Cl ZINC000826448685 607714490 /nfs/dbraw/zinc/71/44/90/607714490.db2.gz GUPRNCKGVYUCOM-UHFFFAOYSA-N -1 3 367.171 3.070 20 50 FGGDHM O=C(CCc1ccc(-c2ccccc2)o1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407988 607717487 /nfs/dbraw/zinc/71/74/87/607717487.db2.gz LKKYSWDOQZWDPY-UHFFFAOYSA-N -1 3 374.404 3.203 20 50 FGGDHM O=C(CCc1ccc(-c2ccccc2)o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407988 607717488 /nfs/dbraw/zinc/71/74/88/607717488.db2.gz LKKYSWDOQZWDPY-UHFFFAOYSA-N -1 3 374.404 3.203 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000826448337 607718234 /nfs/dbraw/zinc/71/82/34/607718234.db2.gz QZQKJUMTIXNADL-RTBURBONSA-N -1 3 370.416 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000826448337 607718237 /nfs/dbraw/zinc/71/82/37/607718237.db2.gz QZQKJUMTIXNADL-RTBURBONSA-N -1 3 370.416 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)CCCCCC2 ZINC000826448575 607720158 /nfs/dbraw/zinc/72/01/58/607720158.db2.gz AWZGFPXNLWYYNT-UHFFFAOYSA-N -1 3 368.466 3.344 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)CCCCCC2 ZINC000826448575 607720160 /nfs/dbraw/zinc/72/01/60/607720160.db2.gz AWZGFPXNLWYYNT-UHFFFAOYSA-N -1 3 368.466 3.344 20 50 FGGDHM C[C@H](Sc1ccccc1Cl)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824762290 607722150 /nfs/dbraw/zinc/72/21/50/607722150.db2.gz FPGGVOMWGVGYNT-JTQLQIEISA-N -1 3 374.857 3.144 20 50 FGGDHM C[C@H](Sc1ccccc1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824762290 607722152 /nfs/dbraw/zinc/72/21/52/607722152.db2.gz FPGGVOMWGVGYNT-JTQLQIEISA-N -1 3 374.857 3.144 20 50 FGGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000826233795 607883390 /nfs/dbraw/zinc/88/33/90/607883390.db2.gz WFNHDHBMMGKNSV-GXDHUFHOSA-N -1 3 354.373 3.446 20 50 FGGDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000826233795 607883391 /nfs/dbraw/zinc/88/33/91/607883391.db2.gz WFNHDHBMMGKNSV-GXDHUFHOSA-N -1 3 354.373 3.446 20 50 FGGDHM O=C(NN=Cc1c(Cl)oc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444643 608054597 /nfs/dbraw/zinc/05/45/97/608054597.db2.gz ONFKAJBRRDBJJT-UHFFFAOYSA-N -1 3 366.768 3.030 20 50 FGGDHM O=C(NN=Cc1c(Cl)oc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444643 608054598 /nfs/dbraw/zinc/05/45/98/608054598.db2.gz ONFKAJBRRDBJJT-UHFFFAOYSA-N -1 3 366.768 3.030 20 50 FGGDHM N#CC(=Cc1ccc(F)c(Cl)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379721 608213727 /nfs/dbraw/zinc/21/37/27/608213727.db2.gz ZPHMBDDSEXHGTQ-AWNIVKPZSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(F)c(Cl)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379721 608213729 /nfs/dbraw/zinc/21/37/29/608213729.db2.gz ZPHMBDDSEXHGTQ-AWNIVKPZSA-N -1 3 353.744 3.449 20 50 FGGDHM CCSCc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825675096 608813506 /nfs/dbraw/zinc/81/35/06/608813506.db2.gz WASAEFMKSDHZIY-UHFFFAOYSA-N -1 3 369.454 3.268 20 50 FGGDHM CCSCc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825675096 608813507 /nfs/dbraw/zinc/81/35/07/608813507.db2.gz WASAEFMKSDHZIY-UHFFFAOYSA-N -1 3 369.454 3.268 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824135473 609263175 /nfs/dbraw/zinc/26/31/75/609263175.db2.gz FNXAELKWSJJZFF-JYRVWZFOSA-N -1 3 362.437 3.321 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000824135473 609263176 /nfs/dbraw/zinc/26/31/76/609263176.db2.gz FNXAELKWSJJZFF-JYRVWZFOSA-N -1 3 362.437 3.321 20 50 FGGDHM CC(C)(C)c1ccc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824135534 607334919 /nfs/dbraw/zinc/33/49/19/607334919.db2.gz GCIZWMMFOUXVEH-FMIVXFBMSA-N -1 3 362.437 3.321 20 50 FGGDHM CC(C)(C)c1ccc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824135534 607334921 /nfs/dbraw/zinc/33/49/21/607334921.db2.gz GCIZWMMFOUXVEH-FMIVXFBMSA-N -1 3 362.437 3.321 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)-c1ccccc1C2 ZINC000826446846 607339425 /nfs/dbraw/zinc/33/94/25/607339425.db2.gz BANQOHKBUOXPEE-UHFFFAOYSA-N -1 3 368.400 3.195 20 50 FGGDHM C[C@H](Sc1ccccc1Cl)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824764373 607347906 /nfs/dbraw/zinc/34/79/06/607347906.db2.gz VSHXQLLKJBMXKS-JTQLQIEISA-N -1 3 374.857 3.144 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000826446653 607672320 /nfs/dbraw/zinc/67/23/20/607672320.db2.gz TYJJPJQBEGIPGP-UHFFFAOYSA-N -1 3 363.303 3.034 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)cc1Cl ZINC000826446287 607672369 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ZINC000826379329 608215964 /nfs/dbraw/zinc/21/59/64/608215964.db2.gz OXFDTDDIGDXTRZ-UUILKARUSA-N -1 3 355.279 3.074 20 50 FGGDHM N#CC(=Cc1cc(F)c(F)c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379329 608215965 /nfs/dbraw/zinc/21/59/65/608215965.db2.gz OXFDTDDIGDXTRZ-UUILKARUSA-N -1 3 355.279 3.074 20 50 FGGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379246 608288687 /nfs/dbraw/zinc/28/86/87/608288687.db2.gz NBGMDXWHNYSWON-QPEQYQDCSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379246 608288689 /nfs/dbraw/zinc/28/86/89/608288689.db2.gz NBGMDXWHNYSWON-QPEQYQDCSA-N -1 3 353.744 3.449 20 50 FGGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000826445246 608490913 /nfs/dbraw/zinc/49/09/13/608490913.db2.gz LZSHLMIQXCQDBS-UHFFFAOYSA-N -1 3 373.200 3.131 20 50 FGGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000826445246 608490915 /nfs/dbraw/zinc/49/09/15/608490915.db2.gz LZSHLMIQXCQDBS-UHFFFAOYSA-N -1 3 373.200 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O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cc1ccccc1 ZINC000826446955 607347526 /nfs/dbraw/zinc/34/75/26/607347526.db2.gz GWOCWNMGNOVCKR-UHFFFAOYSA-N -1 3 370.416 3.214 20 50 FGGDHM CCc1ccc(-c2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000825700408 607353985 /nfs/dbraw/zinc/35/39/85/607353985.db2.gz DZRXUZRRTZAACV-UHFFFAOYSA-N -1 3 374.404 3.446 20 50 FGGDHM CC=C(C=CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)CC ZINC000825027960 607396143 /nfs/dbraw/zinc/39/61/43/607396143.db2.gz AIJDNONVTISWNT-ZVBUZHGDSA-N -1 3 366.347 3.241 20 50 FGGDHM CC=C(C=CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)CC ZINC000825027960 607396145 /nfs/dbraw/zinc/39/61/45/607396145.db2.gz AIJDNONVTISWNT-ZVBUZHGDSA-N -1 3 366.347 3.241 20 50 FGGDHM O=C(CCc1ccc2ccccc2c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409371 607729894 /nfs/dbraw/zinc/72/98/94/607729894.db2.gz VKTWXPBMDDSATA-UHFFFAOYSA-N -1 3 358.405 3.096 20 50 FGGDHM O=C(CCc1ccc2ccccc2c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409371 607729895 /nfs/dbraw/zinc/72/98/95/607729895.db2.gz VKTWXPBMDDSATA-UHFFFAOYSA-N -1 3 358.405 3.096 20 50 FGGDHM CC(C)(C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000824065167 607732745 /nfs/dbraw/zinc/73/27/45/607732745.db2.gz UUKWAIPPMXSVRG-UHFFFAOYSA-N -1 3 372.432 3.441 20 50 FGGDHM CC(C)(C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000824065167 607732746 /nfs/dbraw/zinc/73/27/46/607732746.db2.gz UUKWAIPPMXSVRG-UHFFFAOYSA-N -1 3 372.432 3.441 20 50 FGGDHM O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1cc(-c2nnn[n-]2)cs1 ZINC000823454060 606856280 /nfs/dbraw/zinc/85/62/80/606856280.db2.gz KJDZQMJQLWMHGU-UHFFFAOYSA-N -1 3 367.346 3.209 20 50 FGGDHM O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1cc(-c2nn[n-]n2)cs1 ZINC000823454060 606856282 /nfs/dbraw/zinc/85/62/82/606856282.db2.gz KJDZQMJQLWMHGU-UHFFFAOYSA-N -1 3 367.346 3.209 20 50 FGGDHM Cc1c(C=C(C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cnn1C ZINC000826236002 607879922 /nfs/dbraw/zinc/87/99/22/607879922.db2.gz WKBATPRDLBUXEN-AUWJEWJLSA-N -1 3 374.433 3.096 20 50 FGGDHM 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Cc1ccc(CCCC=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826287514 609467675 /nfs/dbraw/zinc/46/76/75/609467675.db2.gz RTVKLTXSTOBXLD-UHFFFAOYSA-N -1 3 362.437 3.222 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000826446751 607343681 /nfs/dbraw/zinc/34/36/81/607343681.db2.gz XAHBCVNZJDRIHC-RTBURBONSA-N -1 3 370.416 3.267 20 50 FGGDHM CCCOc1ccc(Cl)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825339368 607344119 /nfs/dbraw/zinc/34/41/19/607344119.db2.gz XVGZVLJPSBFGOD-UHFFFAOYSA-N -1 3 372.816 3.066 20 50 FGGDHM O=C(Cc1ccc(-c2ccccc2)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826421729 607344512 /nfs/dbraw/zinc/34/45/12/607344512.db2.gz WGBNHJNBEAMJQG-UHFFFAOYSA-N -1 3 370.416 3.220 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Oc1ccccc1 ZINC000826446924 607344844 /nfs/dbraw/zinc/34/48/44/607344844.db2.gz FNMQWJAJYRLHGP-UHFFFAOYSA-N -1 3 372.388 3.416 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2cccc(Cl)c2o1 ZINC000826446827 607350939 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Cc1ccc(C=C(C#N)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826285507 608184103 /nfs/dbraw/zinc/18/41/03/608184103.db2.gz BNCSXYDRAUJVHN-KPYNCUPYSA-N -1 3 359.389 3.387 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826285507 608184104 /nfs/dbraw/zinc/18/41/04/608184104.db2.gz BNCSXYDRAUJVHN-KPYNCUPYSA-N -1 3 359.389 3.387 20 50 FGGDHM CCOc1cc(Cl)ccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825615646 608817176 /nfs/dbraw/zinc/81/71/76/608817176.db2.gz FAQZZPNVWHPANM-UHFFFAOYSA-N -1 3 373.804 3.067 20 50 FGGDHM CCOc1cc(Cl)ccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825615646 608817177 /nfs/dbraw/zinc/81/71/77/608817177.db2.gz FAQZZPNVWHPANM-UHFFFAOYSA-N -1 3 373.804 3.067 20 50 FGGDHM Cc1ccc(SCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826292916 607336166 /nfs/dbraw/zinc/33/61/66/607336166.db2.gz RZSPLUSHTVYOKD-UHFFFAOYSA-N -1 3 368.466 3.109 20 50 FGGDHM Cc1ccc(SCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826292916 607336168 /nfs/dbraw/zinc/33/61/68/607336168.db2.gz RZSPLUSHTVYOKD-UHFFFAOYSA-N -1 3 368.466 3.109 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826446750 607343914 /nfs/dbraw/zinc/34/39/14/607343914.db2.gz XAHBCVNZJDRIHC-RBUKOAKNSA-N -1 3 370.416 3.267 20 50 FGGDHM CCc1ccc([C@H](C)CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825704965 607713492 /nfs/dbraw/zinc/71/34/92/607713492.db2.gz SCICAVXBAKWVCK-CYBMUJFWSA-N -1 3 350.426 3.066 20 50 FGGDHM CCc1ccc([C@H](C)CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825704965 607713494 /nfs/dbraw/zinc/71/34/94/607713494.db2.gz SCICAVXBAKWVCK-CYBMUJFWSA-N -1 3 350.426 3.066 20 50 FGGDHM CC(C)(CCCc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824152984 607725083 /nfs/dbraw/zinc/72/50/83/607725083.db2.gz WQPWHVQZZWNTMR-UHFFFAOYSA-N -1 3 364.453 3.359 20 50 FGGDHM CC(C)(CCCc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824152984 607725084 /nfs/dbraw/zinc/72/50/84/607725084.db2.gz WQPWHVQZZWNTMR-UHFFFAOYSA-N -1 3 364.453 3.359 20 50 FGGDHM CC(C)C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824229821 607727347 /nfs/dbraw/zinc/72/73/47/607727347.db2.gz VGLAKKPMSUMROR-QGZVFWFLSA-N -1 3 350.426 3.140 20 50 FGGDHM CC(C)C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824229821 607727349 /nfs/dbraw/zinc/72/73/49/607727349.db2.gz VGLAKKPMSUMROR-QGZVFWFLSA-N -1 3 350.426 3.140 20 50 FGGDHM CC(C)c1ccc(SCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347543 607729631 /nfs/dbraw/zinc/72/96/31/607729631.db2.gz CSDIHRVDENZPAO-UHFFFAOYSA-N -1 3 368.466 3.226 20 50 FGGDHM CC(C)c1ccc(SCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347543 607729633 /nfs/dbraw/zinc/72/96/33/607729633.db2.gz CSDIHRVDENZPAO-UHFFFAOYSA-N -1 3 368.466 3.226 20 50 FGGDHM CC(=Cc1cccc(Cl)c1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823943089 607995078 /nfs/dbraw/zinc/99/50/78/607995078.db2.gz MVDHZSDCBOUESJ-DHZHZOJOSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(=Cc1cccc(Cl)c1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823943089 607995079 /nfs/dbraw/zinc/99/50/79/607995079.db2.gz MVDHZSDCBOUESJ-DHZHZOJOSA-N -1 3 354.801 3.067 20 50 FGGDHM CC1(C)Cc2cccc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)c2O1 ZINC000824812692 608213229 /nfs/dbraw/zinc/21/32/29/608213229.db2.gz OHDMUGVLNOUPHP-YVLHZVERSA-N -1 3 371.400 3.370 20 50 FGGDHM CC1(C)Cc2cccc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)c2O1 ZINC000824812692 608213230 /nfs/dbraw/zinc/21/32/30/608213230.db2.gz OHDMUGVLNOUPHP-YVLHZVERSA-N -1 3 371.400 3.370 20 50 FGGDHM COc1cccc2cc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)oc21 ZINC000826218236 608216517 /nfs/dbraw/zinc/21/65/17/608216517.db2.gz VAUIEYLTXDTBMA-GDNBJRDFSA-N -1 3 371.356 3.411 20 50 FGGDHM COc1cccc2cc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)oc21 ZINC000826218236 608216519 /nfs/dbraw/zinc/21/65/19/608216519.db2.gz VAUIEYLTXDTBMA-GDNBJRDFSA-N -1 3 371.356 3.411 20 50 FGGDHM Cc1cc(C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826261551 608386886 /nfs/dbraw/zinc/38/68/86/608386886.db2.gz JNEAYUNFTLTOID-NTUHNPAUSA-N -1 3 350.313 3.287 20 50 FGGDHM Cc1cc(C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826261551 608386887 /nfs/dbraw/zinc/38/68/87/608386887.db2.gz JNEAYUNFTLTOID-NTUHNPAUSA-N -1 3 350.313 3.287 20 50 FGGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1OC(F)F ZINC000826379481 608581423 /nfs/dbraw/zinc/58/14/23/608581423.db2.gz SPOOBXVEYCPWKB-UKTHLTGXSA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1OC(F)F ZINC000826379481 608581424 /nfs/dbraw/zinc/58/14/24/608581424.db2.gz SPOOBXVEYCPWKB-UKTHLTGXSA-N -1 3 367.315 3.258 20 50 FGGDHM CCC(C)=C(C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825052127 609253510 /nfs/dbraw/zinc/25/35/10/609253510.db2.gz UWGMLNPPYKFLRJ-CMDGGOBGSA-N -1 3 354.336 3.075 20 50 FGGDHM CCC(C)=C(C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825052127 609253512 /nfs/dbraw/zinc/25/35/12/609253512.db2.gz UWGMLNPPYKFLRJ-CMDGGOBGSA-N -1 3 354.336 3.075 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000826378860 607883627 /nfs/dbraw/zinc/88/36/27/607883627.db2.gz CDHAFCMXYBGLPQ-YRNVUSSQSA-N -1 3 368.759 3.205 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000826378860 607883628 /nfs/dbraw/zinc/88/36/28/607883628.db2.gz CDHAFCMXYBGLPQ-YRNVUSSQSA-N -1 3 368.759 3.205 20 50 FGGDHM N#CC(=CC=Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378796 608217147 /nfs/dbraw/zinc/21/71/47/608217147.db2.gz AOTKKYQRHYALCT-PGODXZJGSA-N -1 3 372.344 3.121 20 50 FGGDHM N#CC(=CC=Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378796 608217149 /nfs/dbraw/zinc/21/71/49/608217149.db2.gz AOTKKYQRHYALCT-PGODXZJGSA-N -1 3 372.344 3.121 20 50 FGGDHM N#CC(=Cc1ccc(Cl)c(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379003 608217153 /nfs/dbraw/zinc/21/71/53/608217153.db2.gz GXOWZAQFODZEPO-AWNIVKPZSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(Cl)c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379003 608217154 /nfs/dbraw/zinc/21/71/54/608217154.db2.gz GXOWZAQFODZEPO-AWNIVKPZSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1nccc2ccccc21)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379601 608217720 /nfs/dbraw/zinc/21/77/20/608217720.db2.gz WOPDLDLDLMVJGS-LFIBNONCSA-N -1 3 352.357 3.205 20 50 FGGDHM N#CC(=Cc1nccc2ccccc21)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379601 608217722 /nfs/dbraw/zinc/21/77/22/608217722.db2.gz WOPDLDLDLMVJGS-LFIBNONCSA-N -1 3 352.357 3.205 20 50 FGGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445211 608450419 /nfs/dbraw/zinc/45/04/19/608450419.db2.gz KZWMBFDZMJGMQV-UHFFFAOYSA-N -1 3 367.171 3.070 20 50 FGGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445211 608450421 /nfs/dbraw/zinc/45/04/21/608450421.db2.gz KZWMBFDZMJGMQV-UHFFFAOYSA-N -1 3 367.171 3.070 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)no1 ZINC000826379366 608877116 /nfs/dbraw/zinc/87/71/16/608877116.db2.gz PYUUKYWTDJBPNF-MDWZMJQESA-N -1 3 359.324 3.120 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)no1 ZINC000826379366 608877120 /nfs/dbraw/zinc/87/71/20/608877120.db2.gz PYUUKYWTDJBPNF-MDWZMJQESA-N -1 3 359.324 3.120 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824136661 609604660 /nfs/dbraw/zinc/60/46/60/609604660.db2.gz ULCJWHJPYFLWFR-UHFFFAOYSA-N -1 3 351.414 3.313 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824136661 609604662 /nfs/dbraw/zinc/60/46/62/609604662.db2.gz ULCJWHJPYFLWFR-UHFFFAOYSA-N -1 3 351.414 3.313 20 50 FGGDHM O=C(CCCCCc1cccs1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406087 607334427 /nfs/dbraw/zinc/33/44/27/607334427.db2.gz HQXJXOSJMRJBRS-UHFFFAOYSA-N -1 3 356.455 3.174 20 50 FGGDHM O=C(CCCCCc1cccs1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406087 607334429 /nfs/dbraw/zinc/33/44/29/607334429.db2.gz HQXJXOSJMRJBRS-UHFFFAOYSA-N -1 3 356.455 3.174 20 50 FGGDHM CC(C)CCOc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824249028 607335141 /nfs/dbraw/zinc/33/51/41/607335141.db2.gz GVWXKDURMIWFDE-UHFFFAOYSA-N -1 3 366.425 3.049 20 50 FGGDHM CC(C)CCOc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824249028 607335142 /nfs/dbraw/zinc/33/51/42/607335142.db2.gz GVWXKDURMIWFDE-UHFFFAOYSA-N -1 3 366.425 3.049 20 50 FGGDHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824348079 607341431 /nfs/dbraw/zinc/34/14/31/607341431.db2.gz YTNQZXWGGKONQR-QZTJIDSGSA-N -1 3 362.437 3.237 20 50 FGGDHM CCSc1ccc(Cl)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825674824 607348115 /nfs/dbraw/zinc/34/81/15/607348115.db2.gz SJGQPKPKQWRJSE-UHFFFAOYSA-N -1 3 374.857 3.389 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1sccc1-c1ccccc1 ZINC000826447366 607347607 /nfs/dbraw/zinc/34/76/07/607347607.db2.gz BSFRUUAZFHNDBP-UHFFFAOYSA-N -1 3 362.418 3.352 20 50 FGGDHM Cc1cc(CCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000826266090 607715409 /nfs/dbraw/zinc/71/54/09/607715409.db2.gz BHGHMLDMXQPBKS-UHFFFAOYSA-N -1 3 356.455 3.011 20 50 FGGDHM Cc1cc(CCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000826266090 607715412 /nfs/dbraw/zinc/71/54/12/607715412.db2.gz BHGHMLDMXQPBKS-UHFFFAOYSA-N -1 3 356.455 3.011 20 50 FGGDHM CCCOc1ccc(Cl)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825339225 607718733 /nfs/dbraw/zinc/71/87/33/607718733.db2.gz SCJIEWLCXBGPFX-UHFFFAOYSA-N -1 3 372.816 3.066 20 50 FGGDHM CCCOc1ccc(Cl)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825339225 607718734 /nfs/dbraw/zinc/71/87/34/607718734.db2.gz SCJIEWLCXBGPFX-UHFFFAOYSA-N -1 3 372.816 3.066 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cc1ccccc1 ZINC000826448720 607723505 /nfs/dbraw/zinc/72/35/05/607723505.db2.gz IFUMOJIZJNOZNF-UHFFFAOYSA-N -1 3 370.416 3.214 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cc1ccccc1 ZINC000826448720 607723507 /nfs/dbraw/zinc/72/35/07/607723507.db2.gz IFUMOJIZJNOZNF-UHFFFAOYSA-N -1 3 370.416 3.214 20 50 FGGDHM O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823281234 606869378 /nfs/dbraw/zinc/86/93/78/606869378.db2.gz PHEDJYBSJGJGJS-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823281234 606869380 /nfs/dbraw/zinc/86/93/80/606869380.db2.gz PHEDJYBSJGJGJS-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1c[nH]c2ccccc12 ZINC000826379088 607915628 /nfs/dbraw/zinc/91/56/28/607915628.db2.gz IRLCKCORQBTIAQ-KPKJPENVSA-N -1 3 358.336 3.277 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2ccccc12 ZINC000826379088 607915629 /nfs/dbraw/zinc/91/56/29/607915629.db2.gz IRLCKCORQBTIAQ-KPKJPENVSA-N -1 3 358.336 3.277 20 50 FGGDHM CC(=Cc1ccc(Cl)cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823944175 607995075 /nfs/dbraw/zinc/99/50/75/607995075.db2.gz ZMNBUXUIVYZEMT-LUAWRHEFSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(=Cc1ccc(Cl)cc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823944175 607995076 /nfs/dbraw/zinc/99/50/76/607995076.db2.gz ZMNBUXUIVYZEMT-LUAWRHEFSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(=Cc1cccc(Cl)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823943073 607995224 /nfs/dbraw/zinc/99/52/24/607995224.db2.gz MLGMQXJBRXUSGP-LUAWRHEFSA-N -1 3 354.801 3.067 20 50 FGGDHM COc1ccc2oc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000826213555 608216736 /nfs/dbraw/zinc/21/67/36/608216736.db2.gz BHHVTDRDCOAGDS-XNTDXEJSSA-N -1 3 371.356 3.411 20 50 FGGDHM COc1ccc2oc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000826213555 608216737 /nfs/dbraw/zinc/21/67/37/608216737.db2.gz BHHVTDRDCOAGDS-XNTDXEJSSA-N -1 3 371.356 3.411 20 50 FGGDHM Cc1ccc(CCCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826287430 607345715 /nfs/dbraw/zinc/34/57/15/607345715.db2.gz OREXOILZBKNIAF-UHFFFAOYSA-N -1 3 350.426 3.031 20 50 FGGDHM CC(C)(C)c1ccc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824135644 607354583 /nfs/dbraw/zinc/35/45/83/607354583.db2.gz IERJTWVPYBRZLZ-UHFFFAOYSA-N -1 3 364.453 3.240 20 50 FGGDHM CC(C)[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824184749 607714934 /nfs/dbraw/zinc/71/49/34/607714934.db2.gz KLHPISPGRYWICM-MRXNPFEDSA-N -1 3 370.844 3.403 20 50 FGGDHM CC(C)[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824184749 607714935 /nfs/dbraw/zinc/71/49/35/607714935.db2.gz KLHPISPGRYWICM-MRXNPFEDSA-N -1 3 370.844 3.403 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000826448735 607725402 /nfs/dbraw/zinc/72/54/02/607725402.db2.gz IVKUTRFQIMZIRL-UHFFFAOYSA-N -1 3 368.400 3.195 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000826448735 607725404 /nfs/dbraw/zinc/72/54/04/607725404.db2.gz IVKUTRFQIMZIRL-UHFFFAOYSA-N -1 3 368.400 3.195 20 50 FGGDHM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826290655 607915854 /nfs/dbraw/zinc/91/58/54/607915854.db2.gz UDTQRIFYJBYJSY-RIYZIHGNSA-N -1 3 362.368 3.168 20 50 FGGDHM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826290655 607915855 /nfs/dbraw/zinc/91/58/55/607915855.db2.gz UDTQRIFYJBYJSY-RIYZIHGNSA-N -1 3 362.368 3.168 20 50 FGGDHM N#CC(=Cc1coc(-c2ccccc2)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379674 608217741 /nfs/dbraw/zinc/21/77/41/608217741.db2.gz YMMKWFHRLKPYMP-MHWRWJLKSA-N -1 3 368.356 3.312 20 50 FGGDHM N#CC(=Cc1coc(-c2ccccc2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379674 608217743 /nfs/dbraw/zinc/21/77/43/608217743.db2.gz YMMKWFHRLKPYMP-MHWRWJLKSA-N -1 3 368.356 3.312 20 50 FGGDHM O=C(NN=C1CC(c2ccc(Cl)cc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444559 609470239 /nfs/dbraw/zinc/47/02/39/609470239.db2.gz LJXBZVVQOFIJSR-UHFFFAOYSA-N -1 3 366.812 3.184 20 50 FGGDHM O=C(NN=C1CC(c2ccc(Cl)cc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444559 609470242 /nfs/dbraw/zinc/47/02/42/609470242.db2.gz LJXBZVVQOFIJSR-UHFFFAOYSA-N -1 3 366.812 3.184 20 50 FGGDHM Cc1cccc(C2(C(=O)NNc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000826297226 607334453 /nfs/dbraw/zinc/33/44/53/607334453.db2.gz ZFCHBNHIQGSBNS-UHFFFAOYSA-N -1 3 362.437 3.130 20 50 FGGDHM Cc1cccc(C2(C(=O)NNc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000826297226 607334455 /nfs/dbraw/zinc/33/44/55/607334455.db2.gz ZFCHBNHIQGSBNS-UHFFFAOYSA-N -1 3 362.437 3.130 20 50 FGGDHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824348078 607341281 /nfs/dbraw/zinc/34/12/81/607341281.db2.gz YTNQZXWGGKONQR-MSOLQXFVSA-N -1 3 362.437 3.237 20 50 FGGDHM Cc1cccc(C2(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000826296615 607354132 /nfs/dbraw/zinc/35/41/32/607354132.db2.gz CRXZRCUROQFZBN-UHFFFAOYSA-N -1 3 362.437 3.130 20 50 FGGDHM CCC(C)(C)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825043346 607807031 /nfs/dbraw/zinc/80/70/31/607807031.db2.gz FVLWPDRDYKDGPQ-UHFFFAOYSA-N -1 3 350.426 3.311 20 50 FGGDHM CC(C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)=Cc1ccc(Cl)cc1 ZINC000824385524 607807488 /nfs/dbraw/zinc/80/74/88/607807488.db2.gz WCOCAFXGTBGZIP-LZMWDKRLSA-N -1 3 366.812 3.339 20 50 FGGDHM CC(C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)=Cc1ccc(Cl)cc1 ZINC000824385524 607807489 /nfs/dbraw/zinc/80/74/89/607807489.db2.gz WCOCAFXGTBGZIP-LZMWDKRLSA-N -1 3 366.812 3.339 20 50 FGGDHM Cc1nn(C)cc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826334250 607880002 /nfs/dbraw/zinc/88/00/02/607880002.db2.gz NSFPXVBNBDKVPX-VGOFMYFVSA-N -1 3 374.433 3.096 20 50 FGGDHM Cc1nn(C)cc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826334250 607880003 /nfs/dbraw/zinc/88/00/03/607880003.db2.gz NSFPXVBNBDKVPX-VGOFMYFVSA-N -1 3 374.433 3.096 20 50 FGGDHM CCC[C@H](C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)C ZINC000825224725 608170749 /nfs/dbraw/zinc/17/07/49/608170749.db2.gz CCFSIMCPELHRHD-NSHDSACASA-N -1 3 370.379 3.401 20 50 FGGDHM CCC[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000825224725 608170750 /nfs/dbraw/zinc/17/07/50/608170750.db2.gz CCFSIMCPELHRHD-NSHDSACASA-N -1 3 370.379 3.401 20 50 FGGDHM C=CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823932452 608214357 /nfs/dbraw/zinc/21/43/57/608214357.db2.gz ZINHOSWKAXKTNE-BOPFTXTBSA-N -1 3 357.373 3.221 20 50 FGGDHM C=CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823932452 608214358 /nfs/dbraw/zinc/21/43/58/608214358.db2.gz ZINHOSWKAXKTNE-BOPFTXTBSA-N -1 3 357.373 3.221 20 50 FGGDHM COc1ccccc1C=CC=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826219272 608216428 /nfs/dbraw/zinc/21/64/28/608216428.db2.gz XFCVQXISZCRJOV-GAGKHWTPSA-N -1 3 357.373 3.221 20 50 FGGDHM COc1ccccc1C=CC=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826219272 608216429 /nfs/dbraw/zinc/21/64/29/608216429.db2.gz XFCVQXISZCRJOV-GAGKHWTPSA-N -1 3 357.373 3.221 20 50 FGGDHM N#CC(=CC=Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378795 608217043 /nfs/dbraw/zinc/21/70/43/608217043.db2.gz AOTKKYQRHYALCT-OGIXJBENSA-N -1 3 372.344 3.121 20 50 FGGDHM N#CC(=CC=Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378795 608217045 /nfs/dbraw/zinc/21/70/45/608217045.db2.gz AOTKKYQRHYALCT-OGIXJBENSA-N -1 3 372.344 3.121 20 50 FGGDHM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824384564 608276296 /nfs/dbraw/zinc/27/62/96/608276296.db2.gz DUBOXGCTRAIRBH-GFCCVEGCSA-N -1 3 370.844 3.232 20 50 FGGDHM C[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824384564 608276298 /nfs/dbraw/zinc/27/62/98/608276298.db2.gz DUBOXGCTRAIRBH-GFCCVEGCSA-N -1 3 370.844 3.232 20 50 FGGDHM Cc1cc(C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826261552 608387245 /nfs/dbraw/zinc/38/72/45/608387245.db2.gz JNEAYUNFTLTOID-QPEQYQDCSA-N -1 3 350.313 3.287 20 50 FGGDHM Cc1cc(C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826261552 608387247 /nfs/dbraw/zinc/38/72/47/608387247.db2.gz JNEAYUNFTLTOID-QPEQYQDCSA-N -1 3 350.313 3.287 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000826447889 608803068 /nfs/dbraw/zinc/80/30/68/608803068.db2.gz AGVVEAFFSWEYCB-UHFFFAOYSA-N -1 3 363.303 3.034 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000826447889 608803070 /nfs/dbraw/zinc/80/30/70/608803070.db2.gz AGVVEAFFSWEYCB-UHFFFAOYSA-N -1 3 363.303 3.034 20 50 FGGDHM CC(=NNC(=O)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953877 609277278 /nfs/dbraw/zinc/27/72/78/609277278.db2.gz TYKAJHZTIMGFBB-UHFFFAOYSA-N -1 3 374.379 3.313 20 50 FGGDHM CC(=NNC(=O)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953877 609277279 /nfs/dbraw/zinc/27/72/79/609277279.db2.gz TYKAJHZTIMGFBB-UHFFFAOYSA-N -1 3 374.379 3.313 20 50 FGGDHM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000823944115 607356010 /nfs/dbraw/zinc/35/60/10/607356010.db2.gz XUWXAXOVILBYGX-LUAWRHEFSA-N -1 3 354.801 3.067 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)cc1Cl ZINC000823281212 599551786 /nfs/dbraw/zinc/55/17/86/599551786.db2.gz OLQKLKVCVWLZFM-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)cc1Cl ZINC000823281212 599551788 /nfs/dbraw/zinc/55/17/88/599551788.db2.gz OLQKLKVCVWLZFM-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(F)=C1CCCC1 ZINC000826446677 607397021 /nfs/dbraw/zinc/39/70/21/607397021.db2.gz URVLQCWDCFUHMZ-UHFFFAOYSA-N -1 3 370.310 3.126 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(F)=C1CCCC1 ZINC000826446677 607397024 /nfs/dbraw/zinc/39/70/24/607397024.db2.gz URVLQCWDCFUHMZ-UHFFFAOYSA-N -1 3 370.310 3.126 20 50 FGGDHM O=C(C=Cc1ccccc1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826400497 607397260 /nfs/dbraw/zinc/39/72/60/607397260.db2.gz AGKLGIRJAIKLSO-TWGQIWQCSA-N -1 3 374.326 3.042 20 50 FGGDHM O=C(C=Cc1ccccc1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826400497 607397262 /nfs/dbraw/zinc/39/72/62/607397262.db2.gz AGKLGIRJAIKLSO-TWGQIWQCSA-N -1 3 374.326 3.042 20 50 FGGDHM CC(=CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000823943549 607713033 /nfs/dbraw/zinc/71/30/33/607713033.db2.gz QJYAFOGKOJOQBC-LUAWRHEFSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(=CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000823943549 607713035 /nfs/dbraw/zinc/71/30/35/607713035.db2.gz QJYAFOGKOJOQBC-LUAWRHEFSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(C)c1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000824341830 607730700 /nfs/dbraw/zinc/73/07/00/607730700.db2.gz FOFMNLVKJSUDBK-UHFFFAOYSA-N -1 3 373.420 3.295 20 50 FGGDHM CC(C)c1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000824341830 607730701 /nfs/dbraw/zinc/73/07/01/607730701.db2.gz FOFMNLVKJSUDBK-UHFFFAOYSA-N -1 3 373.420 3.295 20 50 FGGDHM CCn1nccc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825807015 607807067 /nfs/dbraw/zinc/80/70/67/607807067.db2.gz LYNWUJZKMUZMKI-ZROIWOOFSA-N -1 3 374.433 3.271 20 50 FGGDHM CCn1nccc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825807015 607807068 /nfs/dbraw/zinc/80/70/68/607807068.db2.gz LYNWUJZKMUZMKI-ZROIWOOFSA-N -1 3 374.433 3.271 20 50 FGGDHM CC(=NNC(=O)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823953740 608094394 /nfs/dbraw/zinc/09/43/94/608094394.db2.gz NXKVLFAVBZMQDP-UHFFFAOYSA-N -1 3 362.418 3.235 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826285506 608184251 /nfs/dbraw/zinc/18/42/51/608184251.db2.gz BNCSXYDRAUJVHN-FNHQQPGVSA-N -1 3 359.389 3.387 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826285506 608184253 /nfs/dbraw/zinc/18/42/53/608184253.db2.gz BNCSXYDRAUJVHN-FNHQQPGVSA-N -1 3 359.389 3.387 20 50 FGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826190466 608215064 /nfs/dbraw/zinc/21/50/64/608215064.db2.gz CFQRMQSOMSZARP-VGOFMYFVSA-N -1 3 365.780 3.319 20 50 FGGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826190466 608215065 /nfs/dbraw/zinc/21/50/65/608215065.db2.gz CFQRMQSOMSZARP-VGOFMYFVSA-N -1 3 365.780 3.319 20 50 FGGDHM N#CC(=Cc1cccc(Cl)c1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379548 608215844 /nfs/dbraw/zinc/21/58/44/608215844.db2.gz VFIJZPDMQCROJP-NTUHNPAUSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1cccc(Cl)c1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379548 608215845 /nfs/dbraw/zinc/21/58/45/608215845.db2.gz VFIJZPDMQCROJP-NTUHNPAUSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1nccc2ccccc21)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379602 608217906 /nfs/dbraw/zinc/21/79/06/608217906.db2.gz WOPDLDLDLMVJGS-WJDWOHSUSA-N -1 3 352.357 3.205 20 50 FGGDHM N#CC(=Cc1nccc2ccccc21)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379602 608217908 /nfs/dbraw/zinc/21/79/08/608217908.db2.gz WOPDLDLDLMVJGS-WJDWOHSUSA-N -1 3 352.357 3.205 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccnc1-c1ccccc1 ZINC000826447951 608818129 /nfs/dbraw/zinc/81/81/29/608818129.db2.gz BXBKMEHUOCVKMD-UHFFFAOYSA-N -1 3 372.392 3.077 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccnc1-c1ccccc1 ZINC000826447951 608818132 /nfs/dbraw/zinc/81/81/32/608818132.db2.gz BXBKMEHUOCVKMD-UHFFFAOYSA-N -1 3 372.392 3.077 20 50 FGGDHM CC(C)(CCCc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824153052 607348812 /nfs/dbraw/zinc/34/88/12/607348812.db2.gz ZQIQRRZESAPEBU-UHFFFAOYSA-N -1 3 364.453 3.359 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000826447263 607347419 /nfs/dbraw/zinc/34/74/19/607347419.db2.gz XAGQDWQZZRTXOB-UHFFFAOYSA-N -1 3 354.757 3.023 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2F)o1 ZINC000826447174 607347619 /nfs/dbraw/zinc/34/76/19/607347619.db2.gz REZRHWQCOZYLJM-UHFFFAOYSA-N -1 3 364.340 3.023 20 50 FGGDHM O=C(CCCC[C@@H]1CCSS1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406148 607349436 /nfs/dbraw/zinc/34/94/36/607349436.db2.gz KNSWZLRKDFEUDC-CYBMUJFWSA-N -1 3 364.500 3.024 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H](CC1CC1)c1ccccc1 ZINC000823280993 599678113 /nfs/dbraw/zinc/67/81/13/599678113.db2.gz KULDDZQYKJEMIW-QGZVFWFLSA-N -1 3 363.425 3.034 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H](CC1CC1)c1ccccc1 ZINC000823280993 599678114 /nfs/dbraw/zinc/67/81/14/599678114.db2.gz KULDDZQYKJEMIW-QGZVFWFLSA-N -1 3 363.425 3.034 20 50 FGGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1cc(Cl)ccc1Cl ZINC000826249821 607390598 /nfs/dbraw/zinc/39/05/98/607390598.db2.gz WOXGDFNDIUEAPY-UHFFFAOYSA-N -1 3 363.208 3.239 20 50 FGGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1cc(Cl)ccc1Cl ZINC000826249821 607390600 /nfs/dbraw/zinc/39/06/00/607390600.db2.gz WOXGDFNDIUEAPY-UHFFFAOYSA-N -1 3 363.208 3.239 20 50 FGGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1ccc(C(F)(F)F)cc1 ZINC000826402420 607392226 /nfs/dbraw/zinc/39/22/26/607392226.db2.gz UBPKATPNMFELOC-BJMVGYQFSA-N -1 3 374.326 3.042 20 50 FGGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccc(C(F)(F)F)cc1 ZINC000826402420 607392228 /nfs/dbraw/zinc/39/22/28/607392228.db2.gz UBPKATPNMFELOC-BJMVGYQFSA-N -1 3 374.326 3.042 20 50 FGGDHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826233903 607756328 /nfs/dbraw/zinc/75/63/28/607756328.db2.gz ZERZAGJJESMADB-UHFFFAOYSA-N -1 3 367.800 3.067 20 50 FGGDHM CCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825338695 608215959 /nfs/dbraw/zinc/21/59/59/608215959.db2.gz FIRZRMBSMGRLJU-BOPFTXTBSA-N -1 3 359.389 3.445 20 50 FGGDHM CCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825338695 608215961 /nfs/dbraw/zinc/21/59/61/608215961.db2.gz FIRZRMBSMGRLJU-BOPFTXTBSA-N -1 3 359.389 3.445 20 50 FGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)cc1F ZINC000826379464 608288878 /nfs/dbraw/zinc/28/88/78/608288878.db2.gz SGWGMMOMVMLDPK-GHXNOFRVSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)cc1F ZINC000826379464 608288879 /nfs/dbraw/zinc/28/88/79/608288879.db2.gz SGWGMMOMVMLDPK-GHXNOFRVSA-N -1 3 353.744 3.449 20 50 FGGDHM CCC(CC)(C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825090121 607345412 /nfs/dbraw/zinc/34/54/12/607345412.db2.gz UEVAMJBHMBSDLE-UHFFFAOYSA-N -1 3 350.426 3.068 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000826446822 607352131 /nfs/dbraw/zinc/35/21/31/607352131.db2.gz ABNUXDVYOLLUKH-UHFFFAOYSA-N -1 3 364.340 3.023 20 50 FGGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000824039810 607356015 /nfs/dbraw/zinc/35/60/15/607356015.db2.gz HYNDNIXQBXFGFW-CYBMUJFWSA-N -1 3 358.405 3.267 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(c2cccc(Cl)c2)CCC1 ZINC000826446507 607356120 /nfs/dbraw/zinc/35/61/20/607356120.db2.gz OKYNRWRGVBWRAM-UHFFFAOYSA-N -1 3 368.828 3.085 20 50 FGGDHM CC(C)(C)c1ccc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824136752 607354647 /nfs/dbraw/zinc/35/46/47/607354647.db2.gz VNYFSZFNMHYPHO-MLPAPPSSSA-N -1 3 362.437 3.321 20 50 FGGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(Cl)cc1Cl ZINC000826249787 607711803 /nfs/dbraw/zinc/71/18/03/607711803.db2.gz UYXHOYSSRRNXSO-UHFFFAOYSA-N -1 3 363.208 3.239 20 50 FGGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc(Cl)cc1Cl ZINC000826249787 607711805 /nfs/dbraw/zinc/71/18/05/607711805.db2.gz UYXHOYSSRRNXSO-UHFFFAOYSA-N -1 3 363.208 3.239 20 50 FGGDHM CC1(C)Cc2cccc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)c2O1 ZINC000824812691 608213040 /nfs/dbraw/zinc/21/30/40/608213040.db2.gz OHDMUGVLNOUPHP-LICLKQGHSA-N -1 3 371.400 3.370 20 50 FGGDHM CC1(C)Cc2cccc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)c2O1 ZINC000824812691 608213041 /nfs/dbraw/zinc/21/30/41/608213041.db2.gz OHDMUGVLNOUPHP-LICLKQGHSA-N -1 3 371.400 3.370 20 50 FGGDHM CC(C)c1ncc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000824364454 608216063 /nfs/dbraw/zinc/21/60/63/608216063.db2.gz HLKIUGFFHPNSJX-NTUHNPAUSA-N -1 3 350.407 3.236 20 50 FGGDHM CC(C)c1ncc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000824364454 608216065 /nfs/dbraw/zinc/21/60/65/608216065.db2.gz HLKIUGFFHPNSJX-NTUHNPAUSA-N -1 3 350.407 3.236 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Oc2ccccc2)c1 ZINC000826446855 607352347 /nfs/dbraw/zinc/35/23/47/607352347.db2.gz BGUIANGNGJEKCJ-UHFFFAOYSA-N -1 3 372.388 3.416 20 50 FGGDHM CC(C)(C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000824065397 607353441 /nfs/dbraw/zinc/35/34/41/607353441.db2.gz ZUYJHQMCYIFAQQ-UHFFFAOYSA-N -1 3 372.432 3.441 20 50 FGGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)oc2c1c(C)ccc2C ZINC000826285415 607356924 /nfs/dbraw/zinc/35/69/24/607356924.db2.gz ZEQQUACIAITOMY-UHFFFAOYSA-N -1 3 362.393 3.295 20 50 FGGDHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347785 607712775 /nfs/dbraw/zinc/71/27/75/607712775.db2.gz NQUICFWTSRVJBF-MSOLQXFVSA-N -1 3 362.437 3.237 20 50 FGGDHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347785 607712776 /nfs/dbraw/zinc/71/27/76/607712776.db2.gz NQUICFWTSRVJBF-MSOLQXFVSA-N -1 3 362.437 3.237 20 50 FGGDHM Cc1nn(C)cc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826334249 607879887 /nfs/dbraw/zinc/87/98/87/607879887.db2.gz NSFPXVBNBDKVPX-AUWJEWJLSA-N -1 3 374.433 3.096 20 50 FGGDHM Cc1nn(C)cc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826334249 607879888 /nfs/dbraw/zinc/87/98/88/607879888.db2.gz NSFPXVBNBDKVPX-AUWJEWJLSA-N -1 3 374.433 3.096 20 50 FGGDHM Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000826263221 607883432 /nfs/dbraw/zinc/88/34/32/607883432.db2.gz QIYAOBUVVIRQIN-MHWRWJLKSA-N -1 3 358.405 3.338 20 50 FGGDHM Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000826263221 607883433 /nfs/dbraw/zinc/88/34/33/607883433.db2.gz QIYAOBUVVIRQIN-MHWRWJLKSA-N -1 3 358.405 3.338 20 50 FGGDHM CC(C)c1ncc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000824364455 608216192 /nfs/dbraw/zinc/21/61/92/608216192.db2.gz HLKIUGFFHPNSJX-QPEQYQDCSA-N -1 3 350.407 3.236 20 50 FGGDHM CC(C)c1ncc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000824364455 608216193 /nfs/dbraw/zinc/21/61/93/608216193.db2.gz HLKIUGFFHPNSJX-QPEQYQDCSA-N -1 3 350.407 3.236 20 50 FGGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cnc1Cl ZINC000826266245 608216708 /nfs/dbraw/zinc/21/67/08/608216708.db2.gz IJTAUEVBDANLKV-MKMNVTDBSA-N -1 3 350.769 3.013 20 50 FGGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000826266245 608216709 /nfs/dbraw/zinc/21/67/09/608216709.db2.gz IJTAUEVBDANLKV-MKMNVTDBSA-N -1 3 350.769 3.013 20 50 FGGDHM COc1ccc(Cl)cc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826208463 608218353 /nfs/dbraw/zinc/21/83/53/608218353.db2.gz LOGJCVYUKBRWCO-ZSOIEALJSA-N -1 3 365.780 3.319 20 50 FGGDHM COc1ccc(Cl)cc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826208463 608218355 /nfs/dbraw/zinc/21/83/55/608218355.db2.gz LOGJCVYUKBRWCO-ZSOIEALJSA-N -1 3 365.780 3.319 20 50 FGGDHM Cc1ccc(-c2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000826273606 609416994 /nfs/dbraw/zinc/41/69/94/609416994.db2.gz MGEPNAHHLAMFML-UHFFFAOYSA-N -1 3 366.406 3.254 20 50 FGGDHM CC(C)[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824185170 607341418 /nfs/dbraw/zinc/34/14/18/607341418.db2.gz SDTQVNMHPOQTDV-MRXNPFEDSA-N -1 3 370.844 3.403 20 50 FGGDHM C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824753454 607352263 /nfs/dbraw/zinc/35/22/63/607352263.db2.gz DDZXSLSSQUVUPG-JTQLQIEISA-N -1 3 374.857 3.144 20 50 FGGDHM C[C@@H](C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000824385419 608109825 /nfs/dbraw/zinc/10/98/25/608109825.db2.gz SJTGHRGPKKFKEZ-NSHDSACASA-N -1 3 354.801 3.039 20 50 FGGDHM C[C@@H](C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824385419 608109826 /nfs/dbraw/zinc/10/98/26/608109826.db2.gz SJTGHRGPKKFKEZ-NSHDSACASA-N -1 3 354.801 3.039 20 50 FGGDHM C[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(Cl)cc1 ZINC000824385499 608276324 /nfs/dbraw/zinc/27/63/24/608276324.db2.gz VQMWDHCHKDSDAU-LBPRGKRZSA-N -1 3 370.844 3.232 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000826378894 608874962 /nfs/dbraw/zinc/87/49/62/608874962.db2.gz DAKUZJXNHXGHCO-XFFZJAGNSA-N -1 3 368.759 3.205 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000826378894 608874966 /nfs/dbraw/zinc/87/49/66/608874966.db2.gz DAKUZJXNHXGHCO-XFFZJAGNSA-N -1 3 368.759 3.205 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Nc2ccccc2)c1 ZINC000826447106 607343747 /nfs/dbraw/zinc/34/37/47/607343747.db2.gz NCENWQOQDPEVLA-UHFFFAOYSA-N -1 3 371.404 3.367 20 50 FGGDHM CC(C)c1ccc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347573 607730661 /nfs/dbraw/zinc/73/06/61/607730661.db2.gz DTKOGHRAXKNDJA-UHFFFAOYSA-N -1 3 350.426 3.066 20 50 FGGDHM CC(C)c1ccc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347573 607730663 /nfs/dbraw/zinc/73/06/63/607730663.db2.gz DTKOGHRAXKNDJA-UHFFFAOYSA-N -1 3 350.426 3.066 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C(c1ccccc1)c1ccccc1 ZINC000826447447 607731705 /nfs/dbraw/zinc/73/17/05/607731705.db2.gz GFGKJFGCHFTZGN-UHFFFAOYSA-N -1 3 370.416 3.142 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C(c1ccccc1)c1ccccc1 ZINC000826447447 607731707 /nfs/dbraw/zinc/73/17/07/607731707.db2.gz GFGKJFGCHFTZGN-UHFFFAOYSA-N -1 3 370.416 3.142 20 50 FGGDHM O=C(NNc1cc(Cl)ccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823281247 606437757 /nfs/dbraw/zinc/43/77/57/606437757.db2.gz PVSARNIMRIQMPE-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1cc(Cl)ccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823281247 606437759 /nfs/dbraw/zinc/43/77/59/606437759.db2.gz PVSARNIMRIQMPE-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM CC(C)(C)c1ncc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000824142903 608215747 /nfs/dbraw/zinc/21/57/47/608215747.db2.gz ZQMWRWZUKGRIMS-JYRVWZFOSA-N -1 3 364.434 3.411 20 50 FGGDHM CC(C)(C)c1ncc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000824142903 608215750 /nfs/dbraw/zinc/21/57/50/608215750.db2.gz ZQMWRWZUKGRIMS-JYRVWZFOSA-N -1 3 364.434 3.411 20 50 FGGDHM CC1(C)Cc2cc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)ccc2O1 ZINC000824812129 608218338 /nfs/dbraw/zinc/21/83/38/608218338.db2.gz JZSAQOJJUYDHMS-MFOYZWKCSA-N -1 3 371.400 3.370 20 50 FGGDHM CC1(C)Cc2cc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)ccc2O1 ZINC000824812129 608218340 /nfs/dbraw/zinc/21/83/40/608218340.db2.gz JZSAQOJJUYDHMS-MFOYZWKCSA-N -1 3 371.400 3.370 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c3c(cccc31)CC2 ZINC000826448174 608805117 /nfs/dbraw/zinc/80/51/17/608805117.db2.gz KYKLPEHBTXAGSV-UHFFFAOYSA-N -1 3 371.404 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c3c(cccc31)CC2 ZINC000826448174 608805120 /nfs/dbraw/zinc/80/51/20/608805120.db2.gz KYKLPEHBTXAGSV-UHFFFAOYSA-N -1 3 371.404 3.267 20 50 FGGDHM CC[C@H](C)Oc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825073694 608808416 /nfs/dbraw/zinc/80/84/16/608808416.db2.gz AOHUTJFTIQJXND-LBPRGKRZSA-N -1 3 367.413 3.193 20 50 FGGDHM CC[C@H](C)Oc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825073694 608808420 /nfs/dbraw/zinc/80/84/20/608808420.db2.gz AOHUTJFTIQJXND-LBPRGKRZSA-N -1 3 367.413 3.193 20 50 FGGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000824040000 607336730 /nfs/dbraw/zinc/33/67/30/607336730.db2.gz KJOUCDBRHLHPGC-ZDUSSCGKSA-N -1 3 358.405 3.267 20 50 FGGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000824040000 607336732 /nfs/dbraw/zinc/33/67/32/607336732.db2.gz KJOUCDBRHLHPGC-ZDUSSCGKSA-N -1 3 358.405 3.267 20 50 FGGDHM CC(C)(Cc1cccc(Cl)c1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824163160 607727265 /nfs/dbraw/zinc/72/72/65/607727265.db2.gz ZVVIILMQUAXNEA-UHFFFAOYSA-N -1 3 370.844 3.232 20 50 FGGDHM CC(C)(Cc1cccc(Cl)c1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824163160 607727267 /nfs/dbraw/zinc/72/72/67/607727267.db2.gz ZVVIILMQUAXNEA-UHFFFAOYSA-N -1 3 370.844 3.232 20 50 FGGDHM CC(C)(CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824152949 607822419 /nfs/dbraw/zinc/82/24/19/607822419.db2.gz VKANPDZTBDXMOW-UHFFFAOYSA-N -1 3 350.426 3.068 20 50 FGGDHM Cc1cccc(C)c1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826297144 607915616 /nfs/dbraw/zinc/91/56/16/607915616.db2.gz WZIKGOOZZDHZFR-ZSOIEALJSA-N -1 3 362.368 3.168 20 50 FGGDHM Cc1cccc(C)c1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826297144 607915617 /nfs/dbraw/zinc/91/56/17/607915617.db2.gz WZIKGOOZZDHZFR-ZSOIEALJSA-N -1 3 362.368 3.168 20 50 FGGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1F ZINC000826379738 608288566 /nfs/dbraw/zinc/28/85/66/608288566.db2.gz ZZOMDGOLISUHEX-GHXNOFRVSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1F ZINC000826379738 608288568 /nfs/dbraw/zinc/28/85/68/608288568.db2.gz ZZOMDGOLISUHEX-GHXNOFRVSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccc(Cl)cc1F ZINC000826378863 608288618 /nfs/dbraw/zinc/28/86/18/608288618.db2.gz CFGKXAXTPVONPR-XFFZJAGNSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccc(Cl)cc1F ZINC000826378863 608288620 /nfs/dbraw/zinc/28/86/20/608288620.db2.gz CFGKXAXTPVONPR-XFFZJAGNSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccccc1OC(F)F ZINC000826379364 608581431 /nfs/dbraw/zinc/58/14/31/608581431.db2.gz PXMBJEXRYJQKKQ-VQHVLOKHSA-N -1 3 373.344 3.319 20 50 FGGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000824039812 607356026 /nfs/dbraw/zinc/35/60/26/607356026.db2.gz HYNDNIXQBXFGFW-ZDUSSCGKSA-N -1 3 358.405 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000826448127 607720087 /nfs/dbraw/zinc/72/00/87/607720087.db2.gz JFESILWHHULODV-RTBURBONSA-N -1 3 370.416 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000826448127 607720089 /nfs/dbraw/zinc/72/00/89/607720089.db2.gz JFESILWHHULODV-RTBURBONSA-N -1 3 370.416 3.267 20 50 FGGDHM Cc1cccc(C)c1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826297143 607915679 /nfs/dbraw/zinc/91/56/79/607915679.db2.gz WZIKGOOZZDHZFR-RIYZIHGNSA-N -1 3 362.368 3.168 20 50 FGGDHM Cc1cccc(C)c1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826297143 607915680 /nfs/dbraw/zinc/91/56/80/607915680.db2.gz WZIKGOOZZDHZFR-RIYZIHGNSA-N -1 3 362.368 3.168 20 50 FGGDHM CC(C)Oc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824324109 608214407 /nfs/dbraw/zinc/21/44/07/608214407.db2.gz GWHQQPKMLKJIAC-LICLKQGHSA-N -1 3 359.389 3.444 20 50 FGGDHM CC(C)Oc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824324109 608214408 /nfs/dbraw/zinc/21/44/08/608214408.db2.gz GWHQQPKMLKJIAC-LICLKQGHSA-N -1 3 359.389 3.444 20 50 FGGDHM N#CC(=Cc1ccc(F)cc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378984 608217310 /nfs/dbraw/zinc/21/73/10/608217310.db2.gz GIVKZWVJYNTXIK-MLPAPPSSSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(F)cc1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378984 608217311 /nfs/dbraw/zinc/21/73/11/608217311.db2.gz GIVKZWVJYNTXIK-MLPAPPSSSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc2ncccc2c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379268 608217319 /nfs/dbraw/zinc/21/73/19/608217319.db2.gz NNHQSVIAWSBNFC-YVLHZVERSA-N -1 3 352.357 3.205 20 50 FGGDHM N#CC(=Cc1ccc2ncccc2c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379268 608217320 /nfs/dbraw/zinc/21/73/20/608217320.db2.gz NNHQSVIAWSBNFC-YVLHZVERSA-N -1 3 352.357 3.205 20 50 FGGDHM Cc1ccc(C)n1-c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285418 607355178 /nfs/dbraw/zinc/35/51/78/607355178.db2.gz ZIBWLILHYYBPCN-UHFFFAOYSA-N -1 3 373.420 3.031 20 50 FGGDHM CCC1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC1 ZINC000825164618 607396077 /nfs/dbraw/zinc/39/60/77/607396077.db2.gz DZRLDFASOUBWJX-UHFFFAOYSA-N -1 3 368.363 3.299 20 50 FGGDHM CCC1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC1 ZINC000825164618 607396078 /nfs/dbraw/zinc/39/60/78/607396078.db2.gz DZRLDFASOUBWJX-UHFFFAOYSA-N -1 3 368.363 3.299 20 50 FGGDHM Cc1ccc(-c2noc(C(C#N)=Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000826280703 607884233 /nfs/dbraw/zinc/88/42/33/607884233.db2.gz MMWAUAAGZOJGSF-XNTDXEJSSA-N -1 3 355.361 3.289 20 50 FGGDHM Cc1ccc(-c2noc(C(C#N)=Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000826280703 607884234 /nfs/dbraw/zinc/88/42/34/607884234.db2.gz MMWAUAAGZOJGSF-XNTDXEJSSA-N -1 3 355.361 3.289 20 50 FGGDHM N#CC(=Cc1cc(F)c(F)c(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379328 608216135 /nfs/dbraw/zinc/21/61/35/608216135.db2.gz OXFDTDDIGDXTRZ-QCDXTXTGSA-N -1 3 355.279 3.074 20 50 FGGDHM N#CC(=Cc1cc(F)c(F)c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379328 608216136 /nfs/dbraw/zinc/21/61/36/608216136.db2.gz OXFDTDDIGDXTRZ-QCDXTXTGSA-N -1 3 355.279 3.074 20 50 FGGDHM CC[C@H](C)Oc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825075862 608808844 /nfs/dbraw/zinc/80/88/44/608808844.db2.gz RRXGRPCRLDIGCV-LBPRGKRZSA-N -1 3 367.413 3.193 20 50 FGGDHM CC[C@H](C)Oc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825075862 608808843 /nfs/dbraw/zinc/80/88/43/608808843.db2.gz RRXGRPCRLDIGCV-LBPRGKRZSA-N -1 3 367.413 3.193 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)no1 ZINC000826379365 608876971 /nfs/dbraw/zinc/87/69/71/608876971.db2.gz PYUUKYWTDJBPNF-JYRVWZFOSA-N -1 3 359.324 3.120 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)no1 ZINC000826379365 608876976 /nfs/dbraw/zinc/87/69/76/608876976.db2.gz PYUUKYWTDJBPNF-JYRVWZFOSA-N -1 3 359.324 3.120 20 50 FGGDHM O=C([N-]NC(=O)c1cccc(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1 ZINC000105964839 700505777 /nfs/dbraw/zinc/50/57/77/700505777.db2.gz ALUHQKBPLCKHEG-UHFFFAOYSA-N -1 3 370.714 3.003 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823280992 599678200 /nfs/dbraw/zinc/67/82/00/599678200.db2.gz KULDDZQYKJEMIW-KRWDZBQOSA-N -1 3 363.425 3.034 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823280992 599678201 /nfs/dbraw/zinc/67/82/01/599678201.db2.gz KULDDZQYKJEMIW-KRWDZBQOSA-N -1 3 363.425 3.034 20 50 FGGDHM CC(=Cc1cccc(Cl)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823943074 607995278 /nfs/dbraw/zinc/99/52/78/607995278.db2.gz MLGMQXJBRXUSGP-PKNBQFBNSA-N -1 3 354.801 3.067 20 50 FGGDHM N#CC(=Cc1ccc(F)cc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378983 608216976 /nfs/dbraw/zinc/21/69/76/608216976.db2.gz GIVKZWVJYNTXIK-AWNIVKPZSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(F)cc1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378983 608216979 /nfs/dbraw/zinc/21/69/79/608216979.db2.gz GIVKZWVJYNTXIK-AWNIVKPZSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccccc1OC(F)F ZINC000826379363 608581678 /nfs/dbraw/zinc/58/16/78/608581678.db2.gz PXMBJEXRYJQKKQ-CLFYSBASSA-N -1 3 373.344 3.319 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000826448392 608802883 /nfs/dbraw/zinc/80/28/83/608802883.db2.gz UCGNNNQGFAXFPN-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000826448392 608802884 /nfs/dbraw/zinc/80/28/84/608802884.db2.gz UCGNNNQGFAXFPN-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM CC(C)[C@H](Sc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824207364 607337038 /nfs/dbraw/zinc/33/70/38/607337038.db2.gz VFSOAJNKPZNJJX-INIZCTEOSA-N -1 3 368.466 3.127 20 50 FGGDHM CC(C)[C@H](Sc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824207364 607337040 /nfs/dbraw/zinc/33/70/40/607337040.db2.gz VFSOAJNKPZNJJX-INIZCTEOSA-N -1 3 368.466 3.127 20 50 FGGDHM Cc1cc(CCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826266457 607341805 /nfs/dbraw/zinc/34/18/05/607341805.db2.gz PJIDWKNTHHABNE-UHFFFAOYSA-N -1 3 356.455 3.011 20 50 FGGDHM CC[C@H](C)[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825051267 607356254 /nfs/dbraw/zinc/35/62/54/607356254.db2.gz MZTZREMBRUNODO-SUMWQHHRSA-N -1 3 350.426 3.140 20 50 FGGDHM O=C(C=Cc1ccccc1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826400496 607396999 /nfs/dbraw/zinc/39/69/99/607396999.db2.gz AGKLGIRJAIKLSO-RMKNXTFCSA-N -1 3 374.326 3.042 20 50 FGGDHM O=C(C=Cc1ccccc1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826400496 607397001 /nfs/dbraw/zinc/39/70/01/607397001.db2.gz AGKLGIRJAIKLSO-RMKNXTFCSA-N -1 3 374.326 3.042 20 50 FGGDHM CCc1ccc([C@@H](C)CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825704966 607715391 /nfs/dbraw/zinc/71/53/91/607715391.db2.gz SCICAVXBAKWVCK-ZDUSSCGKSA-N -1 3 350.426 3.066 20 50 FGGDHM CCc1ccc([C@@H](C)CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825704966 607715393 /nfs/dbraw/zinc/71/53/93/607715393.db2.gz SCICAVXBAKWVCK-ZDUSSCGKSA-N -1 3 350.426 3.066 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Nc2ccccc2)c1 ZINC000826449045 607718222 /nfs/dbraw/zinc/71/82/22/607718222.db2.gz YZZOKRKTCYHYIL-UHFFFAOYSA-N -1 3 371.404 3.367 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Nc2ccccc2)c1 ZINC000826449045 607718224 /nfs/dbraw/zinc/71/82/24/607718224.db2.gz YZZOKRKTCYHYIL-UHFFFAOYSA-N -1 3 371.404 3.367 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(c2cccs2)CCCCC1 ZINC000826447404 607728286 /nfs/dbraw/zinc/72/82/86/607728286.db2.gz DLDSJYVMVPOKBR-UHFFFAOYSA-N -1 3 368.466 3.273 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2cccs2)CCCCC1 ZINC000826447404 607728288 /nfs/dbraw/zinc/72/82/88/607728288.db2.gz DLDSJYVMVPOKBR-UHFFFAOYSA-N -1 3 368.466 3.273 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccncc2)cs1 ZINC000826379692 607884881 /nfs/dbraw/zinc/88/48/81/607884881.db2.gz YXMYLNCLLFZPOC-NTEUORMPSA-N -1 3 357.402 3.449 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc(-c2ccncc2)cs1 ZINC000826379692 607884882 /nfs/dbraw/zinc/88/48/82/607884882.db2.gz YXMYLNCLLFZPOC-NTEUORMPSA-N -1 3 357.402 3.449 20 50 FGGDHM CC(C)Cc1ccc([C@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824281084 608074507 /nfs/dbraw/zinc/07/45/07/608074507.db2.gz YWNCVVJDTRBIGI-AWEZNQCLSA-N -1 3 364.453 3.312 20 50 FGGDHM CC(C)Cc1ccc([C@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824281084 608074508 /nfs/dbraw/zinc/07/45/08/608074508.db2.gz YWNCVVJDTRBIGI-AWEZNQCLSA-N -1 3 364.453 3.312 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826285508 608184025 /nfs/dbraw/zinc/18/40/25/608184025.db2.gz BNCSXYDRAUJVHN-XKYMITNMSA-N -1 3 359.389 3.387 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826285508 608184026 /nfs/dbraw/zinc/18/40/26/608184026.db2.gz BNCSXYDRAUJVHN-XKYMITNMSA-N -1 3 359.389 3.387 20 50 FGGDHM N#CC(=Cc1cnc(C2CCC2)s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379183 608215331 /nfs/dbraw/zinc/21/53/31/608215331.db2.gz LBQZQJNXXOGBJR-ZSOIEALJSA-N -1 3 362.418 3.381 20 50 FGGDHM N#CC(=Cc1cnc(C2CCC2)s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379183 608215332 /nfs/dbraw/zinc/21/53/32/608215332.db2.gz LBQZQJNXXOGBJR-ZSOIEALJSA-N -1 3 362.418 3.381 20 50 FGGDHM N#CC(=Cc1ccccc1OCC1CC1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379566 608216014 /nfs/dbraw/zinc/21/60/14/608216014.db2.gz VUEIGNGCMHEEKD-VCHYOVAHSA-N -1 3 371.400 3.445 20 50 FGGDHM N#CC(=Cc1ccccc1OCC1CC1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379566 608216016 /nfs/dbraw/zinc/21/60/16/608216016.db2.gz VUEIGNGCMHEEKD-VCHYOVAHSA-N -1 3 371.400 3.445 20 50 FGGDHM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000823944112 607339882 /nfs/dbraw/zinc/33/98/82/607339882.db2.gz XUCLHNDNUHVWAW-ZHACJKMWSA-N -1 3 354.801 3.067 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000826446748 607343955 /nfs/dbraw/zinc/34/39/55/607343955.db2.gz XAHBCVNZJDRIHC-MOPGFXCFSA-N -1 3 370.416 3.267 20 50 FGGDHM C[C@]12CC3CC(C(=O)NNc4ccc(-c5nn[n-]n5)cc4)(C1)C[C@@](C)(C3)C2 ZINC000824852537 607350257 /nfs/dbraw/zinc/35/02/57/607350257.db2.gz NPVJHPWCJVGUFF-GOSFSIBNSA-N -1 3 366.469 3.306 20 50 FGGDHM Cc1c2cc(Cl)ccc2oc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826234665 607351529 /nfs/dbraw/zinc/35/15/29/607351529.db2.gz IEUBDOGWQRKLNX-UHFFFAOYSA-N -1 3 368.784 3.332 20 50 FGGDHM CCC(C)(C)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825043660 607807016 /nfs/dbraw/zinc/80/70/16/607807016.db2.gz IRBHKUJWAWETQC-UHFFFAOYSA-N -1 3 350.426 3.311 20 50 FGGDHM CCC(C)(C)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825043660 607807017 /nfs/dbraw/zinc/80/70/17/607807017.db2.gz IRBHKUJWAWETQC-UHFFFAOYSA-N -1 3 350.426 3.311 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1c[nH]c2ccccc12 ZINC000826379087 607915649 /nfs/dbraw/zinc/91/56/49/607915649.db2.gz IRLCKCORQBTIAQ-GHXNOFRVSA-N -1 3 358.336 3.277 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2ccccc12 ZINC000826379087 607915650 /nfs/dbraw/zinc/91/56/50/607915650.db2.gz IRLCKCORQBTIAQ-GHXNOFRVSA-N -1 3 358.336 3.277 20 50 FGGDHM N#CC(=Cc1ccc(F)c(Cl)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379722 608213590 /nfs/dbraw/zinc/21/35/90/608213590.db2.gz ZPHMBDDSEXHGTQ-MLPAPPSSSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccc(F)c(Cl)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379722 608213591 /nfs/dbraw/zinc/21/35/91/608213591.db2.gz ZPHMBDDSEXHGTQ-MLPAPPSSSA-N -1 3 353.744 3.449 20 50 FGGDHM O=C(NNc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826449494 608819223 /nfs/dbraw/zinc/81/92/23/608819223.db2.gz VTQRNBVJWGPYJO-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826449494 608819224 /nfs/dbraw/zinc/81/92/24/608819224.db2.gz VTQRNBVJWGPYJO-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM CC[C@H](C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC000825039359 609159676 /nfs/dbraw/zinc/15/96/76/609159676.db2.gz QBXJULPACZOZPY-HNNXBMFYSA-N -1 3 366.400 3.040 20 50 FGGDHM CC[C@H](C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC000825039359 609159678 /nfs/dbraw/zinc/15/96/78/609159678.db2.gz QBXJULPACZOZPY-HNNXBMFYSA-N -1 3 366.400 3.040 20 50 FGGDHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824348081 607341176 /nfs/dbraw/zinc/34/11/76/607341176.db2.gz YTNQZXWGGKONQR-ZWKOTPCHSA-N -1 3 362.437 3.237 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(c2cccs2)CCCCC1 ZINC000826446391 607350462 /nfs/dbraw/zinc/35/04/62/607350462.db2.gz JSKNPAQULWVTOJ-UHFFFAOYSA-N -1 3 368.466 3.273 20 50 FGGDHM CC(C)(C)c1ccc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824136611 607732224 /nfs/dbraw/zinc/73/22/24/607732224.db2.gz RESYTQQMJMLXOI-UHFFFAOYSA-N -1 3 364.453 3.240 20 50 FGGDHM CC(C)(C)c1ccc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824136611 607732226 /nfs/dbraw/zinc/73/22/26/607732226.db2.gz RESYTQQMJMLXOI-UHFFFAOYSA-N -1 3 364.453 3.240 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000826378942 607883711 /nfs/dbraw/zinc/88/37/11/607883711.db2.gz FOOZHOWGGKABMM-FMIVXFBMSA-N -1 3 350.769 3.066 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1 ZINC000826378942 607883712 /nfs/dbraw/zinc/88/37/12/607883712.db2.gz FOOZHOWGGKABMM-FMIVXFBMSA-N -1 3 350.769 3.066 20 50 FGGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1OC(F)F ZINC000826379480 608581205 /nfs/dbraw/zinc/58/12/05/608581205.db2.gz SPOOBXVEYCPWKB-LCYFTJDESA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1OC(F)F ZINC000826379480 608581207 /nfs/dbraw/zinc/58/12/07/608581207.db2.gz SPOOBXVEYCPWKB-LCYFTJDESA-N -1 3 367.315 3.258 20 50 FGGDHM CC(=NNC(=O)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953535 609158943 /nfs/dbraw/zinc/15/89/43/609158943.db2.gz FMKVHFYDXJDQOV-UHFFFAOYSA-N -1 3 374.379 3.313 20 50 FGGDHM CC(=NNC(=O)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953535 609158945 /nfs/dbraw/zinc/15/89/45/609158945.db2.gz FMKVHFYDXJDQOV-UHFFFAOYSA-N -1 3 374.379 3.313 20 50 FGGDHM CC(C)[C@@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824192352 607342713 /nfs/dbraw/zinc/34/27/13/607342713.db2.gz IXCJOILYFZADHS-QGZVFWFLSA-N -1 3 350.426 3.140 20 50 FGGDHM CCCc1sc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1CC ZINC000825352123 607342840 /nfs/dbraw/zinc/34/28/40/607342840.db2.gz KHOODBICGSUDKF-UHFFFAOYSA-N -1 3 356.455 3.200 20 50 FGGDHM O=C(CCSc1ccc(Cl)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826407874 607352843 /nfs/dbraw/zinc/35/28/43/607352843.db2.gz GCFPLGXASHTHKP-UHFFFAOYSA-N -1 3 374.857 3.146 20 50 FGGDHM CCCCCOc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825275942 607712082 /nfs/dbraw/zinc/71/20/82/607712082.db2.gz IWHPHYPWMKIFAU-UHFFFAOYSA-N -1 3 366.425 3.193 20 50 FGGDHM CCCCCOc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825275942 607712083 /nfs/dbraw/zinc/71/20/83/607712083.db2.gz IWHPHYPWMKIFAU-UHFFFAOYSA-N -1 3 366.425 3.193 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)cc1 ZINC000826448860 607713181 /nfs/dbraw/zinc/71/31/81/607713181.db2.gz PEDJSBMRMYLKGX-UHFFFAOYSA-N -1 3 356.389 3.291 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000826448860 607713183 /nfs/dbraw/zinc/71/31/83/607713183.db2.gz PEDJSBMRMYLKGX-UHFFFAOYSA-N -1 3 356.389 3.291 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826448336 607718529 /nfs/dbraw/zinc/71/85/29/607718529.db2.gz QZQKJUMTIXNADL-RBUKOAKNSA-N -1 3 370.416 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826448336 607718531 /nfs/dbraw/zinc/71/85/31/607718531.db2.gz QZQKJUMTIXNADL-RBUKOAKNSA-N -1 3 370.416 3.267 20 50 FGGDHM CC(C)Cc1ccc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824280102 607755743 /nfs/dbraw/zinc/75/57/43/607755743.db2.gz CQZBYJKQWBYGPQ-UHFFFAOYSA-N -1 3 364.453 3.141 20 50 FGGDHM CC(C)Cc1ccc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824280102 607755744 /nfs/dbraw/zinc/75/57/44/607755744.db2.gz CQZBYJKQWBYGPQ-UHFFFAOYSA-N -1 3 364.453 3.141 20 50 FGGDHM O=C(NN=C1CC(c2cccc(Cl)c2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444645 607816629 /nfs/dbraw/zinc/81/66/29/607816629.db2.gz OPHAQEXVELJCNQ-UHFFFAOYSA-N -1 3 366.812 3.184 20 50 FGGDHM O=C(NN=C1CC(c2cccc(Cl)c2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444645 607816630 /nfs/dbraw/zinc/81/66/30/607816630.db2.gz OPHAQEXVELJCNQ-UHFFFAOYSA-N -1 3 366.812 3.184 20 50 FGGDHM CCC[C@@H](C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)C ZINC000825224724 608170941 /nfs/dbraw/zinc/17/09/41/608170941.db2.gz CCFSIMCPELHRHD-LLVKDONJSA-N -1 3 370.379 3.401 20 50 FGGDHM CCC[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000825224724 608170943 /nfs/dbraw/zinc/17/09/43/608170943.db2.gz CCFSIMCPELHRHD-LLVKDONJSA-N -1 3 370.379 3.401 20 50 FGGDHM N#CC(=Cc1ccccc1OCC1CC1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379567 608215731 /nfs/dbraw/zinc/21/57/31/608215731.db2.gz VUEIGNGCMHEEKD-ZDLGFXPLSA-N -1 3 371.400 3.445 20 50 FGGDHM N#CC(=Cc1ccccc1OCC1CC1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379567 608215734 /nfs/dbraw/zinc/21/57/34/608215734.db2.gz VUEIGNGCMHEEKD-ZDLGFXPLSA-N -1 3 371.400 3.445 20 50 FGGDHM N#CC(=Cc1c[nH]c(-c2ccccc2)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379068 608216999 /nfs/dbraw/zinc/21/69/99/608216999.db2.gz IIAMROSATPPFJW-YBEGLDIGSA-N -1 3 367.372 3.047 20 50 FGGDHM N#CC(=Cc1c[nH]c(-c2ccccc2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379068 608217001 /nfs/dbraw/zinc/21/70/01/608217001.db2.gz IIAMROSATPPFJW-YBEGLDIGSA-N -1 3 367.372 3.047 20 50 FGGDHM N#CC(=Cc1cccc(OC(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379207 608217070 /nfs/dbraw/zinc/21/70/70/608217070.db2.gz LTFJCWOLUAKTBY-AUWJEWJLSA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1cccc(OC(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379207 608217072 /nfs/dbraw/zinc/21/70/72/608217072.db2.gz LTFJCWOLUAKTBY-AUWJEWJLSA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379343 608288500 /nfs/dbraw/zinc/28/85/00/608288500.db2.gz PLAMMBNANJKYOR-GHXNOFRVSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379343 608288502 /nfs/dbraw/zinc/28/85/02/608288502.db2.gz PLAMMBNANJKYOR-GHXNOFRVSA-N -1 3 353.744 3.449 20 50 FGGDHM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1nnn[n-]1 ZINC000826190419 608387090 /nfs/dbraw/zinc/38/70/90/608387090.db2.gz AMUQCZQJXPFEAI-RIYZIHGNSA-N -1 3 362.349 3.156 20 50 FGGDHM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1nn[n-]n1 ZINC000826190419 608387091 /nfs/dbraw/zinc/38/70/91/608387091.db2.gz AMUQCZQJXPFEAI-RIYZIHGNSA-N -1 3 362.349 3.156 20 50 FGGDHM O=C(NNc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826449316 608805276 /nfs/dbraw/zinc/80/52/76/608805276.db2.gz MGFYHQKECTWBIO-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826449316 608805280 /nfs/dbraw/zinc/80/52/80/608805280.db2.gz MGFYHQKECTWBIO-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM CCSc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825675182 608811401 /nfs/dbraw/zinc/81/14/01/608811401.db2.gz ZCQLFJPSSONDDS-UHFFFAOYSA-N -1 3 355.427 3.127 20 50 FGGDHM CCSc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825675182 608811403 /nfs/dbraw/zinc/81/14/03/608811403.db2.gz ZCQLFJPSSONDDS-UHFFFAOYSA-N -1 3 355.427 3.127 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000824135941 609176819 /nfs/dbraw/zinc/17/68/19/609176819.db2.gz KTKOEVNBCNTPJE-UHFFFAOYSA-N -1 3 372.379 3.199 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000824135941 609176821 /nfs/dbraw/zinc/17/68/21/609176821.db2.gz KTKOEVNBCNTPJE-UHFFFAOYSA-N -1 3 372.379 3.199 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccncc2)cs1 ZINC000826379693 607884926 /nfs/dbraw/zinc/88/49/26/607884926.db2.gz YXMYLNCLLFZPOC-ZROIWOOFSA-N -1 3 357.402 3.449 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc(-c2ccncc2)cs1 ZINC000826379693 607884927 /nfs/dbraw/zinc/88/49/27/607884927.db2.gz YXMYLNCLLFZPOC-ZROIWOOFSA-N -1 3 357.402 3.449 20 50 FGGDHM N#CC(=Cc1cc(F)c(F)cc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378842 608215427 /nfs/dbraw/zinc/21/54/27/608215427.db2.gz BNGKLZJWSXTBGQ-XGICHPGQSA-N -1 3 355.279 3.074 20 50 FGGDHM N#CC(=Cc1cc(F)c(F)cc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378842 608215429 /nfs/dbraw/zinc/21/54/29/608215429.db2.gz BNGKLZJWSXTBGQ-XGICHPGQSA-N -1 3 355.279 3.074 20 50 FGGDHM N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379597 608215859 /nfs/dbraw/zinc/21/58/59/608215859.db2.gz WMUKTCZAYILWJG-RIYZIHGNSA-N -1 3 367.315 3.258 20 50 FGGDHM N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379597 608215861 /nfs/dbraw/zinc/21/58/61/608215861.db2.gz WMUKTCZAYILWJG-RIYZIHGNSA-N -1 3 367.315 3.258 20 50 FGGDHM CCC(C)=C(C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825052128 609253656 /nfs/dbraw/zinc/25/36/56/609253656.db2.gz UWGMLNPPYKFLRJ-HJWRWDBZSA-N -1 3 354.336 3.075 20 50 FGGDHM CCC(C)=C(C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825052128 609253658 /nfs/dbraw/zinc/25/36/58/609253658.db2.gz UWGMLNPPYKFLRJ-HJWRWDBZSA-N -1 3 354.336 3.075 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000826447290 607341456 /nfs/dbraw/zinc/34/14/56/607341456.db2.gz YKUWGFHFBZPNQY-UHFFFAOYSA-N -1 3 367.171 3.070 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000826446243 607344672 /nfs/dbraw/zinc/34/46/72/607344672.db2.gz FDTUSCGIUKKDJZ-OALUTQOASA-N -1 3 370.416 3.267 20 50 FGGDHM CC(C)[C@H](Sc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824207334 607355766 /nfs/dbraw/zinc/35/57/66/607355766.db2.gz UOMNDZZKOQBZTE-INIZCTEOSA-N -1 3 368.466 3.127 20 50 FGGDHM C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000824384565 608276336 /nfs/dbraw/zinc/27/63/36/608276336.db2.gz DUBOXGCTRAIRBH-LBPRGKRZSA-N -1 3 370.844 3.232 20 50 FGGDHM C[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000824384565 608276338 /nfs/dbraw/zinc/27/63/38/608276338.db2.gz DUBOXGCTRAIRBH-LBPRGKRZSA-N -1 3 370.844 3.232 20 50 FGGDHM CC1(c2ccccc2)CCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824843377 608317826 /nfs/dbraw/zinc/31/78/26/608317826.db2.gz DAEITYGRTFRVTQ-UHFFFAOYSA-N -1 3 374.448 3.484 20 50 FGGDHM CC1(c2ccccc2)CCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824843377 608317829 /nfs/dbraw/zinc/31/78/29/608317829.db2.gz DAEITYGRTFRVTQ-UHFFFAOYSA-N -1 3 374.448 3.484 20 50 FGGDHM Cc1cc(C)c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826263547 608804326 /nfs/dbraw/zinc/80/43/26/608804326.db2.gz GSCLKOGWGROZDJ-UHFFFAOYSA-N -1 3 357.805 3.286 20 50 FGGDHM Cc1cc(C)c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826263547 608804328 /nfs/dbraw/zinc/80/43/28/608804328.db2.gz GSCLKOGWGROZDJ-UHFFFAOYSA-N -1 3 357.805 3.286 20 50 FGGDHM CC[C@@H](C)Oc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825075861 608808689 /nfs/dbraw/zinc/80/86/89/608808689.db2.gz RRXGRPCRLDIGCV-GFCCVEGCSA-N -1 3 367.413 3.193 20 50 FGGDHM CC[C@@H](C)Oc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825075861 608808691 /nfs/dbraw/zinc/80/86/91/608808691.db2.gz RRXGRPCRLDIGCV-GFCCVEGCSA-N -1 3 367.413 3.193 20 50 FGGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)oc2c1c(C)ccc2C ZINC000826285017 607338253 /nfs/dbraw/zinc/33/82/53/607338253.db2.gz NNOHJDSYSCVJNV-UHFFFAOYSA-N -1 3 362.393 3.295 20 50 FGGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)oc2c1c(C)ccc2C ZINC000826285017 607338255 /nfs/dbraw/zinc/33/82/55/607338255.db2.gz NNOHJDSYSCVJNV-UHFFFAOYSA-N -1 3 362.393 3.295 20 50 FGGDHM CCc1ccc([C@@H](C)CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825703943 607341898 /nfs/dbraw/zinc/34/18/98/607341898.db2.gz AIJFIXZFTFZGSH-ZDUSSCGKSA-N -1 3 350.426 3.066 20 50 FGGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)sc2cccc(F)c12 ZINC000826235002 607342818 /nfs/dbraw/zinc/34/28/18/607342818.db2.gz YUJSJMTZDADPAV-UHFFFAOYSA-N -1 3 368.397 3.286 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000826447251 607348723 /nfs/dbraw/zinc/34/87/23/607348723.db2.gz WNAYQTXMQZKNHZ-UHFFFAOYSA-N -1 3 362.349 3.009 20 50 FGGDHM CC(C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)=C1CCCC1 ZINC000824039884 607395203 /nfs/dbraw/zinc/39/52/03/607395203.db2.gz IZAICACQNHGGFJ-UHFFFAOYSA-N -1 3 366.347 3.219 20 50 FGGDHM CC(C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)=C1CCCC1 ZINC000824039884 607395204 /nfs/dbraw/zinc/39/52/04/607395204.db2.gz IZAICACQNHGGFJ-UHFFFAOYSA-N -1 3 366.347 3.219 20 50 FGGDHM Cc1ccc(-c2noc(C(C#N)=Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000826280702 607884162 /nfs/dbraw/zinc/88/41/62/607884162.db2.gz MMWAUAAGZOJGSF-GDNBJRDFSA-N -1 3 355.361 3.289 20 50 FGGDHM Cc1ccc(-c2noc(C(C#N)=Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000826280702 607884163 /nfs/dbraw/zinc/88/41/63/607884163.db2.gz MMWAUAAGZOJGSF-GDNBJRDFSA-N -1 3 355.361 3.289 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1Cl ZINC000826379419 607915989 /nfs/dbraw/zinc/91/59/89/607915989.db2.gz QYYIFRKMLAECST-YRNVUSSQSA-N -1 3 368.759 3.205 20 50 FGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1Cl ZINC000826379419 607915990 /nfs/dbraw/zinc/91/59/90/607915990.db2.gz QYYIFRKMLAECST-YRNVUSSQSA-N -1 3 368.759 3.205 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000826447168 607340235 /nfs/dbraw/zinc/34/02/35/607340235.db2.gz QXUQZHYNAILGGQ-UHFFFAOYSA-N -1 3 356.389 3.291 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000826446244 607344743 /nfs/dbraw/zinc/34/47/43/607344743.db2.gz FDTUSCGIUKKDJZ-RBUKOAKNSA-N -1 3 370.416 3.267 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)ccc1Cl ZINC000826446276 607672432 /nfs/dbraw/zinc/67/24/32/607672432.db2.gz GFCHANOWEUTFBN-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000826448126 607720118 /nfs/dbraw/zinc/72/01/18/607720118.db2.gz JFESILWHHULODV-RBUKOAKNSA-N -1 3 370.416 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000826448126 607720120 /nfs/dbraw/zinc/72/01/20/607720120.db2.gz JFESILWHHULODV-RBUKOAKNSA-N -1 3 370.416 3.267 20 50 FGGDHM CCSc1ccc(Cl)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825674519 607724021 /nfs/dbraw/zinc/72/40/21/607724021.db2.gz NIICTSPBPBKBBV-UHFFFAOYSA-N -1 3 374.857 3.389 20 50 FGGDHM CCSc1ccc(Cl)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825674519 607724022 /nfs/dbraw/zinc/72/40/22/607724022.db2.gz NIICTSPBPBKBBV-UHFFFAOYSA-N -1 3 374.857 3.389 20 50 FGGDHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826233361 607756317 /nfs/dbraw/zinc/75/63/17/607756317.db2.gz DNKKEQKXTPZMSA-UHFFFAOYSA-N -1 3 367.800 3.067 20 50 FGGDHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826233361 607756318 /nfs/dbraw/zinc/75/63/18/607756318.db2.gz DNKKEQKXTPZMSA-UHFFFAOYSA-N -1 3 367.800 3.067 20 50 FGGDHM C[C@H](C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000824385418 608109911 /nfs/dbraw/zinc/10/99/11/608109911.db2.gz SJTGHRGPKKFKEZ-LLVKDONJSA-N -1 3 354.801 3.039 20 50 FGGDHM C[C@H](C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824385418 608109912 /nfs/dbraw/zinc/10/99/12/608109912.db2.gz SJTGHRGPKKFKEZ-LLVKDONJSA-N -1 3 354.801 3.039 20 50 FGGDHM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1nnn[n-]1 ZINC000826190420 608387275 /nfs/dbraw/zinc/38/72/75/608387275.db2.gz AMUQCZQJXPFEAI-ZSOIEALJSA-N -1 3 362.349 3.156 20 50 FGGDHM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1nn[n-]n1 ZINC000826190420 608387277 /nfs/dbraw/zinc/38/72/77/608387277.db2.gz AMUQCZQJXPFEAI-ZSOIEALJSA-N -1 3 362.349 3.156 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1sc2ccccc2c1Cl ZINC000826447459 607355730 /nfs/dbraw/zinc/35/57/30/607355730.db2.gz GNQWWVYFBCFPMB-UHFFFAOYSA-N -1 3 370.825 3.492 20 50 FGGDHM Cc1c(Cl)cccc1NNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826236984 607393216 /nfs/dbraw/zinc/39/32/16/607393216.db2.gz KBMZYFAYKHEZOB-UHFFFAOYSA-N -1 3 374.857 3.064 20 50 FGGDHM Cc1c(Cl)cccc1NNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826236984 607393218 /nfs/dbraw/zinc/39/32/18/607393218.db2.gz KBMZYFAYKHEZOB-UHFFFAOYSA-N -1 3 374.857 3.064 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1sccc1-c1ccccc1 ZINC000826449429 607723352 /nfs/dbraw/zinc/72/33/52/607723352.db2.gz RVELDLQCCBLVBK-UHFFFAOYSA-N -1 3 362.418 3.352 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1sccc1-c1ccccc1 ZINC000826449429 607723353 /nfs/dbraw/zinc/72/33/53/607723353.db2.gz RVELDLQCCBLVBK-UHFFFAOYSA-N -1 3 362.418 3.352 20 50 FGGDHM CC(C)(CCC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824152394 607822356 /nfs/dbraw/zinc/82/23/56/607822356.db2.gz DOJFIDIMOMZTTF-UHFFFAOYSA-N -1 3 350.426 3.068 20 50 FGGDHM CC(C)(CCC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824152394 607822357 /nfs/dbraw/zinc/82/23/57/607822357.db2.gz DOJFIDIMOMZTTF-UHFFFAOYSA-N -1 3 350.426 3.068 20 50 FGGDHM Cc1c2cc(F)ccc2sc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826234908 607341904 /nfs/dbraw/zinc/34/19/04/607341904.db2.gz TWDMRTSXUGROPZ-UHFFFAOYSA-N -1 3 368.397 3.286 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000826446245 607344652 /nfs/dbraw/zinc/34/46/52/607344652.db2.gz FDTUSCGIUKKDJZ-RTBURBONSA-N -1 3 370.416 3.267 20 50 FGGDHM CC=C(C=CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)CC ZINC000825027959 607396221 /nfs/dbraw/zinc/39/62/21/607396221.db2.gz AIJDNONVTISWNT-IKJNXXLOSA-N -1 3 366.347 3.241 20 50 FGGDHM CC=C(C=CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)CC ZINC000825027959 607396223 /nfs/dbraw/zinc/39/62/23/607396223.db2.gz AIJDNONVTISWNT-IKJNXXLOSA-N -1 3 366.347 3.241 20 50 FGGDHM CC(C)Oc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824333018 608214028 /nfs/dbraw/zinc/21/40/28/608214028.db2.gz COLAPSPZKUQACU-YVLHZVERSA-N -1 3 359.389 3.444 20 50 FGGDHM CC(C)Oc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824333018 608214029 /nfs/dbraw/zinc/21/40/29/608214029.db2.gz COLAPSPZKUQACU-YVLHZVERSA-N -1 3 359.389 3.444 20 50 FGGDHM CC(C)Oc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824333017 608214270 /nfs/dbraw/zinc/21/42/70/608214270.db2.gz COLAPSPZKUQACU-LICLKQGHSA-N -1 3 359.389 3.444 20 50 FGGDHM CC(C)Oc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824333017 608214271 /nfs/dbraw/zinc/21/42/71/608214271.db2.gz COLAPSPZKUQACU-LICLKQGHSA-N -1 3 359.389 3.444 20 50 FGGDHM N#CC(=Cc1cnc(C2CCC2)s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379182 608215454 /nfs/dbraw/zinc/21/54/54/608215454.db2.gz LBQZQJNXXOGBJR-RIYZIHGNSA-N -1 3 362.418 3.381 20 50 FGGDHM N#CC(=Cc1cnc(C2CCC2)s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379182 608215455 /nfs/dbraw/zinc/21/54/55/608215455.db2.gz LBQZQJNXXOGBJR-RIYZIHGNSA-N -1 3 362.418 3.381 20 50 FGGDHM Cc1csc(C(C#N)=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826320567 609303142 /nfs/dbraw/zinc/30/31/42/609303142.db2.gz VYKCZWXHFPEQDV-AUWJEWJLSA-N -1 3 374.433 3.096 20 50 FGGDHM Cc1csc(C(C#N)=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826320567 609303144 /nfs/dbraw/zinc/30/31/44/609303144.db2.gz VYKCZWXHFPEQDV-AUWJEWJLSA-N -1 3 374.433 3.096 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000826446749 607343868 /nfs/dbraw/zinc/34/38/68/607343868.db2.gz XAHBCVNZJDRIHC-OALUTQOASA-N -1 3 370.416 3.267 20 50 FGGDHM C[C@]12CC3CC(C(=O)NNc4cccc(-c5nnn[n-]5)c4)(C1)C[C@@](C)(C3)C2 ZINC000824851963 607727501 /nfs/dbraw/zinc/72/75/01/607727501.db2.gz GOONVCMFCLZUFI-GOSFSIBNSA-N -1 3 366.469 3.306 20 50 FGGDHM C[C@]12CC3CC(C(=O)NNc4cccc(-c5nn[n-]n5)c4)(C1)C[C@@](C)(C3)C2 ZINC000824851963 607727503 /nfs/dbraw/zinc/72/75/03/607727503.db2.gz GOONVCMFCLZUFI-GOSFSIBNSA-N -1 3 366.469 3.306 20 50 FGGDHM Cc1c2cc(Cl)ccc2oc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826234612 607730126 /nfs/dbraw/zinc/73/01/26/607730126.db2.gz FZNBUAGBCAOOFJ-UHFFFAOYSA-N -1 3 368.784 3.332 20 50 FGGDHM Cc1c2cc(Cl)ccc2oc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826234612 607730128 /nfs/dbraw/zinc/73/01/28/607730128.db2.gz FZNBUAGBCAOOFJ-UHFFFAOYSA-N -1 3 368.784 3.332 20 50 FGGDHM C[C@H]1CC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824919311 607782323 /nfs/dbraw/zinc/78/23/23/607782323.db2.gz TVMAMARYWVWNIT-SJCJKPOMSA-N -1 3 363.425 3.131 20 50 FGGDHM C[C@H]1CC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824919311 607782324 /nfs/dbraw/zinc/78/23/24/607782324.db2.gz TVMAMARYWVWNIT-SJCJKPOMSA-N -1 3 363.425 3.131 20 50 FGGDHM CC[C@@H](C)Oc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825073692 608808148 /nfs/dbraw/zinc/80/81/48/608808148.db2.gz AOHUTJFTIQJXND-GFCCVEGCSA-N -1 3 367.413 3.193 20 50 FGGDHM CC[C@@H](C)Oc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825073692 608808149 /nfs/dbraw/zinc/80/81/49/608808149.db2.gz AOHUTJFTIQJXND-GFCCVEGCSA-N -1 3 367.413 3.193 20 50 FGGDHM CC[C@@H](C)[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825051019 607356457 /nfs/dbraw/zinc/35/64/57/607356457.db2.gz MZTZREMBRUNODO-CXAGYDPISA-N -1 3 350.426 3.140 20 50 FGGDHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347788 607713817 /nfs/dbraw/zinc/71/38/17/607713817.db2.gz NQUICFWTSRVJBF-ZWKOTPCHSA-N -1 3 362.437 3.237 20 50 FGGDHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347788 607713819 /nfs/dbraw/zinc/71/38/19/607713819.db2.gz NQUICFWTSRVJBF-ZWKOTPCHSA-N -1 3 362.437 3.237 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(C2CC2)nc2ccccc21 ZINC000826448807 607723546 /nfs/dbraw/zinc/72/35/46/607723546.db2.gz MRCMPEYKRDYCAU-UHFFFAOYSA-N -1 3 371.404 3.049 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(C2CC2)nc2ccccc21 ZINC000826448807 607723547 /nfs/dbraw/zinc/72/35/47/607723547.db2.gz MRCMPEYKRDYCAU-UHFFFAOYSA-N -1 3 371.404 3.049 20 50 FGGDHM Cc1c(C=C(C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cnn1C ZINC000826236003 607880093 /nfs/dbraw/zinc/88/00/93/607880093.db2.gz WKBATPRDLBUXEN-VGOFMYFVSA-N -1 3 374.433 3.096 20 50 FGGDHM Cc1c(C=C(C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cnn1C ZINC000826236003 607880094 /nfs/dbraw/zinc/88/00/94/607880094.db2.gz WKBATPRDLBUXEN-VGOFMYFVSA-N -1 3 374.433 3.096 20 50 FGGDHM CCc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825712126 607915376 /nfs/dbraw/zinc/91/53/76/607915376.db2.gz KPUIVVASRYHROH-ZROIWOOFSA-N -1 3 362.368 3.114 20 50 FGGDHM CCc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825712126 607915377 /nfs/dbraw/zinc/91/53/77/607915377.db2.gz KPUIVVASRYHROH-ZROIWOOFSA-N -1 3 362.368 3.114 20 50 FGGDHM CC(=Cc1ccc(Cl)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823942715 607995264 /nfs/dbraw/zinc/99/52/64/607995264.db2.gz HNHILUBDAOYVMB-KHPPLWFESA-N -1 3 354.801 3.067 20 50 FGGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cnc1Cl ZINC000826266246 608216784 /nfs/dbraw/zinc/21/67/84/608216784.db2.gz IJTAUEVBDANLKV-NSIKDUERSA-N -1 3 350.769 3.013 20 50 FGGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000826266246 608216785 /nfs/dbraw/zinc/21/67/85/608216785.db2.gz IJTAUEVBDANLKV-NSIKDUERSA-N -1 3 350.769 3.013 20 50 FGGDHM CC(C)Sc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824338038 607730725 /nfs/dbraw/zinc/73/07/25/607730725.db2.gz NTHBCODKIANVDY-UHFFFAOYSA-N -1 3 354.439 3.124 20 50 FGGDHM CC(C)Sc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824338038 607730727 /nfs/dbraw/zinc/73/07/27/607730727.db2.gz NTHBCODKIANVDY-UHFFFAOYSA-N -1 3 354.439 3.124 20 50 FGGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000826237082 607883426 /nfs/dbraw/zinc/88/34/26/607883426.db2.gz NMEAAFIHIPQMMY-UKTHLTGXSA-N -1 3 364.796 3.374 20 50 FGGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000826237082 607883427 /nfs/dbraw/zinc/88/34/27/607883427.db2.gz NMEAAFIHIPQMMY-UKTHLTGXSA-N -1 3 364.796 3.374 20 50 FGGDHM CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948827 609275183 /nfs/dbraw/zinc/27/51/83/609275183.db2.gz ZYVXGFMASKCCRR-UHFFFAOYSA-N -1 3 374.379 3.313 20 50 FGGDHM CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948827 609275185 /nfs/dbraw/zinc/27/51/85/609275185.db2.gz ZYVXGFMASKCCRR-UHFFFAOYSA-N -1 3 374.379 3.313 20 50 FGGDHM CCc1ccc([C@H](C)CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825703941 607341793 /nfs/dbraw/zinc/34/17/93/607341793.db2.gz AIJFIXZFTFZGSH-CYBMUJFWSA-N -1 3 350.426 3.066 20 50 FGGDHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347787 607713141 /nfs/dbraw/zinc/71/31/41/607713141.db2.gz NQUICFWTSRVJBF-ROUUACIJSA-N -1 3 362.437 3.237 20 50 FGGDHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347787 607713143 /nfs/dbraw/zinc/71/31/43/607713143.db2.gz NQUICFWTSRVJBF-ROUUACIJSA-N -1 3 362.437 3.237 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000826448124 607720124 /nfs/dbraw/zinc/72/01/24/607720124.db2.gz JFESILWHHULODV-MOPGFXCFSA-N -1 3 370.416 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000826448124 607720126 /nfs/dbraw/zinc/72/01/26/607720126.db2.gz JFESILWHHULODV-MOPGFXCFSA-N -1 3 370.416 3.267 20 50 FGGDHM CC(C=NNC(=O)c1cccc(-c2nnn[n-]2)c1)=Cc1ccc(Cl)cc1 ZINC000824385538 607807707 /nfs/dbraw/zinc/80/77/07/607807707.db2.gz WIMOCGGZYOXOTG-QKEQRFSHSA-N -1 3 366.812 3.339 20 50 FGGDHM CC(C=NNC(=O)c1cccc(-c2nn[n-]n2)c1)=Cc1ccc(Cl)cc1 ZINC000824385538 607807708 /nfs/dbraw/zinc/80/77/08/607807708.db2.gz WIMOCGGZYOXOTG-QKEQRFSHSA-N -1 3 366.812 3.339 20 50 FGGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3ccccc3-c3nnn[n-]3)c[nH]c2c1 ZINC000826293630 607884923 /nfs/dbraw/zinc/88/49/23/607884923.db2.gz WOYYPHBCBGIDBZ-NTEUORMPSA-N -1 3 354.373 3.446 20 50 FGGDHM Cc1ccc2c(C(=O)C(C#N)=Cc3ccccc3-c3nn[n-]n3)c[nH]c2c1 ZINC000826293630 607884924 /nfs/dbraw/zinc/88/49/24/607884924.db2.gz WOYYPHBCBGIDBZ-NTEUORMPSA-N -1 3 354.373 3.446 20 50 FGGDHM CC(=Cc1cccc(Cl)c1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823943090 607995200 /nfs/dbraw/zinc/99/52/00/607995200.db2.gz MVDHZSDCBOUESJ-FLIBITNWSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(=Cc1cccc(Cl)c1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823943090 607995201 /nfs/dbraw/zinc/99/52/01/607995201.db2.gz MVDHZSDCBOUESJ-FLIBITNWSA-N -1 3 354.801 3.067 20 50 FGGDHM C=CCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823932052 608214057 /nfs/dbraw/zinc/21/40/57/608214057.db2.gz MAQGYBWSRFKRGR-BOPFTXTBSA-N -1 3 357.373 3.221 20 50 FGGDHM C=CCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823932052 608214059 /nfs/dbraw/zinc/21/40/59/608214059.db2.gz MAQGYBWSRFKRGR-BOPFTXTBSA-N -1 3 357.373 3.221 20 50 FGGDHM CCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825338696 608216162 /nfs/dbraw/zinc/21/61/62/608216162.db2.gz FIRZRMBSMGRLJU-GZTJUZNOSA-N -1 3 359.389 3.445 20 50 FGGDHM CCCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825338696 608216163 /nfs/dbraw/zinc/21/61/63/608216163.db2.gz FIRZRMBSMGRLJU-GZTJUZNOSA-N -1 3 359.389 3.445 20 50 FGGDHM CC(C)COc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824272542 608806864 /nfs/dbraw/zinc/80/68/64/608806864.db2.gz ZYFTVBNMGMAYCP-UHFFFAOYSA-N -1 3 367.413 3.050 20 50 FGGDHM CC(C)COc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824272542 608806867 /nfs/dbraw/zinc/80/68/67/608806867.db2.gz ZYFTVBNMGMAYCP-UHFFFAOYSA-N -1 3 367.413 3.050 20 50 FGGDHM CC(C)COc1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824272328 608806928 /nfs/dbraw/zinc/80/69/28/608806928.db2.gz WCAKDQXTNWOUMZ-UHFFFAOYSA-N -1 3 367.413 3.050 20 50 FGGDHM CC(C)COc1ccccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824272328 608806929 /nfs/dbraw/zinc/80/69/29/608806929.db2.gz WCAKDQXTNWOUMZ-UHFFFAOYSA-N -1 3 367.413 3.050 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824135478 609263150 /nfs/dbraw/zinc/26/31/50/609263150.db2.gz FNXAELKWSJJZFF-MDWZMJQESA-N -1 3 362.437 3.321 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000824135478 609263151 /nfs/dbraw/zinc/26/31/51/609263151.db2.gz FNXAELKWSJJZFF-MDWZMJQESA-N -1 3 362.437 3.321 20 50 FGGDHM O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444399 609518110 /nfs/dbraw/zinc/51/81/10/609518110.db2.gz DXXMFOMIDYRWGV-UHFFFAOYSA-N -1 3 374.360 3.016 20 50 FGGDHM O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444399 609518113 /nfs/dbraw/zinc/51/81/13/609518113.db2.gz DXXMFOMIDYRWGV-UHFFFAOYSA-N -1 3 374.360 3.016 20 50 FGGDHM O=C(NNc1cccc(F)c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826449340 607340192 /nfs/dbraw/zinc/34/01/92/607340192.db2.gz NGPBCCTUKHCQLZ-UHFFFAOYSA-N -1 3 374.379 3.430 20 50 FGGDHM O=C(NNc1cccc(F)c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826449340 607340194 /nfs/dbraw/zinc/34/01/94/607340194.db2.gz NGPBCCTUKHCQLZ-UHFFFAOYSA-N -1 3 374.379 3.430 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cccc2Cl)s1 ZINC000826447209 607352390 /nfs/dbraw/zinc/35/23/90/607352390.db2.gz TZQIYNYJQHXSCC-UHFFFAOYSA-N -1 3 370.825 3.492 20 50 FGGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1ccc(C(F)(F)F)cc1 ZINC000826402421 607391733 /nfs/dbraw/zinc/39/17/33/607391733.db2.gz UBPKATPNMFELOC-YHYXMXQVSA-N -1 3 374.326 3.042 20 50 FGGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccc(C(F)(F)F)cc1 ZINC000826402421 607391735 /nfs/dbraw/zinc/39/17/35/607391735.db2.gz UBPKATPNMFELOC-YHYXMXQVSA-N -1 3 374.326 3.042 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826285541 607405996 /nfs/dbraw/zinc/40/59/96/607405996.db2.gz CEAZHSRZTUBGPA-VCHYOVAHSA-N -1 3 359.389 3.134 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826285541 607405997 /nfs/dbraw/zinc/40/59/97/607405997.db2.gz CEAZHSRZTUBGPA-VCHYOVAHSA-N -1 3 359.389 3.134 20 50 FGGDHM CC(C)[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000824184748 607714904 /nfs/dbraw/zinc/71/49/04/607714904.db2.gz KLHPISPGRYWICM-INIZCTEOSA-N -1 3 370.844 3.403 20 50 FGGDHM CC(C)[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824184748 607714906 /nfs/dbraw/zinc/71/49/06/607714906.db2.gz KLHPISPGRYWICM-INIZCTEOSA-N -1 3 370.844 3.403 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000826448334 607718006 /nfs/dbraw/zinc/71/80/06/607718006.db2.gz QZQKJUMTIXNADL-MOPGFXCFSA-N -1 3 370.416 3.267 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000826448334 607718007 /nfs/dbraw/zinc/71/80/07/607718007.db2.gz QZQKJUMTIXNADL-MOPGFXCFSA-N -1 3 370.416 3.267 20 50 FGGDHM N#CC(=Cc1ccc2ncccc2c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379267 608217283 /nfs/dbraw/zinc/21/72/83/608217283.db2.gz NNHQSVIAWSBNFC-LICLKQGHSA-N -1 3 352.357 3.205 20 50 FGGDHM N#CC(=Cc1ccc2ncccc2c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379267 608217285 /nfs/dbraw/zinc/21/72/85/608217285.db2.gz NNHQSVIAWSBNFC-LICLKQGHSA-N -1 3 352.357 3.205 20 50 FGGDHM CC[C@@H](C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC000825039360 609159522 /nfs/dbraw/zinc/15/95/22/609159522.db2.gz QBXJULPACZOZPY-OAHLLOKOSA-N -1 3 366.400 3.040 20 50 FGGDHM CC[C@@H](C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC000825039360 609159523 /nfs/dbraw/zinc/15/95/23/609159523.db2.gz QBXJULPACZOZPY-OAHLLOKOSA-N -1 3 366.400 3.040 20 50 FGGDHM CC(C)(C)c1ccc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824135537 607335240 /nfs/dbraw/zinc/33/52/40/607335240.db2.gz GCIZWMMFOUXVEH-XFXZXTDPSA-N -1 3 362.437 3.321 20 50 FGGDHM CC(C)(C)c1ccc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824135537 607335241 /nfs/dbraw/zinc/33/52/41/607335241.db2.gz GCIZWMMFOUXVEH-XFXZXTDPSA-N -1 3 362.437 3.321 20 50 FGGDHM O=C(CCSc1ccccc1Cl)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408097 607355384 /nfs/dbraw/zinc/35/53/84/607355384.db2.gz PJZONWKWDLZOSA-UHFFFAOYSA-N -1 3 374.857 3.146 20 50 FGGDHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824757613 607730492 /nfs/dbraw/zinc/73/04/92/607730492.db2.gz YJTYELNKQWBSJC-SNVBAGLBSA-N -1 3 374.857 3.144 20 50 FGGDHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824757613 607730494 /nfs/dbraw/zinc/73/04/94/607730494.db2.gz YJTYELNKQWBSJC-SNVBAGLBSA-N -1 3 374.857 3.144 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2c(cccc2Cl)s1 ZINC000826448768 607730933 /nfs/dbraw/zinc/73/09/33/607730933.db2.gz KQBKUQBLYWIPEJ-UHFFFAOYSA-N -1 3 370.825 3.492 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2c(cccc2Cl)s1 ZINC000826448768 607730935 /nfs/dbraw/zinc/73/09/35/607730935.db2.gz KQBKUQBLYWIPEJ-UHFFFAOYSA-N -1 3 370.825 3.492 20 50 FGGDHM O=C(NN=CCCc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826444604 607888885 /nfs/dbraw/zinc/88/88/85/607888885.db2.gz NAWJWDBTGPBZPU-UHFFFAOYSA-N -1 3 372.791 3.008 20 50 FGGDHM O=C(NN=CCCc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826444604 607888886 /nfs/dbraw/zinc/88/88/86/607888886.db2.gz NAWJWDBTGPBZPU-UHFFFAOYSA-N -1 3 372.791 3.008 20 50 FGGDHM COc1c(C)cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826166811 608214663 /nfs/dbraw/zinc/21/46/63/608214663.db2.gz BXOKVCSACGDHIN-MFOYZWKCSA-N -1 3 359.389 3.282 20 50 FGGDHM COc1c(C)cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826166811 608214665 /nfs/dbraw/zinc/21/46/65/608214665.db2.gz BXOKVCSACGDHIN-MFOYZWKCSA-N -1 3 359.389 3.282 20 50 FGGDHM CC(C)Oc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333847 608216096 /nfs/dbraw/zinc/21/60/96/608216096.db2.gz OAILOHFMNSIJPY-MFOYZWKCSA-N -1 3 359.389 3.444 20 50 FGGDHM CC(C)Oc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824333847 608216098 /nfs/dbraw/zinc/21/60/98/608216098.db2.gz OAILOHFMNSIJPY-MFOYZWKCSA-N -1 3 359.389 3.444 20 50 FGGDHM CC(C)(C)c1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824136008 608800286 /nfs/dbraw/zinc/80/02/86/608800286.db2.gz LVYQJNWBVVBRDJ-UHFFFAOYSA-N -1 3 351.414 3.313 20 50 FGGDHM CC(C)(C)c1ccccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824136008 608800287 /nfs/dbraw/zinc/80/02/87/608800287.db2.gz LVYQJNWBVVBRDJ-UHFFFAOYSA-N -1 3 351.414 3.313 20 50 FGGDHM CC(=CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000823944146 607337025 /nfs/dbraw/zinc/33/70/25/607337025.db2.gz YSFUZFHLONIUBE-FLIBITNWSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(=CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000823944146 607337027 /nfs/dbraw/zinc/33/70/27/607337027.db2.gz YSFUZFHLONIUBE-FLIBITNWSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(C)c1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c2ccccc2n1 ZINC000824342035 607352136 /nfs/dbraw/zinc/35/21/36/607352136.db2.gz JMFXPWVEWBSSOZ-UHFFFAOYSA-N -1 3 373.420 3.295 20 50 FGGDHM Cc1nc(C2CCCC2)sc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826324136 607353161 /nfs/dbraw/zinc/35/31/61/607353161.db2.gz GATIHVOIBXRUFB-UHFFFAOYSA-N -1 3 369.454 3.046 20 50 FGGDHM O=C(CCCCCc1cccs1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406041 607354336 /nfs/dbraw/zinc/35/43/36/607354336.db2.gz FOJGMSHDQUVYNW-UHFFFAOYSA-N -1 3 356.455 3.174 20 50 FGGDHM CC[C@H](C)[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825051022 607356469 /nfs/dbraw/zinc/35/64/69/607356469.db2.gz MZTZREMBRUNODO-GUYCJALGSA-N -1 3 350.426 3.140 20 50 FGGDHM CCCc1sc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1CC ZINC000825352814 607717063 /nfs/dbraw/zinc/71/70/63/607717063.db2.gz QTIUCLYMEKIFMN-UHFFFAOYSA-N -1 3 356.455 3.200 20 50 FGGDHM CCCc1sc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1CC ZINC000825352814 607717065 /nfs/dbraw/zinc/71/70/65/607717065.db2.gz QTIUCLYMEKIFMN-UHFFFAOYSA-N -1 3 356.455 3.200 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2F)o1 ZINC000826449017 607723744 /nfs/dbraw/zinc/72/37/44/607723744.db2.gz XXLNICYLRCQSMN-UHFFFAOYSA-N -1 3 364.340 3.023 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2F)o1 ZINC000826449017 607723745 /nfs/dbraw/zinc/72/37/45/607723745.db2.gz XXLNICYLRCQSMN-UHFFFAOYSA-N -1 3 364.340 3.023 20 50 FGGDHM C[C@@H]1CC[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824919312 607782354 /nfs/dbraw/zinc/78/23/54/607782354.db2.gz TVMAMARYWVWNIT-SJKOYZFVSA-N -1 3 363.425 3.131 20 50 FGGDHM C[C@@H]1CC[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824919312 607782355 /nfs/dbraw/zinc/78/23/55/607782355.db2.gz TVMAMARYWVWNIT-SJKOYZFVSA-N -1 3 363.425 3.131 20 50 FGGDHM CCCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825341578 608216156 /nfs/dbraw/zinc/21/61/56/608216156.db2.gz FNKQVPPAPMXPPA-YVLHZVERSA-N -1 3 359.389 3.445 20 50 FGGDHM CCCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825341578 608216157 /nfs/dbraw/zinc/21/61/57/608216157.db2.gz FNKQVPPAPMXPPA-YVLHZVERSA-N -1 3 359.389 3.445 20 50 FGGDHM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000826299080 608873743 /nfs/dbraw/zinc/87/37/43/608873743.db2.gz QGKDFYVHBIGBKW-ZSOIEALJSA-N -1 3 362.368 3.168 20 50 FGGDHM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000826299080 608873746 /nfs/dbraw/zinc/87/37/46/608873746.db2.gz QGKDFYVHBIGBKW-ZSOIEALJSA-N -1 3 362.368 3.168 20 50 FGGDHM CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948513 609158907 /nfs/dbraw/zinc/15/89/07/609158907.db2.gz QDQKZTCMMMPSRD-UHFFFAOYSA-N -1 3 374.379 3.313 20 50 FGGDHM CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948513 609158909 /nfs/dbraw/zinc/15/89/09/609158909.db2.gz QDQKZTCMMMPSRD-UHFFFAOYSA-N -1 3 374.379 3.313 20 50 FGGDHM CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825051459 609160845 /nfs/dbraw/zinc/16/08/45/609160845.db2.gz PZCLKGZVBSEZEE-BDAKNGLRSA-N -1 3 356.352 3.011 20 50 FGGDHM CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825051459 609160846 /nfs/dbraw/zinc/16/08/46/609160846.db2.gz PZCLKGZVBSEZEE-BDAKNGLRSA-N -1 3 356.352 3.011 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824135058 609176892 /nfs/dbraw/zinc/17/68/92/609176892.db2.gz ALPYQAFXCNLQJA-UHFFFAOYSA-N -1 3 364.453 3.240 20 50 FGGDHM CC(C)(C)c1ccc(NNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824135058 609176894 /nfs/dbraw/zinc/17/68/94/609176894.db2.gz ALPYQAFXCNLQJA-UHFFFAOYSA-N -1 3 364.453 3.240 20 50 FGGDHM CC1(C)CC[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000824797189 609416507 /nfs/dbraw/zinc/41/65/07/609416507.db2.gz WYNQTQOHTSWKIO-SECBINFHSA-N -1 3 368.363 3.155 20 50 FGGDHM CC1(C)CC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000824797189 609416509 /nfs/dbraw/zinc/41/65/09/609416509.db2.gz WYNQTQOHTSWKIO-SECBINFHSA-N -1 3 368.363 3.155 20 50 FGGDHM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000824039999 607336653 /nfs/dbraw/zinc/33/66/53/607336653.db2.gz KJOUCDBRHLHPGC-CYBMUJFWSA-N -1 3 358.405 3.267 20 50 FGGDHM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000824039999 607336654 /nfs/dbraw/zinc/33/66/54/607336654.db2.gz KJOUCDBRHLHPGC-CYBMUJFWSA-N -1 3 358.405 3.267 20 50 FGGDHM CC(=CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000823944145 607336951 /nfs/dbraw/zinc/33/69/51/607336951.db2.gz YSFUZFHLONIUBE-DHZHZOJOSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(=CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000823944145 607336953 /nfs/dbraw/zinc/33/69/53/607336953.db2.gz YSFUZFHLONIUBE-DHZHZOJOSA-N -1 3 354.801 3.067 20 50 FGGDHM C[C@@H](Sc1ccccc1Cl)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824764375 607347947 /nfs/dbraw/zinc/34/79/47/607347947.db2.gz VSHXQLLKJBMXKS-SNVBAGLBSA-N -1 3 374.857 3.144 20 50 FGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2cc(Cl)ccc2o1 ZINC000826448816 607723557 /nfs/dbraw/zinc/72/35/57/607723557.db2.gz NCOVXMWYQMVTPW-UHFFFAOYSA-N -1 3 354.757 3.023 20 50 FGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2cc(Cl)ccc2o1 ZINC000826448816 607723558 /nfs/dbraw/zinc/72/35/58/607723558.db2.gz NCOVXMWYQMVTPW-UHFFFAOYSA-N -1 3 354.757 3.023 20 50 FGGDHM CCc1ccc(-c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000825700469 607732906 /nfs/dbraw/zinc/73/29/06/607732906.db2.gz GWSVPOLYWBJKSZ-UHFFFAOYSA-N -1 3 374.404 3.446 20 50 FGGDHM CCc1ccc(-c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000825700469 607732908 /nfs/dbraw/zinc/73/29/08/607732908.db2.gz GWSVPOLYWBJKSZ-UHFFFAOYSA-N -1 3 374.404 3.446 20 50 FGGDHM CC(=Cc1ccccc1Cl)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823942372 607908159 /nfs/dbraw/zinc/90/81/59/607908159.db2.gz CQNGXAFGEBBXHI-LUAWRHEFSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(=Cc1ccccc1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823942372 607908160 /nfs/dbraw/zinc/90/81/60/607908160.db2.gz CQNGXAFGEBBXHI-LUAWRHEFSA-N -1 3 354.801 3.067 20 50 FGGDHM CC(C)Cc1ccc([C@@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280570 608074412 /nfs/dbraw/zinc/07/44/12/608074412.db2.gz OXDPLOBXTWSZSP-CQSZACIVSA-N -1 3 364.453 3.312 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826285509 608184079 /nfs/dbraw/zinc/18/40/79/608184079.db2.gz BNCSXYDRAUJVHN-YFEUJDIGSA-N -1 3 359.389 3.387 20 50 FGGDHM Cc1ccc(C=C(C#N)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826285509 608184080 /nfs/dbraw/zinc/18/40/80/608184080.db2.gz BNCSXYDRAUJVHN-YFEUJDIGSA-N -1 3 359.389 3.387 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379344 608288595 /nfs/dbraw/zinc/28/85/95/608288595.db2.gz PLAMMBNANJKYOR-KPKJPENVSA-N -1 3 353.744 3.449 20 50 FGGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826379344 608288597 /nfs/dbraw/zinc/28/85/97/608288597.db2.gz PLAMMBNANJKYOR-KPKJPENVSA-N -1 3 353.744 3.449 20 50 FGGDHM Cc1cc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000826261954 608386803 /nfs/dbraw/zinc/38/68/03/608386803.db2.gz ZQRGBJCUBVFVEN-VGOFMYFVSA-N -1 3 350.313 3.287 20 50 FGGDHM Cc1cc(C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000826261954 608386804 /nfs/dbraw/zinc/38/68/04/608386804.db2.gz ZQRGBJCUBVFVEN-VGOFMYFVSA-N -1 3 350.313 3.287 20 50 FGGDHM CCCOc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000825339234 608808200 /nfs/dbraw/zinc/80/82/00/608808200.db2.gz SPTDNOXSXOYIEN-UHFFFAOYSA-N -1 3 367.413 3.113 20 50 FGGDHM CCCOc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000825339234 608808201 /nfs/dbraw/zinc/80/82/01/608808201.db2.gz SPTDNOXSXOYIEN-UHFFFAOYSA-N -1 3 367.413 3.113 20 50 FGGDHM CC[C@H](C)[C@@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825051460 609160806 /nfs/dbraw/zinc/16/08/06/609160806.db2.gz PZCLKGZVBSEZEE-DTWKUNHWSA-N -1 3 356.352 3.011 20 50 FGGDHM CC[C@H](C)[C@@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825051460 609160808 /nfs/dbraw/zinc/16/08/08/609160808.db2.gz PZCLKGZVBSEZEE-DTWKUNHWSA-N -1 3 356.352 3.011 20 50 FGGDHM Cc1ccc(-c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)s2)o1 ZINC000826273602 609416811 /nfs/dbraw/zinc/41/68/11/609416811.db2.gz LYARYUKHYBEXMY-UHFFFAOYSA-N -1 3 366.406 3.254 20 50 FGGDHM Cc1ccc(-c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)s2)o1 ZINC000826273602 609416813 /nfs/dbraw/zinc/41/68/13/609416813.db2.gz LYARYUKHYBEXMY-UHFFFAOYSA-N -1 3 366.406 3.254 20 50 FGGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccc(Cl)cc1 ZINC000826446805 609498772 /nfs/dbraw/zinc/49/87/72/609498772.db2.gz ZAWWAMAHWBAJFB-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccc(Cl)cc1 ZINC000826446805 609498774 /nfs/dbraw/zinc/49/87/74/609498774.db2.gz ZAWWAMAHWBAJFB-UHFFFAOYSA-N -1 3 364.196 3.322 20 50 FGGDHM